Mercurial > repos > marcel > caddsuite_linux_x86_64
diff CADDSuite-1.5/data/OpenBabel/templates.sdf @ 15:ac342506cd4e draft
CADDSuite version 1.5
| author | Marcel Schumann <schumann.marcel@gmail.com> |
|---|---|
| date | Tue, 24 Jul 2012 11:08:49 -0400 |
| parents | |
| children |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/CADDSuite-1.5/data/OpenBabel/templates.sdf Tue Jul 24 11:08:49 2012 -0400 @@ -0,0 +1,27 @@ + + ACD/Labs10200816283D + + 10 12 0 0 0 0 0 0 0 0 1 V2000 + 11.7466 -9.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.0827 -10.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4479 -11.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.8589 -12.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.3767 -11.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.5800 -10.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.9565 -9.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.8891 -8.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5532 -9.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4814 -11.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 8 1 0 0 0 0 + 1 2 2 0 0 0 0 + 2 3 1 0 0 0 0 + 3 5 1 0 0 0 0 + 3 4 1 0 0 0 0 + 4 10 1 0 0 0 0 + 4 5 1 0 0 0 0 + 5 6 1 0 0 0 0 + 6 7 2 0 0 0 0 + 7 8 1 0 0 0 0 + 8 9 1 0 0 0 0 + 9 10 2 0 0 0 0 +M END