Mercurial > repos > marcel > caddsuite_linux_x86_64
comparison 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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| 14:55c32b55c2c2 | 15:ac342506cd4e |
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| 1 | |
| 2 ACD/Labs10200816283D | |
| 3 | |
| 4 10 12 0 0 0 0 0 0 0 0 1 V2000 | |
| 5 11.7466 -9.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6 11.0827 -10.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7 11.4479 -11.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8 12.8589 -12.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9 14.3767 -11.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10 14.5800 -10.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11 13.9565 -9.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12 12.8891 -8.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13 12.5532 -9.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 14 12.4814 -11.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 15 1 8 1 0 0 0 0 | |
| 16 1 2 2 0 0 0 0 | |
| 17 2 3 1 0 0 0 0 | |
| 18 3 5 1 0 0 0 0 | |
| 19 3 4 1 0 0 0 0 | |
| 20 4 10 1 0 0 0 0 | |
| 21 4 5 1 0 0 0 0 | |
| 22 5 6 1 0 0 0 0 | |
| 23 6 7 2 0 0 0 0 | |
| 24 7 8 1 0 0 0 0 | |
| 25 8 9 1 0 0 0 0 | |
| 26 9 10 2 0 0 0 0 | |
| 27 M END |