Mercurial > repos > deepakjadmin > mayatool3_test2
comparison data/caffeine.mol @ 0:4816e4a8ae95 draft default tip
Uploaded
| author | deepakjadmin |
|---|---|
| date | Wed, 20 Jan 2016 09:23:18 -0500 |
| parents | |
| children |
comparison
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| -1:000000000000 | 0:4816e4a8ae95 |
|---|---|
| 1 caffeine | |
| 2 MayaChem07151112042D | |
| 3 | |
| 4 14 15 0 0 0 0 0 0 0 0999 V2000 | |
| 5 2.6792 -10.5917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 | |
| 6 2.6792 -11.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7 3.3912 -11.8250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 | |
| 8 3.3912 -10.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9 4.8813 -11.6704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10 5.3669 -11.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11 4.8859 -10.3403 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 | |
| 12 4.1032 -10.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13 4.1003 -11.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 14 5.1435 -9.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 15 3.3912 -9.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 16 1.9635 -10.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 17 1.9653 -11.8302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 18 3.3932 -12.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 19 1 4 1 0 0 0 0 | |
| 20 2 3 1 0 0 0 0 | |
| 21 3 9 1 0 0 0 0 | |
| 22 5 6 2 0 0 0 0 | |
| 23 7 8 1 0 0 0 0 | |
| 24 9 5 1 0 0 0 0 | |
| 25 8 4 1 0 0 0 0 | |
| 26 7 10 1 0 0 0 0 | |
| 27 8 9 2 0 0 0 0 | |
| 28 4 11 2 0 0 0 0 | |
| 29 1 12 1 0 0 0 0 | |
| 30 1 2 1 0 0 0 0 | |
| 31 2 13 2 0 0 0 0 | |
| 32 6 7 1 0 0 0 0 | |
| 33 3 14 1 0 0 0 0 | |
| 34 M END |