Mercurial > repos > marcel > caddsuite_mac10_6

comparison CADDSuite-1.1/data/OpenBabel/templates.sdf @ 6:decca54699e3

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Uploaded Version 1.1
author marcel
date Thu, 12 Jan 2012 11:07:03 -0500
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5:e30a41af9d2b 6:decca54699e3
1
2 ACD/Labs10200816283D
3
4 10 12 0 0 0 0 0 0 0 0 1 V2000
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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