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root/freemol/trunk/smi23d/src/mengine/caffeine.sdf
Revision: 3
Committed: Mon Jun 9 21:38:26 2008 UTC (11 years, 11 months ago) by tjod
File size: 1434 byte(s)
Log Message:
test

Line User Rev File contents
1 tjod 3 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
2     Marvin 06170210222D
3    
4     14 15 0 0 0 0 999 V2000
5     -1.6702 -2.1687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6     -1.6702 -0.8338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7     -1.4154 -0.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8     -1.1853 -1.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9     -3.1693 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10     -4.5982 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11     -3.8838 -1.9137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12     -3.1693 -3.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13     -2.4548 -1.9137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14     -2.4548 -1.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15     -3.1693 0.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16     -4.5982 -2.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17     -3.8838 -1.0888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
18     -3.1693 -2.3263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
19     5 13 1 0 0 0 0
20     13 7 1 0 0 0 0
21     7 14 1 0 0 0 0
22     14 9 1 0 0 0 0
23     9 10 2 0 0 0 0
24     5 10 1 0 0 0 0
25     4 2 1 0 0 0 0
26     2 10 1 0 0 0 0
27     9 1 1 0 0 0 0
28     4 1 2 0 0 0 0
29     2 3 1 0 0 0 0
30     5 11 2 0 0 0 0
31     13 6 1 0 0 0 0
32     7 12 2 0 0 0 0
33     14 8 1 0 0 0 0
34     M END
35     $$$$

Properties

Name Value
svn:executable *