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root/group/trunk/SHAPES/samples/toluene.pdb
Revision: 1310
Committed: Fri Jun 25 20:11:44 2004 UTC (20 years ago) by chrisfen
File size: 1500 byte(s)
Log Message:
Added 2 new samples

File Contents

# User Rev Content
1 chrisfen 1310 HEADER PROTEIN
2     COMPND toluene.pdb
3     AUTHOR GENERATED BY BABEL 1.6
4     ATOM 1 C UNK 1 0.948 1.179 -0.162 1.00 0.00
5     ATOM 2 C UNK 1 0.899 -0.207 0.007 1.00 0.00
6     ATOM 3 C UNK 1 -0.339 -0.845 0.085 1.00 0.00
7     ATOM 4 H UNK 1 -0.387 -1.932 0.217 1.00 0.00
8     ATOM 5 C UNK 1 -1.514 -0.105 -0.005 1.00 0.00
9     ATOM 6 C UNK 1 2.162 -0.983 0.102 1.00 0.00
10     ATOM 7 H UNK 1 1.982 -2.058 0.232 1.00 0.00
11     ATOM 8 H UNK 1 2.766 -0.642 0.953 1.00 0.00
12     ATOM 9 H UNK 1 2.768 -0.855 -0.805 1.00 0.00
13     ATOM 10 H UNK 1 1.919 1.682 -0.223 1.00 0.00
14     ATOM 11 C UNK 1 -1.459 1.274 -0.174 1.00 0.00
15     ATOM 12 H UNK 1 -2.482 -0.611 0.056 1.00 0.00
16     ATOM 13 C UNK 1 -0.227 1.915 -0.252 1.00 0.00
17     ATOM 14 H UNK 1 -0.182 3.001 -0.384 1.00 0.00
18     ATOM 15 H UNK 1 -2.384 1.855 -0.245 1.00 0.00
19     CONECT 1 2 10 13
20     CONECT 2 1 3 6
21     CONECT 3 2 4 5
22     CONECT 4 3
23     CONECT 5 3 11 12
24     CONECT 6 2 7 8 9
25     CONECT 7 6
26     CONECT 8 6
27     CONECT 9 6
28     CONECT 10 1
29     CONECT 11 5 13 15
30     CONECT 12 5
31     CONECT 13 1 11 14
32     CONECT 14 13
33     CONECT 15 11
34     MASTER 0 0 0 0 0 0 0 0 15 0 15 0
35     END