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root/group/trunk/SHAPES/samples/ethylBenzene.pdb
Revision: 1310
Committed: Fri Jun 25 20:11:44 2004 UTC (20 years, 11 months ago) by chrisfen
File size: 1775 byte(s)
Log Message:
Added 2 new samples

File Contents

# User Rev Content
1 chrisfen 1310 HEADER PROTEIN
2     COMPND ethylBenzene.pdb
3     AUTHOR GENERATED BY BABEL 1.6
4     ATOM 1 C UNK 1 0.050 0.872 -1.366 1.00 0.00
5     ATOM 2 C UNK 1 0.414 0.564 -0.054 1.00 0.00
6     ATOM 3 C UNK 1 -0.455 -0.185 0.741 1.00 0.00
7     ATOM 4 H UNK 1 -0.175 -0.431 1.772 1.00 0.00
8     ATOM 5 C UNK 1 -1.672 -0.619 0.229 1.00 0.00
9     ATOM 6 C UNK 1 1.726 1.028 0.491 1.00 0.00
10     ATOM 7 C UNK 1 2.832 0.046 0.165 1.00 0.00
11     ATOM 8 H UNK 1 1.653 1.167 1.588 1.00 0.00
12     ATOM 9 H UNK 1 1.971 2.027 0.078 1.00 0.00
13     ATOM 10 H UNK 1 0.730 1.459 -1.994 1.00 0.00
14     ATOM 11 C UNK 1 -2.031 -0.309 -1.078 1.00 0.00
15     ATOM 12 H UNK 1 -2.350 -1.205 0.858 1.00 0.00
16     ATOM 13 C UNK 1 -1.168 0.437 -1.875 1.00 0.00
17     ATOM 14 H UNK 1 -1.448 0.682 -2.904 1.00 0.00
18     ATOM 15 H UNK 1 -2.990 -0.651 -1.480 1.00 0.00
19     ATOM 16 H UNK 1 3.796 0.389 0.560 1.00 0.00
20     ATOM 17 H UNK 1 2.947 -0.086 -0.919 1.00 0.00
21     ATOM 18 H UNK 1 2.632 -0.944 0.595 1.00 0.00
22     CONECT 1 2 10 13
23     CONECT 2 1 3 6
24     CONECT 3 2 4 5
25     CONECT 4 3
26     CONECT 5 3 11 12
27     CONECT 6 2 7 8 9
28     CONECT 7 6 16 17 18
29     CONECT 8 6
30     CONECT 9 6
31     CONECT 10 1
32     CONECT 11 5 13 15
33     CONECT 12 5
34     CONECT 13 1 11 14
35     CONECT 14 13
36     CONECT 15 11
37     CONECT 16 7
38     CONECT 17 7
39     CONECT 18 7
40     MASTER 0 0 0 0 0 0 0 0 18 0 18 0
41     END