ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
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

# Content
1 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