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source: Tutorials/RigidBody/data/regularized.pdb @ 4625

Last change on this file since 4625 was 4574, checked in by toby, 22 months ago
new tutorial; not indexed yet
File size: 4.6 KB

Line
1	COMPND UNNAMED
2	AUTHOR GENERATED BY OPEN BABEL 2.3.90
3	HETATM 1 C UNL 1 0.731 1.061 -1.236 1.00 0.00 C
4	HETATM 2 C UNL 1 2.914 0.097 -0.946 1.00 0.00 C
5	HETATM 3 C UNL 1 0.129 -0.177 -0.951 1.00 0.00 C
6	HETATM 4 C UNL 1 2.327 -1.134 -0.669 1.00 0.00 C
7	HETATM 5 C UNL 1 -1.381 -0.319 -0.935 1.00 0.00 C
8	HETATM 6 C UNL 1 2.122 1.201 -1.234 1.00 0.00 C
9	HETATM 7 C UNL 1 -2.089 -0.000 0.417 1.00 0.00 C
10	HETATM 8 C UNL 1 0.947 -1.283 -0.673 1.00 0.00 C
11	HETATM 9 C UNL 1 -1.933 1.506 0.729 1.00 0.00 C
12	HETATM 10 C UNL 1 -3.591 -0.292 0.254 1.00 0.00 C
13	HETATM 11 N UNL 1 -2.129 -0.717 2.799 1.00 0.00 N
14	HETATM 12 N UNL 1 -1.491 -0.855 1.505 1.00 0.00 N
15	HETATM 13 O UNL 1 3.112 -2.214 -0.382 1.00 0.00 O
16	HETATM 14 O UNL 1 4.279 0.172 -0.924 1.00 0.00 O
17	HETATM 15 O UNL 1 -2.067 2.407 -0.089 1.00 0.00 O
18	HETATM 16 O UNL 1 -1.678 1.756 2.037 1.00 0.00 O
19	HETATM 17 H UNL 1 0.517 -2.258 -0.458 1.00 0.00 H
20	HETATM 18 H UNL 1 2.557 2.170 -1.456 1.00 0.00 H
21	HETATM 19 H UNL 1 0.116 1.932 -1.465 1.00 0.00 H
22	HETATM 20 H UNL 1 -1.628 -1.345 -1.241 1.00 0.00 H
23	HETATM 21 H UNL 1 -1.789 0.319 -1.732 1.00 0.00 H
24	HETATM 22 H UNL 1 -4.002 0.244 -0.610 1.00 0.00 H
25	HETATM 23 H UNL 1 -4.170 0.035 1.126 1.00 0.00 H
26	HETATM 24 H UNL 1 -3.777 -1.361 0.100 1.00 0.00 H
27	HETATM 25 H UNL 1 -1.645 -1.308 3.493 1.00 0.00 H
28	HETATM 26 H UNL 1 -3.072 -1.135 2.782 1.00 0.00 H
29	HETATM 27 H UNL 1 -0.475 -0.678 1.535 1.00 0.00 H
30	HETATM 28 H UNL 1 4.027 -1.874 -0.452 1.00 0.00 H
31	HETATM 29 H UNL 1 4.532 1.085 -1.144 1.00 0.00 H
32	HETATM 30 H UNL 1 -1.717 0.877 2.504 1.00 0.00 H
33	CONECT 1 19 6 3
34	CONECT 2 6 14 4
35	CONECT 3 1 5 8
36	CONECT 4 2 8 13
37	CONECT 5 21 20 3 7
38	CONECT 6 18 1 2
39	CONECT 7 5 10 9 12
40	CONECT 8 3 4 17
41	CONECT 9 15 7 16
42	CONECT 10 22 24 7 23
43	CONECT 11 12 26 25
44	CONECT 12 7 27 11
45	CONECT 13 4 28
46	CONECT 14 29 2
47	CONECT 15 9
48	CONECT 16 9 30
49	CONECT 17 8
50	CONECT 18 6
51	CONECT 19 1
52	CONECT 20 5
53	CONECT 21 5
54	CONECT 22 10
55	CONECT 23 10
56	CONECT 24 10
57	CONECT 25 11
58	CONECT 26 11
59	CONECT 27 12
60	CONECT 28 13
61	CONECT 29 14
62	CONECT 30 16
63	MASTER 0 0 0 0 0 0 0 0 30 0 30 0
64	END

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