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test_cycle.pdb

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Candidate_v1.6.1

Last change on this file was 5e17bf, checked in by Frederik Heber <frederik.heber@…>, 8 years ago

Added test in RotateAroundBondAction whether given bond is cyclic.

File size: 2.9 KB

Line
1	REMARK created by molecuilder on Tue Feb 19 10:09:37 2013, time step 0
2	ATOM 1 C01 0non 01 1.816 -1.445 0.001 0.00 0.00 C 0
3	ATOM 2 C02 0non 01 0.511 -0.691 0.002 0.00 0.00 C 0
4	ATOM 3 C03 0non 01 0.511 0.691 0.000 0.00 0.00 C 0
5	ATOM 4 C04 0non 01 -0.686 -1.382 -0.002 0.00 0.00 C 0
6	ATOM 5 C05 0non 01 1.816 1.445 -0.002 0.00 0.00 C 0
7	ATOM 6 C06 0non 01 -0.686 1.382 0.000 0.00 0.00 C 0
8	ATOM 7 C07 0non 01 -1.883 -0.691 -0.001 0.00 0.00 C 0
9	ATOM 8 C08 0non 01 -1.883 0.691 0.002 0.00 0.00 C 0
10	ATOM 9 H01 0non 01 2.132 -1.625 1.029 0.00 0.00 H 0
11	ATOM 10 H02 0non 01 1.685 -2.398 -0.511 0.00 0.00 H 0
12	ATOM 11 H03 0non 01 2.575 -0.856 -0.514 0.00 0.00 H 0
13	ATOM 12 H04 0non 01 -0.686 -2.462 -0.005 0.00 0.00 H 0
14	ATOM 13 H05 0non 01 2.130 1.625 -1.030 0.00 0.00 H 0
15	ATOM 14 H06 0non 01 1.686 2.398 0.511 0.00 0.00 H 0
16	ATOM 15 H07 0non 01 2.576 0.856 0.512 0.00 0.00 H 0
17	ATOM 16 H08 0non 01 -0.686 2.462 -0.001 0.00 0.00 H 0
18	ATOM 17 H09 0non 01 -2.819 -1.231 -0.005 0.00 0.00 H 0
19	ATOM 18 H10 0non 01 -2.819 1.231 0.003 0.00 0.00 H 0
20	CONECT 1 2 9 10 11
21	CONECT 2 1 3 4
22	CONECT 3 2 5 6
23	CONECT 4 2 7 12
24	CONECT 5 3 13 14 15
25	CONECT 6 3 8 16
26	CONECT 7 4 8 17
27	CONECT 8 6 7 18
28	CONECT 9 1
29	CONECT 10 1
30	CONECT 11 1
31	CONECT 12 4
32	CONECT 13 5
33	CONECT 14 5
34	CONECT 15 5
35	CONECT 16 6
36	CONECT 17 7
37	CONECT 18 8
38	END

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