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c12c1im.zmat
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c12c1im.zmat
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c12c1im+
1 NA
2 CR 1 1.315
3 NA 2 1.315 1 109.8
4 CW 3 1.378 2 108.0 1 0.0
5 CW 4 1.341 3 107.1 2 0.0
6 C1 1 1.466 5 125.6 4 180.0
7 HCR 2 1.080 1 125.1 3 180.0
8 C1A 3 1.466 2 126.3 1 180.0
9 HCW 4 1.080 3 126.45 2 180.0
10 HCW 5 1.080 4 126.45 3 180.0
11 H1 6 1.090 1 109.5 5 60.0
12 H1 6 1.090 1 109.5 5 180.0
13 H1 6 1.090 1 109.5 5 300.0
14 C2 8 1.529 3 109.5 4 180.0
15 H1 8 1.090 3 109.5 14 120.0
16 H1 8 1.090 3 109.5 14 240.0
17 CS 14 1.529 8 109.5 3 180.0
18 HC 14 1.090 8 109.5 17 120.0
19 HC 14 1.090 8 109.5 17 240.0
20 CS 17 1.529 14 109.5 8 180.0
21 HC 17 1.090 14 109.5 8 60.0
22 HC 17 1.090 14 109.5 8 300.0
23 CS 20 1.529 17 109.5 14 180.0
24 HC 20 1.090 17 109.5 14 60.0
25 HC 20 1.090 17 109.5 14 300.0
26 CS 23 1.529 20 109.5 17 180.0
27 HC 23 1.090 20 109.5 17 60.0
28 HC 23 1.090 20 109.5 17 300.0
29 CS 26 1.529 23 109.5 20 180.0
30 HC 26 1.090 23 109.5 20 60.0
31 HC 26 1.090 23 109.5 20 300.0
32 CS 29 1.529 26 109.5 23 180.0
33 HC 29 1.090 26 109.5 23 60.0
34 HC 29 1.090 26 109.5 23 300.0
35 CS 32 1.529 29 109.5 26 180.0
36 HC 32 1.090 29 109.5 26 60.0
37 HC 32 1.090 29 109.5 26 300.0
38 CS 35 1.529 32 109.5 29 180.0
39 HC 35 1.090 32 109.5 29 60.0
40 HC 35 1.090 32 109.5 29 300.0
41 CS 38 1.529 35 109.5 32 180.0
42 HC 38 1.090 35 109.5 32 60.0
43 HC 38 1.090 35 109.5 32 300.0
44 CT 41 1.529 38 109.5 35 180.0
45 HC 41 1.090 38 109.5 35 60.0
46 HC 41 1.090 38 109.5 35 300.0
47 HC 44 1.090 41 109.5 38 180.0
48 HC 44 1.090 41 109.5 38 60.0
49 HC 44 1.090 41 109.5 38 300.0
connect 5 1
improper 5 2 1 6
improper 1 3 2 7
improper 2 4 3 8
improper 3 5 4 9
improper 4 1 5 10
il.ff