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c8c1im.zmat
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c8c1im.zmat
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c8c1im+
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 CT 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 HC 32 1.090 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
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