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c4c4im.zmat
46 lines (42 loc) · 1.49 KB
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c4c4im.zmat
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c4c4im+
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 C1 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 C2 8 1.529 3 109.5 4 180.0
12 H1 8 1.090 3 109.5 11 120.0
13 H1 8 1.090 3 109.5 11 240.0
14 CS 11 1.529 8 109.5 3 180.0
15 HC 11 1.090 8 109.5 14 120.0
16 HC 11 1.090 8 109.5 14 240.0
17 CT 14 1.529 11 109.5 8 180.0
18 HC 14 1.090 11 109.5 8 60.0
19 HC 14 1.090 11 109.5 8 300.0
20 HC 17 1.090 14 109.5 11 180.0
21 HC 17 1.090 14 109.5 11 60.0
22 HC 17 1.090 14 109.5 11 300.0
23 C2 6 1.529 1 109.5 5 180.0
24 H1 6 1.090 1 109.5 23 120.0
25 H1 6 1.090 1 109.5 23 240.0
26 CS 23 1.529 6 109.5 1 180.0
27 HC 23 1.090 6 109.5 26 120.0
28 HC 23 1.090 6 109.5 26 240.0
29 CT 26 1.529 23 109.5 6 180.0
30 HC 26 1.090 23 109.5 29 120.0
31 HC 26 1.090 23 109.5 29 240.0
32 HC 29 1.090 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
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