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c4c1im.zmat
37 lines (33 loc) · 1.09 KB
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c4c1im.zmat
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c4c1im+
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 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 CT 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 HC 20 1.090 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
connect 5 1
improper 2 5 1 6
improper 1 3 2 7
improper 2 4 3 8
improper 3 5 4 9
improper 1 4 5 10
il.ff