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c3c1pyrr.zmat
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c3c1pyrr.zmat
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c3c1pyrr+
1 N4
2 C1A 1 1.471
3 C1A 1 1.471 2 109.5
4 C2 2 1.529 1 109.5 3 0.0
5 C2 3 1.529 1 109.5 2 0.0
6 C1 1 1.471 2 109.5 3 120.0
7 C1A 1 1.471 2 109.5 3 240.0
8 H1 2 1.090 1 109.5 6 0.0
9 H1 2 1.090 1 109.5 7 0.0
10 H1 3 1.090 1 109.5 6 0.0
11 H1 3 1.090 1 109.5 7 0.0
12 HC 4 1.090 2 110.7 8 0.0
13 HC 4 1.090 2 110.7 9 0.0
14 HC 5 1.090 3 110.7 10 0.0
15 HC 5 1.090 3 110.7 11 0.0
16 H1 6 1.090 1 109.5 2 60.0
17 H1 6 1.090 1 109.5 16 120.0
18 H1 6 1.090 1 109.5 16 240.0
19 H1 7 1.090 1 109.5 3 60.0
20 H1 7 1.090 1 109.5 19 120.0
21 C2 7 1.529 1 109.5 19 240.0
22 HC 21 1.090 7 109.5 1 60.0
23 HC 21 1.090 7 109.5 1 300.0
24 CT 21 1.529 7 109.5 1 180.0
25 HC 24 1.090 21 109.5 7 60.0
26 HC 24 1.090 21 109.5 7 300.0
27 HC 24 1.090 21 109.5 7 180.0
connect 5 4
il.ff