ATOM 13
1 C8x C 24.6751 -19.7267
2 C8x C 24.6751 -21.1280
3 C8x C 25.8925 -21.8250
4 C8x C 25.8925 -19.0225
5 C8y C 27.1026 -19.7267
6 C8y C 27.1042 -21.1290
7 N4x N 28.4387 -21.5586
8 C8y C 29.2644 -20.4219
9 C8y C 28.4361 -19.2941
10 S2a S 30.6531 -20.4167
11 C1a C 31.3502 -21.6278
12 C4a C 28.8564 -17.9898
13 O4a O 30.2094 -17.6987
BOND 14
1 3 6 1
2 5 4 1
3 5 6 2
4 6 7 1
5 7 8 1
6 8 9 2
7 9 5 1
8 4 1 2
9 8 10 1
10 10 11 1
11 1 2 1
12 2 3 2
13 9 12 1
14 12 13 2
|