ATOM 16
1 C8y C 30.4343 -17.1940
2 S4a S 31.6493 -16.4887
3 C8x C 30.4343 -18.5986
4 C8x C 29.2253 -16.4887
5 C8y C 32.8700 -17.1940
6 C8x C 29.2253 -19.2977
7 C8x C 28.0102 -17.1940
8 C8y C 28.0102 -18.5986
9 N1a N 26.7896 -19.2977
10 O3c O 30.6707 -15.5206
11 O3c O 32.6399 -15.5206
12 C8x C 32.9128 -18.5978
13 N5x N 34.2625 -18.9935
14 C8y C 35.0559 -17.8321
15 S2x S 34.1966 -16.7186
16 N1a N 36.4243 -17.8620
BOND 17
1 1 4 2
2 2 5 1
3 3 6 2
4 4 7 1
5 6 8 1
6 8 9 1
7 7 8 2
8 1 2 1
9 1 3 1
10 2 10 2
11 2 11 2
12 5 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 5 15 1
17 14 16 1
|