ATOM 12
1 C1x C 25.1948 -24.7852
2 C1x C 26.4596 -24.1929
3 N1y N 27.7192 -24.8185
4 C1x C 24.8691 -26.1505
5 C1x C 28.0204 -26.1841
6 C1x C 25.7357 -27.3275
7 C1x C 27.1382 -27.2675
8 C5a C 28.9282 -24.1120
9 S2a S 30.1388 -24.8088
10 C1b C 31.3496 -24.1049
11 C1a C 32.5532 -24.8017
12 O5a O 28.9235 -22.7112
BOND 12
1 1 2 1
2 5 7 1
3 6 7 1
4 1 4 1
5 3 8 1
6 8 9 1
7 3 5 1
8 9 10 1
9 2 3 1
10 10 11 1
11 4 6 1
12 8 12 2
|