ATOM 15
1 C2y C 26.2846 -15.1263
2 C1y C 25.0608 -14.4212
3 C1z C 26.2846 -16.5365
4 C1x C 24.6764 -15.7730
5 C1x C 23.8315 -15.1263
6 C1y C 25.0493 -17.1425
7 C1x C 23.8315 -16.5365
8 C2b C 27.4732 -14.4389
9 C1a C 27.4403 -17.2570
10 C1a C 27.4887 -15.8676
11 C2b C 28.6530 -15.1190
12 C2b C 29.8471 -14.4282
13 C5a C 31.0362 -15.1135
14 C1a C 32.2256 -14.4254
15 O5a O 31.0374 -16.5197
BOND 16
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 1
5 3 6 1
6 5 7 1
7 4 6 1
8 6 7 1
9 1 8 2
10 3 9 1
11 3 10 1
12 8 11 1
13 11 12 2
14 12 13 1
15 13 14 1
16 13 15 2
|