ATOM 15
1 C8x C 19.6303 -15.6381
2 C8x C 19.6303 -17.0409
3 C8x C 20.8481 -17.7423
4 C8y C 22.0587 -17.0409
5 C8x C 22.0587 -15.6381
6 N5x N 20.8481 -14.9368
7 C5a C 23.2647 -17.7351
8 N1b N 24.4762 -17.0338
9 C1b C 25.6877 -17.7282
10 C1b C 26.8992 -17.0268
11 O2a O 28.1106 -17.7210
12 N2b N 29.3221 -17.0196 #+
13 O3a O 30.5336 -17.7139 #-
14 O5a O 23.2664 -19.1379
15 O3a O 29.3190 -15.6169
BOND 15
1 1 2 2
2 7 8 1
3 2 3 1
4 8 9 1
5 3 4 2
6 9 10 1
7 4 5 1
8 10 11 1
9 5 6 2
10 11 12 1
11 6 1 1
12 12 13 1
13 7 14 2
14 4 7 1
15 12 15 2
|