ATOM 14
1 C8y C 20.8494 -9.5920
2 C2b C 22.0443 -8.8892
3 N2b N 23.2392 -9.5920
4 N1b N 24.5044 -8.8892
5 C1b C 25.6993 -9.5920
6 C1b C 26.8942 -8.8892
7 O2x O 19.7248 -8.7486
8 C8y C 18.6002 -9.5920
9 C8x C 19.0922 -10.9275
10 C8x C 20.4276 -10.9275
11 N2b N 17.4053 -8.8892 #+
12 O3a O 16.0698 -9.7326 #-
13 O3a O 17.4053 -7.5537
14 O1a O 28.1018 -9.5735
BOND 14
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 7 1
7 7 8 1
8 8 9 2
9 9 10 1
10 1 10 2
11 8 11 1
12 11 12 1
13 11 13 2
14 6 14 1
|