ATOM 13
1 C8y C 23.9132 -16.5052
2 C8y C 23.9132 -17.9071
3 C5a C 25.1207 -15.7992
4 C8x C 22.7023 -15.8060
5 C8y C 22.7023 -18.6063
6 C1b C 26.3349 -16.5018
7 O5a O 25.1172 -14.3973
8 C8x C 21.4915 -16.5052
9 C8x C 21.4915 -17.9071
10 O1a O 22.6955 -20.0081
11 C1b C 27.5457 -15.7957
12 N1a N 28.7566 -16.4984
13 N1a N 25.1513 -18.6219
BOND 13
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 3 6 1
6 3 7 2
7 4 8 1
8 5 9 1
9 5 10 1
10 6 11 1
11 11 12 1
12 8 9 2
13 2 13 1
|