ATOM 13
1 C8y C 25.8983 -16.5846
2 C8x C 25.8983 -17.9851
3 C8x C 27.1141 -18.6854
4 C8x C 27.1141 -15.8843
5 C8y C 28.3228 -16.5846
6 C8y C 28.3169 -17.9851
7 C8y C 29.5268 -18.6905
8 C8x C 30.7426 -17.9955
9 C8y C 30.7485 -16.5949
10 O7x O 29.5387 -15.8896
11 O6a O 31.9644 -15.8999
12 C1a C 29.5208 -20.0910
13 N1a N 24.6857 -15.8836
BOND 14
1 3 6 1
2 5 4 1
3 4 1 2
4 5 6 2
5 6 7 1
6 7 8 2
7 8 9 1
8 9 10 1
9 10 5 1
10 9 11 2
11 1 2 1
12 7 12 1
13 2 3 2
14 1 13 1
|