ATOM 12
1 C8y C 27.4375 -16.2335
2 C8y C 28.6086 -16.9018
3 C8y C 26.2788 -16.9018
4 C8x C 28.6086 -18.2506
5 C8y C 26.2788 -18.2506
6 O1a O 25.1262 -16.2335
7 N5x N 27.4375 -18.9310
8 C1a C 25.1262 -18.9127
9 C1x C 29.6061 -15.9945
10 O7x O 29.0515 -14.7655
11 C7x C 27.7112 -14.9132
12 O6a O 26.7716 -13.8801
BOND 13
1 1 2 1
2 1 3 2
3 2 4 2
4 3 5 1
5 3 6 1
6 4 7 1
7 5 8 1
8 5 7 2
9 2 9 1
10 9 10 1
11 10 11 1
12 1 11 1
13 11 12 2
|