ATOM 12
1 C8y C 34.5397 -17.6156
2 C8y C 35.7460 -18.3148
3 C8y C 33.3206 -18.3148
4 C1x C 34.8348 -16.2489
5 C7x C 36.7919 -17.3845
6 C8x C 35.7589 -19.7137
7 C8y C 33.3206 -19.7137
8 O1a O 32.1080 -17.6156
9 O7x O 36.2272 -16.1077
10 O6a O 38.1841 -17.3845
11 N5x N 34.5397 -20.4194
12 C1a C 32.1080 -20.4129
BOND 13
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 5 10 2
10 6 11 2
11 7 12 1
12 5 9 1
13 7 11 1
|