ATOM 14
1 C8y C 14.2100 -19.6700
2 C8x C 14.2100 -21.0700
3 C8x C 15.4224 -21.7700
4 C8x C 16.6349 -21.0700
5 C8y C 16.6349 -19.6700
6 C8x C 15.4224 -18.9700
7 X Br 12.9976 -18.9700
8 C2b C 17.8660 -18.9590
9 C2b C 19.0712 -19.6547
10 C5a C 20.2535 -18.9719
11 N1b N 21.4475 -19.6612
12 C1b C 22.6354 -18.9752
13 C1a C 23.8265 -19.6629
14 O5a O 20.2535 -17.5702
BOND 14
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 5 8 1
9 8 9 2
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 10 14 2
|