ATOM 14
1 C8x C 12.2500 -17.2900
2 C8y C 12.2500 -18.6900
3 C8x C 13.4624 -19.3900
4 C8y C 14.6749 -18.6900
5 C8y C 14.6749 -17.2900
6 C8x C 13.4624 -16.5900
7 C1z C 15.8873 -19.3900
8 O7x O 17.0997 -18.6900
9 C7x C 17.0997 -17.2900
10 N1x N 15.8873 -16.5900
11 O6a O 18.2973 -16.5985
12 C1a C 14.8974 -20.3799
13 C1a C 16.8773 -20.3799
14 X Br 11.0376 -19.3900
BOND 15
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 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 2
13 7 12 1
14 7 13 1
15 2 14 1
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