ATOM 17
1 C8y C 11.2000 -15.4000
2 C8x C 11.2000 -16.8000
3 C8x C 12.4124 -17.5000
4 C8y C 13.6249 -16.8000
5 C8y C 13.6249 -15.4000
6 C8x C 12.4124 -14.7000
7 C8y C 14.9564 -17.2326
8 C8y C 15.7793 -16.1000
9 N4x N 14.9564 -14.9674
10 S2a S 17.1500 -16.1000
11 C1a C 17.8500 -17.3124
12 O2a O 14.9676 -18.5594
13 S4a S 14.9799 -19.9116
14 O1d O 14.9799 -21.3116
15 O1d O 16.3799 -19.9116
16 O1d O 13.5799 -19.9116
17 X Br 9.9876 -14.7000
BOND 18
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 2
9 8 9 1
10 5 9 1
11 8 10 1
12 10 11 1
13 7 12 1
14 12 13 1
15 13 14 1
16 13 15 2
17 13 16 2
18 1 17 1
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