ATOM 11
1 C8x C 12.8100 -18.2000
2 C8y C 12.8100 -19.6000
3 C8x C 14.0224 -20.3000
4 C8x C 15.2349 -19.6000
5 C8y C 15.2349 -18.2000
6 C8x C 14.0224 -17.5000
7 X Br 11.5976 -20.3000
8 N1b N 16.4660 -17.4890
9 C2c C 17.6712 -18.1847
10 N1a N 18.8535 -17.5019
11 S0 S 17.6716 -19.5996
BOND 11
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 2 7 1
8 5 8 1
9 8 9 1
10 9 10 1
11 9 11 2
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