ATOM 14
1 C8x C 14.4200 -18.2000
2 C8y C 14.4200 -19.6000
3 C8x C 15.6324 -20.3000
4 C8x C 16.8449 -19.6000
5 C8y C 16.8449 -18.2000
6 C8x C 15.6324 -17.5000
7 X Br 13.2076 -20.3000
8 N1b N 18.0824 -17.5000
9 C5a C 19.2949 -18.2000
10 N1c N 20.5073 -17.5000
11 O2a O 21.7197 -18.2000
12 C1a C 22.9322 -17.5000
13 O5a O 19.2949 -19.5998
14 C1a C 20.5073 -16.1000
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 2 7 1
8 5 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 9 13 2
14 10 14 1
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