ATOM 14
1 C8y C 23.4500 -17.4300
2 C8x C 23.4500 -18.8300
3 C8x C 24.6400 -19.5300
4 C8y C 25.8300 -18.8300
5 C8y C 25.8300 -17.4300
6 C8x C 24.6400 -16.7300
7 C1b C 22.1900 -16.7300
8 O1a O 27.0900 -19.6000
9 C1c C 21.0000 -17.4300
10 C6a C 19.8100 -16.7300
11 O6a O 18.6200 -17.4300
12 O6a O 19.8100 -15.3300
13 N1a N 21.0000 -18.8300
14 X Br 27.0453 -16.7349
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 4 8 1
9 7 9 1
10 9 10 1
11 10 11 1
12 10 12 2
13 9 13 1
14 5 14 1
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