ATOM 12
1 C8x C 25.5675 -18.8453
2 C8y C 25.5675 -20.2466
3 C8x C 26.7810 -20.9473
4 C8y C 27.9947 -20.2466
5 C8y C 27.9947 -18.8453
6 C8x C 26.7810 -18.1446
7 C8x C 29.2082 -20.9473
8 C8x C 30.4218 -20.2466
9 C8y C 30.4218 -18.8453
10 C8x C 29.2082 -18.1446
11 O1a O 31.6205 -18.1531
12 X Br 24.3539 -20.9473
BOND 13
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 9 11 1
13 2 12 1
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