ATOM 18
1 C8y C 25.2188 -16.5977
2 C8y C 25.2106 -17.9976
3 C8x C 26.4220 -18.7045
4 C8x C 27.6343 -18.0115
5 C8y C 27.6423 -16.6116
6 C8x C 26.4381 -15.9047
7 O1a O 23.9946 -18.6913
8 C1d C 28.8593 -15.9194
9 C8y C 30.0672 -16.6273
10 C1a C 27.6382 -15.2143
11 C1a C 30.0633 -15.2072
12 C8x C 30.1240 -18.0208
13 C8x C 31.2619 -18.7286
14 C8y C 32.4788 -18.0364
15 C8x C 32.4878 -16.6364
16 C8x C 31.2801 -15.9286
17 O1a O 33.6867 -18.7442
18 X Br 24.0107 -15.8901
BOND 19
1 8 9 1
2 3 4 2
3 8 10 1
4 4 5 1
5 8 11 1
6 5 6 2
7 6 1 1
8 2 7 1
9 1 2 2
10 9 12 2
11 12 13 1
12 13 14 2
13 14 15 1
14 15 16 2
15 16 9 1
16 5 8 1
17 14 17 1
18 2 3 1
19 1 18 1
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