ATOM 15
1 C8y C 23.2418 -13.3982
2 C8y C 24.4535 -14.1006
3 C8y C 24.4494 -15.5036
4 N4x N 23.2374 -16.1980
5 C8y C 22.0259 -15.4956
6 N5x N 22.0264 -14.0987
7 X Br 25.6679 -13.4032
8 O5x O 23.2437 -11.9977
9 N1a N 20.8124 -16.1944
10 C8y C 25.6307 -16.1900
11 C8x C 25.6267 -17.5700
12 C8x C 26.8371 -18.2735
13 C8x C 28.0515 -17.5770
14 C8x C 28.0555 -16.1970
15 C8x C 26.8451 -15.4935
BOND 16
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 2
6 6 1 1
7 2 7 1
8 1 8 2
9 5 9 1
10 3 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 10 15 1
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