ATOM 17
1 C8y C 28.2085 -18.6791
2 C8y C 28.2085 -20.1063
3 C8x C 29.4135 -17.9715
4 N4y N 26.9041 -18.2462
5 C8y C 29.4135 -20.7906
6 C8y C 30.6359 -18.7085
7 C8y C 30.6359 -20.0538
8 X Br 31.8878 -18.0299
9 O1a O 31.8878 -20.7556
10 C1a C 26.4752 -16.9405
11 X Br 29.3849 -22.1761
12 C8y C 26.9075 -20.5390
13 C8y C 26.0854 -19.4045
14 C8x C 24.6917 -19.5493
15 N5x N 24.1202 -20.8284
16 C8x C 24.9424 -21.9630
17 C8x C 26.3360 -21.8184
BOND 19
1 5 7 2
2 6 8 1
3 7 9 1
4 6 7 1
5 4 10 1
6 1 2 2
7 5 11 1
8 1 3 1
9 1 4 1
10 2 5 1
11 2 12 1
12 3 6 2
13 4 13 1
14 12 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 17 12 1
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