ATOM 37
1 C2y C 12.1398 -16.4729
2 C2y C 12.8518 -17.6784
3 C2x C 14.2518 -17.7345
4 C1z C 14.9397 -16.4452
5 C1y C 14.2277 -15.2397
6 C2y C 12.8278 -15.2536
7 C1x C 15.7780 -17.5484
8 C2y C 17.0863 -17.0920
9 N2x N 17.0566 -15.7067
10 O2x O 15.7299 -15.3070
11 O1a O 14.9026 -14.0433
12 X Br 12.1141 -14.0452
13 O2a O 10.7105 -16.4176
14 X Br 12.1271 -18.8903
15 C5a C 18.2924 -17.7800
16 N1b N 19.5049 -17.0800
17 C1b C 20.7173 -17.7800
18 C1c C 21.9297 -17.0800
19 C1b C 23.1422 -17.7800
20 O2a O 24.3546 -17.0800
21 C8y C 25.5670 -17.7800
22 C1a C 10.0119 -15.3064
23 O5a O 18.2961 -19.1798
24 O1a O 21.9297 -15.6801
25 C8y C 25.5670 -19.1799
26 C8x C 26.7794 -19.8799
27 C8y C 27.9919 -19.1799
28 C8x C 27.9919 -17.7800
29 C8y C 26.7794 -17.0800
30 X Br 26.7795 -15.6803
31 X Br 24.3418 -19.8873
32 C1y C 29.2104 -19.8835
33 C1x C 29.3560 -21.2701
34 N1x N 30.7198 -21.5601
35 C7x C 31.4170 -20.3527
36 O7x O 30.4842 -19.3165
37 O6a O 32.8203 -20.3452
BOND 40
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 4 10 1
12 5 11 1
13 6 12 1
14 1 13 1
15 2 14 1
16 8 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 13 22 1
24 15 23 2
25 18 24 1
26 21 25 2
27 25 26 1
28 26 27 2
29 27 28 1
30 28 29 2
31 21 29 1
32 29 30 1
33 25 31 1
34 27 32 1
35 32 33 1
36 33 34 1
37 34 35 1
38 35 36 1
39 32 36 1
40 35 37 2
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