ATOM 25
1 C2y C 15.3629 -15.4777
2 C2y C 16.0494 -16.6979
3 C2x C 17.4493 -16.7135
4 C1z C 18.1628 -15.5089
5 C1y C 17.4763 -14.2887
6 C2y C 16.0764 -14.2732
7 C1x C 18.9764 -16.6551
8 C2y C 20.3180 -16.2355
9 N2x N 20.3335 -14.8299
10 O2x O 19.0015 -14.3808
11 O1a O 18.1995 -13.0673
12 X Br 15.3988 -13.0683
13 O2a O 13.9300 -15.4620
14 X Br 15.3168 -17.9347
15 C1a C 13.2300 -14.2496
16 C5a C 21.5124 -16.9400
17 N1b N 22.7249 -16.2400
18 C1b C 23.9373 -16.9400
19 C1b C 25.1497 -16.2400
20 O5a O 21.5059 -18.3399
21 C8y C 26.2344 -16.7998
22 C8x C 26.6699 -18.1303
23 N5x N 28.0699 -18.1274
24 C8x C 28.4997 -16.7950
25 N4x N 27.3653 -15.9745
BOND 27
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 #Up
12 5 11 1 #Down
13 6 12 1
14 1 13 1
15 2 14 1
16 13 15 1
17 8 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 16 20 2
22 21 22 2
23 22 23 1
24 23 24 2
25 24 25 1
26 21 25 1
27 19 21 1
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