ATOM 14
1 C8y C 22.8900 -15.8200
2 C8y C 22.8900 -17.2200
3 C8x C 21.7000 -15.1200
4 C8y C 20.5100 -15.8200
5 C8x C 20.5100 -17.2200
6 C8x C 21.7000 -17.9200
7 N4x N 24.2200 -17.6400
8 C8y C 25.0600 -16.5200
9 C8y C 24.2200 -15.4000
10 C8x C 26.4600 -16.3800
11 N5x N 27.0200 -15.0500
12 C8x C 26.2500 -13.9300
13 C8x C 24.7800 -14.0700
14 X Br 19.3200 -15.1200
BOND 16
1 1 2 1
2 1 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 2 6 2
7 2 7 1
8 7 8 1
9 8 9 1
10 1 9 1
11 8 10 2
12 10 11 1
13 11 12 2
14 12 13 1
15 9 13 2
16 4 14 1
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