ATOM 19
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 C8y 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 C2y C 27.3000 -17.5700
15 N2x N 26.8800 -18.9000
16 C1x C 28.0000 -19.7400
17 C1x C 29.1900 -18.9000
18 C1x C 28.7000 -17.5700
19 X Br 19.2947 -15.1249
BOND 22
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 10 14 1
17 14 15 2
18 15 16 1
19 16 17 1
20 17 18 1
21 14 18 1
22 4 19 1
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