ATOM 20
1 C8y C 29.4000 -19.5300
2 C8y C 29.4000 -20.9300
3 C8x C 30.6600 -21.6300
4 C8y C 31.8500 -20.9300
5 C8x C 31.8500 -19.5300
6 C8x C 30.6600 -18.8300
7 C1z C 28.2100 -18.8300
8 C1b C 27.0200 -19.4600
9 C1x C 29.4000 -18.0600
10 C1y C 29.0500 -16.5900
11 C1x C 27.6500 -16.5900
12 O2x O 27.1600 -17.9200
13 N4y N 25.8300 -18.8300
14 N5x N 25.6900 -17.4300
15 C8x C 24.3600 -17.1500
16 N5x N 23.6600 -18.3400
17 C8x C 24.5700 -19.3900
18 X Cl 28.2100 -21.6300
19 X Cl 33.1100 -21.6300
20 X Br 29.9178 -15.4914
BOND 22
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 7 8 1
9 7 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 7 12 1
14 8 13 1
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 13 17 1
20 2 18 1
21 4 19 1
22 10 20 1
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