ATOM 19
1 C1y C 19.3900 -13.7900
2 C2x C 18.6900 -14.9800
3 C2y C 19.3200 -16.1700
4 C1z C 20.7200 -16.1700
5 C1z C 21.4900 -15.0500
6 C5x C 20.7900 -13.7900
7 X Br 18.6200 -17.3600
8 C1a C 21.4200 -17.4300
9 C1a C 20.0200 -17.3600
10 O5x O 21.4900 -12.5300
11 C1x C 22.1315 -16.2944
12 C1x C 23.5299 -16.2910
13 C1z C 24.2868 -15.1132
14 C1y C 23.6453 -13.8688
15 C1x C 22.2469 -13.8722
16 C1a C 18.6949 -12.5747
17 X Br 24.4104 -12.7481
18 C1a C 25.2768 -16.1732
19 X Cl 25.4993 -14.4832
BOND 20
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 3 7 1
8 4 8 1
9 4 9 1
10 6 10 2
11 5 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 5 15 1 #Up
17 1 16 1 #Up
18 14 17 1 #Up
19 13 18 1 #Up
20 13 19 1
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