ATOM 20
1 C1x C 18.4187 -11.9059
2 C1x C 19.8194 -11.9059
3 C1x C 20.5198 -13.0965
4 C1x C 19.8194 -14.3571
5 C1y C 18.4187 -14.3571
6 N1x N 17.7184 -13.1665
7 C1y C 17.7884 -15.5477
8 C1x C 16.3877 -15.5477
9 O2x O 18.2086 -16.8784
10 C1z C 17.0880 -17.7188
11 O2x O 15.9675 -16.8784
12 C8y C 18.2786 -18.4191
13 C8x C 18.2786 -19.8198
14 C1b C 15.8975 -18.4191
15 C8x C 19.4692 -17.7188
16 C8x C 20.7299 -18.4191
17 C8x C 20.7299 -19.8198
18 C8x C 19.5393 -20.5202
19 C1a C 14.6815 -17.7237
20 X Cl 22.5508 -16.2480
BOND 21
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 1
8 7 8 1
9 7 9 1
10 9 10 1
11 10 11 1
12 8 11 1
13 10 12 1
14 12 13 1
15 10 14 1
16 12 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 13 18 2
21 14 19 1
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