ATOM 21
1 C8x C 12.0400 -17.7100
2 C8y C 12.0400 -19.1100
3 C8x C 13.2524 -19.8100
4 C8x C 14.4649 -19.1100
5 C8y C 14.4649 -17.7100
6 C8x C 13.2524 -17.0100
7 C1a C 10.8276 -19.8100
8 C8y C 15.6960 -16.9990
9 N4y N 16.9656 -17.5642
10 C8y C 17.8955 -16.5314
11 N5x N 17.2006 -15.3278
12 C8y C 15.8412 -15.6168
13 S4a S 16.9656 -18.9642
14 N1c N 16.9656 -20.3642
15 O3c O 18.3400 -18.9643
16 O3c O 15.5400 -18.9641
17 C3b C 19.3108 -16.6804
18 N3a N 20.7108 -16.8904
19 C1a C 15.7315 -21.0768
20 C1a C 18.1612 -21.0547
21 X Cl 14.7858 -14.6664
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 2 7 1
8 5 8 1
9 8 9 1
10 9 10 1
11 10 11 2
12 11 12 1
13 8 12 2
14 9 13 1
15 13 14 1
16 13 15 2
17 13 16 2
18 10 17 1
19 17 18 3
20 14 19 1
21 14 20 1
22 12 21 1
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