ATOM 16
1 C8x C 28.8621 -18.8276
2 C8y C 28.8621 -20.2221
3 C8x C 30.0698 -20.9194
4 C8x C 31.2775 -20.2221
5 C8y C 31.2775 -18.8276
6 N5x N 30.0698 -18.1304
7 X Cl 32.5038 -18.1194
8 C1b C 27.6545 -20.9194
9 N1y N 26.4636 -20.2317
10 C2y C 26.3172 -18.8386
11 S2x S 24.9470 -18.5473
12 C1x C 24.2466 -19.7604
13 C1x C 25.1839 -20.8015
14 N2b N 27.3778 -17.8830
15 C3b C 27.0817 -16.4933
16 N3a N 26.7208 -15.1463
BOND 17
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 5 7 1
8 2 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 9 13 1
15 10 14 2
16 14 15 1
17 15 16 3
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