ATOM 16
1 C8x C 31.6817 -24.1837
2 C8x C 30.4996 -26.2698
3 C8x C 32.9334 -24.8095
4 C8x C 31.7513 -26.9652
5 C8y C 30.4996 -24.8791
6 C8y C 32.9334 -26.2003
7 C5a C 26.8836 -24.2532
8 C1a C 23.2677 -25.0181
9 C1a C 24.5193 -27.1043
10 C1b C 29.2479 -24.1837
11 C1b C 24.4498 -24.3227
12 C1b C 25.7015 -26.4089
13 N1c N 25.7015 -25.0181
14 O5a O 26.8836 -22.8625
15 S2a S 28.0658 -24.9486
16 X Cl 34.1851 -26.8956
BOND 16
1 1 3 2
2 1 5 1
3 2 4 1
4 2 5 2
5 3 6 1
6 4 6 2
7 5 10 1
8 6 16 1
9 7 13 1
10 7 14 2
11 7 15 1
12 8 11 1
13 9 12 1
14 10 15 1
15 11 13 1
16 12 13 1
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