ATOM 21
1 C8x C 22.8269 -17.0418
2 C8x C 22.8269 -18.4444
3 C8x C 24.0415 -19.1457
4 C8y C 25.2563 -18.4444
5 C8y C 25.2563 -17.0418
6 C8x C 24.0415 -16.3405
7 S2x S 26.4710 -19.1457
8 C8y C 27.6857 -18.4444
9 C8y C 27.6857 -17.0418
10 C8y C 26.4710 -16.3405
11 C8x C 28.9006 -19.1457
12 C8x C 30.1152 -18.4444
13 C8y C 30.1152 -17.0418
14 C8x C 28.9006 -16.3405
15 C2b C 26.4710 -14.9378
16 C1b C 27.6878 -14.2353
17 C1b C 28.8866 -14.9276
18 N1c N 30.0757 -14.2411
19 C1a C 31.2694 -14.9306
20 C1a C 30.0759 -12.8341
21 X Cl 31.3340 -16.3382
BOND 23
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 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 8 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 9 14 2
17 10 15 2
18 15 16 1
19 16 17 1
20 17 18 1
21 18 19 1
22 18 20 1
23 13 21 1
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