ATOM 21
1 C8x C 9.9400 -15.0500
2 C8x C 9.9400 -16.4500
3 C8x C 11.1524 -17.1500
4 C8y C 12.3649 -16.4500
5 C8y C 12.3649 -15.0500
6 C8y C 11.1524 -14.3500
7 N1c N 13.6024 -14.3500
8 C1b C 14.8149 -15.0500
9 O2a O 16.0273 -14.3500
10 C1b C 17.2397 -15.0500
11 C1b C 18.4522 -14.3500
12 C1b C 19.6646 -15.0500
13 C1a C 20.8770 -14.3500
14 C1b C 11.1524 -12.9502
15 C1a C 9.9232 -12.2403
16 C1b C 13.5960 -17.1610
17 C1a C 13.5960 -18.5610
18 C5a C 13.6085 -12.9503
19 C1b C 14.8025 -12.2677
20 O5a O 12.3779 -12.2324
21 X Cl 15.9800 -12.9542
BOND 21
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 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 6 14 1
15 14 15 1
16 4 16 1
17 16 17 1
18 7 18 1
19 18 19 1
20 18 20 2
21 19 21 1
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