ATOM 15
1 C8y C 24.8720 -18.3329
2 C8y C 24.8720 -19.7306
3 C8y C 23.6613 -17.6310
4 N1b N 26.0827 -17.6310
5 C8x C 23.6613 -20.4325
6 X Cl 26.0827 -20.4325
7 C8x C 22.4447 -18.3329
8 X Cl 23.6613 -16.2332
9 C2y C 27.2932 -18.3386
10 C8y C 22.4447 -19.7306
11 N1x N 28.4279 -17.5140
12 N2x N 27.7261 -19.6664
13 N1a N 21.2340 -20.4325
14 C1x C 29.5626 -18.3386
15 C1x C 29.1240 -19.6664
BOND 16
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 9 11 1
11 9 12 2
12 10 13 1
13 11 14 1
14 12 15 1
15 7 10 2
16 14 15 1
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