ATOM 17
1 N1y N 30.2730 -16.3103
2 C2y C 30.6318 -17.6579
3 N1x N 32.0247 -17.6610
4 C1x C 32.5223 -16.4285
5 C1x C 31.4371 -15.5478
6 C8x C 25.4265 -16.2991
7 C8y C 25.4265 -17.7029
8 N5x N 26.6459 -18.4012
9 C8x C 27.8584 -17.7029
10 C8y C 27.8584 -16.2991
11 C8x C 26.6459 -15.5937
12 C1b C 29.0663 -15.6008
13 X Cl 24.2061 -18.3941
14 N2b N 29.7967 -18.7422
15 N2b N 29.7967 -20.1422 #+
16 O3a O 28.5944 -20.8366
17 O3a O 31.0344 -20.8566 #-
BOND 18
1 6 7 2
2 7 8 1
3 8 9 2
4 9 10 1
5 10 11 2
6 11 6 1
7 10 12 1
8 12 1 1
9 1 2 1
10 7 13 1
11 2 3 1
12 3 4 1
13 4 5 1
14 5 1 1
15 2 14 2
16 14 15 1
17 15 16 2
18 15 17 1
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