ATOM 16
1 C8y C 17.0800 -17.8500
2 C8x C 17.0800 -19.2500
3 C8y C 18.2924 -19.9500
4 C8y C 19.5049 -19.2500
5 C8y C 19.5049 -17.8500
6 C8x C 18.2924 -17.1500
7 N2b N 18.2924 -21.3498 #+
8 C1a C 20.7360 -19.9610
9 C5a C 20.7360 -17.1390
10 N1a N 21.9412 -17.8347
11 O5a O 20.7357 -15.7501
12 N2b N 15.8676 -17.1500 #+
13 O3a O 14.6721 -17.8404 #-
14 O3a O 15.8675 -15.7502
15 O3a O 17.0632 -22.0597 #-
16 O3a O 19.4880 -22.0402
BOND 16
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 3 7 1
8 4 8 1
9 5 9 1
10 9 10 1
11 9 11 2
12 1 12 1
13 12 13 1
14 12 14 2
15 7 15 1
16 7 16 2
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