ATOM 15
1 C8x C 12.4600 -16.4500
2 C8y C 12.4600 -17.8500
3 C8x C 13.6724 -18.5500
4 C8y C 14.8849 -17.8500
5 C8y C 14.8849 -16.4500
6 C8y C 13.6724 -15.7500
7 O1a O 13.6724 -14.3502
8 N2b N 11.2476 -18.5500 #+
9 N2b N 16.1160 -18.5610 #+
10 O2a O 16.1160 -15.7390
11 C1a C 17.3212 -16.4347
12 O3a O 9.7721 -17.7896
13 O3a O 11.2475 -19.9498 #-
14 O3a O 17.7411 -17.8653
15 O3a O 16.1157 -19.9499 #-
BOND 15
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 6 7 1
8 2 8 1
9 4 9 1
10 5 10 1
11 10 11 1
12 8 12 2
13 8 13 1
14 9 14 2
15 9 15 1
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