ATOM 12
1 C8x C 23.1000 -15.1900
2 C8y C 23.1000 -16.5900
3 C8y C 24.3124 -17.2900
4 C8x C 25.5249 -16.5900
5 C8y C 25.5249 -15.1900
6 C8y C 24.3124 -14.4900
7 C1a C 24.3124 -13.0902
8 N2b N 26.7560 -14.4790 #+
9 O1a O 21.8876 -17.2900
10 O1a O 24.3124 -18.6898
11 O3a O 27.9612 -15.1747
12 O3a O 26.7557 -13.0901 #-
BOND 12
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 5 8 1
9 2 9 1
10 3 10 1
11 8 11 2
12 8 12 1
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