ATOM 11
1 C8x C 27.7200 -15.2600
2 C8y C 27.7200 -16.6600
3 C8x C 28.9100 -17.3600
4 C8y C 30.1000 -16.6600
5 C8y C 30.1000 -15.2600
6 C8x C 28.9100 -14.5600
7 N2b N 26.4600 -17.3600 #+
8 O3a O 25.2700 -16.6600 #-
9 O3a O 26.4600 -18.7600
10 N1a N 31.3153 -14.5649
11 O1a O 31.3153 -17.3551
BOND 11
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 2 7 1
8 7 8 1
9 7 9 2
10 5 10 1
11 4 11 1
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