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 30.1700 -16.6600
5 C8y C 30.1700 -15.2600
6 C8x C 28.9100 -14.5600
7 N2b N 31.3766 -17.3700 #+
8 O1a O 31.3766 -14.5500
9 N1a N 26.5047 -17.3551
10 O3a O 32.8663 -16.6847 #-
11 O3a O 31.3651 -18.7600
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 4 7 1
8 5 8 1
9 2 9 1
10 7 10 1
11 7 11 2
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