ATOM 12
1 C8x C 25.2700 -17.7100
2 C8x C 25.2700 -19.1100
3 C8x C 26.4824 -19.8100
4 C8x C 27.6949 -19.1100
5 C8y C 27.6949 -17.7100
6 C8y C 26.4824 -17.0100
7 C6a C 26.4824 -15.6102
8 O6a O 25.2532 -14.9003
9 O6a O 27.6780 -14.9198
10 N2b N 28.9260 -16.9990 #+
11 O3a O 30.1312 -17.6947 #-
12 O3a O 28.9257 -15.6101
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 7 8 1
9 7 9 2
10 5 10 1
11 10 11 1
12 10 12 2
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