ATOM 13
1 C8y C 28.0292 -23.7100
2 C8x C 28.0292 -25.1102
3 C8y C 29.2458 -25.8138
4 C8x C 30.4549 -25.1102
5 C8y C 30.4549 -23.7100
6 C8y C 29.2458 -23.0134
7 C1a C 29.2475 -21.6135
8 N2b N 31.6690 -23.0144 #+
9 N1a N 29.2475 -27.2137
10 O3a O 32.8820 -23.7117
11 O3a O 31.6700 -21.6143 #-
12 N1b N 26.8031 -22.9986
13 O1b O 25.6160 -23.6805
BOND 13
1 6 7 1
2 1 2 2
3 5 8 1
4 2 3 1
5 3 9 1
6 3 4 2
7 8 10 2
8 4 5 1
9 8 11 1
10 5 6 2
11 6 1 1
12 1 12 1
13 12 13 1
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