ATOM 11
1 C8y C 27.4460 -23.7604
2 C8x C 27.4460 -25.1595
3 C8y C 28.6616 -25.8625
4 C8x C 29.8697 -25.1595
5 C8x C 29.8697 -23.7604
6 C8y C 28.6616 -23.0645
7 C1a C 28.6632 -21.6657
8 N2b N 28.6632 -27.2614 #+
9 O3a O 27.4516 -27.9588
10 O3a O 29.8767 -27.9558 #-
11 N1a N 26.2210 -23.0497
BOND 11
1 6 7 1
2 1 2 2
3 2 3 1
4 3 8 1
5 3 4 2
6 4 5 1
7 5 6 2
8 8 9 2
9 6 1 1
10 8 10 1
11 1 11 1
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