ATOM 13
1 C5a C 31.6319 -16.4735
2 C2b C 30.4206 -17.1285
3 C2b C 29.2094 -16.4040
4 C8y C 28.0794 -17.1458
5 O2x O 27.6388 -18.4902
6 C8x C 26.9318 -16.3170
7 C8y C 26.2364 -18.4902
8 C8x C 25.7960 -17.1458
9 N2b N 25.4075 -19.6319 #+
10 O3a O 24.0109 -19.4813
11 O3a O 25.9813 -20.9128 #-
12 N1a N 32.7629 -17.2536
13 O5a O 31.6380 -15.0602
BOND 13
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 4 6 2
6 5 7 1
7 6 8 1
8 7 9 1
9 9 10 2
10 9 11 1
11 7 8 2
12 1 12 1
13 1 13 2
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