ATOM 14
1 C8y C 42.5733 -17.4671
2 C2b C 43.7717 -16.7751
3 N2b N 44.9703 -17.4671
4 N1b N 46.1689 -16.7751
5 C5a C 47.3674 -17.4671
6 C1a C 48.5660 -16.7751
7 O5a O 47.3674 -18.8510
8 O2x O 41.4404 -16.6719
9 C8y C 40.3341 -17.5035
10 C8x C 40.7833 -18.8127
11 C8x C 42.1671 -18.8600
12 N2b N 39.1358 -16.8116 #+
13 O3a O 37.7988 -17.6420 #-
14 O3a O 39.1353 -15.4605
BOND 14
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 5 7 2
7 1 8 1
8 8 9 1
9 9 10 2
10 10 11 1
11 1 11 2
12 9 12 1
13 12 13 1
14 12 14 2
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