ATOM 17
1 C8x C 21.0000 -10.0800
2 C8y C 21.0000 -11.4800
3 N5x N 22.2124 -12.1800
4 N5x N 23.4249 -11.4800
5 C8y C 23.4249 -10.0800
6 N5x N 22.2124 -9.3800
7 N1a N 24.6560 -9.3690
8 C2b C 19.7876 -12.1800
9 C2b C 18.5921 -11.4896
10 C8y C 17.4047 -12.1751
11 O2x O 16.2999 -11.3536
12 C8y C 15.1818 -12.1537
13 C8x C 15.5972 -13.4644
14 C8x C 16.9721 -13.4743
15 N2b N 13.9694 -11.4537 #+
16 O3a O 12.7569 -12.1537 #-
17 O3a O 13.9699 -10.0803
BOND 18
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 5 7 1
8 2 8 1
9 8 9 2
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 2
14 13 14 1
15 10 14 2
16 12 15 1
17 15 16 1
18 15 17 2
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