ATOM 13
1 C8y C 18.1300 -17.0100
2 C8x C 18.1300 -18.4100
3 C8y C 19.3424 -19.1100
4 C8x C 20.5549 -18.4100
5 C8y C 20.5549 -17.0100
6 C8y C 19.3424 -16.3100
7 O1a O 19.3424 -14.9102
8 N2b N 21.7860 -16.2990 #+
9 X I 16.9176 -16.3100
10 O3a O 22.9912 -16.9947 #-
11 O3a O 21.7857 -14.9101
12 C3b C 19.3424 -20.5098
13 N3a N 19.3424 -21.9098
BOND 13
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 6 7 1
8 5 8 1
9 1 9 1
10 8 10 1
11 8 11 2
12 3 12 1
13 12 13 3
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