ATOM 13
1 C8y C 18.4208 -13.6877
2 C8x C 18.4208 -15.0988
3 C8y C 17.1959 -12.9951
4 N2b N 19.6266 -12.9888 #+
5 C8y C 17.1959 -15.8106
6 C8x C 15.9901 -13.6877
7 O1a O 17.1894 -11.5970
8 O3a O 19.6266 -11.5970
9 O3a O 20.8387 -13.6749 #-
10 C8x C 15.9901 -15.0988
11 N2b N 17.1894 -17.2087 #+
12 O3a O 18.4588 -18.0543
13 O3a O 15.9836 -18.0543 #-
BOND 13
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 2
6 3 7 1
7 4 8 2
8 4 9 1
9 5 10 2
10 5 11 1
11 11 12 2
12 11 13 1
13 6 10 1
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