ATOM 12
1 C8x C 36.1900 -22.0500
2 C8x C 36.1900 -23.4500
3 C8y C 37.3800 -24.1500
4 C8x C 38.6400 -23.4500
5 C8x C 38.6400 -22.0500
6 C8y C 37.3800 -21.3500
7 C6a C 37.3800 -19.9500
8 N2b N 37.3800 -25.5500 #+
9 O3a O 36.1900 -26.2500
10 O3a O 38.5700 -26.2500 #-
11 O6a O 38.5700 -19.2500
12 O6a O 36.1900 -19.2500
BOND 12
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 3 8 1
9 8 9 2
10 8 10 1
11 7 11 1
12 7 12 2
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