ATOM 8
1 C8x C 30.0390 -18.0848
2 O2x O 29.6202 -19.4110
3 C8x C 28.9222 -17.2471
4 C8y C 28.2242 -19.4110
5 C8x C 27.8054 -18.0848
6 N2b N 27.3866 -20.5976 #+
7 O3a O 25.9906 -20.4580
8 O3a O 27.9450 -21.8540 #-
BOND 8
1 1 2 1
2 1 3 2
3 2 4 1
4 3 5 1
5 4 6 1
6 6 7 2
7 6 8 1
8 4 5 2
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