ATOM 9
1 C8y C 27.7200 -16.8700
2 C8x C 27.7200 -18.2700
3 N5x N 29.0500 -18.6900
4 C8y C 29.8200 -17.5700
5 S2x S 29.0500 -16.4500
6 N1a N 31.2900 -17.5700
7 N2b N 26.5300 -16.0300 #+
8 O3a O 25.2700 -16.5900
9 O3a O 26.5300 -14.6300 #-
BOND 9
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 1 5 1
6 4 6 1
7 1 7 1
8 7 8 2
9 7 9 1
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