ATOM 12
1 C1y C 26.8800 -17.2200
2 N1b N 26.8800 -15.9600
3 C1x C 25.7600 -17.8500
4 C1x C 28.0000 -17.8500
5 S4a S 28.4200 -14.9800
6 C1x C 25.7600 -19.2500
7 C1x C 28.0000 -19.2500
8 O1d O 28.9100 -16.2400 #-
9 O1d O 29.7500 -14.2800
10 O1d O 27.7900 -13.5100
11 C1x C 26.8800 -19.8800
12 Z Na 30.8000 -16.2400 #+
BOND 11
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 5 8 1
8 5 9 2
9 5 10 2
10 6 11 1
11 7 11 1
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