ATOM 12
1 C1y C 25.5335 -18.7179
2 N1b N 25.5335 -17.4051
3 C1x C 24.4082 -19.3275
4 C1x C 26.6589 -19.3275
5 S4a S 27.0809 -16.4204
6 C1x C 24.4082 -20.6873
7 C1x C 26.6589 -20.6873
8 O1d O 27.5968 -17.6864 #-
9 O1d O 28.3938 -15.7639
10 O1d O 26.4714 -15.0137
11 C1x C 25.5335 -21.3438
12 Z Na 29.4968 -17.6811 #+
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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