ATOM 13
1 C8y C 28.8808 -18.0220
2 C8x C 27.6642 -17.3201
3 C8x C 30.0915 -17.3201
4 S4a S 28.8866 -19.4199
5 C8x C 27.6642 -15.9223
6 C8x C 30.0915 -15.9223
7 O1d O 28.8992 -21.1209
8 O1d O 27.6701 -20.1218
9 O1d O 30.0973 -20.1158
10 C8y C 28.8808 -15.2205
11 C6a C 28.8866 -13.8227
12 O6a O 30.0973 -13.1266
13 O6a O 27.6701 -13.1208
BOND 13
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 3 6 1
6 4 7 1
7 4 8 2
8 4 9 2
9 5 10 1
10 10 11 1
11 11 12 1
12 11 13 2
13 6 10 2
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