ATOM 9
1 C1y C 27.3017 -19.2287
2 C1b C 28.5115 -18.5253
3 C6a C 29.7214 -19.2287
4 O6a O 30.9313 -18.5253
5 C1x C 26.8726 -20.5582
6 S2x S 26.1691 -18.3987
7 C1x C 25.0394 -19.2274
8 C1x C 25.4728 -20.5582
9 O6a O 29.7843 -20.6284
BOND 9
1 2 3 1
2 1 2 1
3 3 4 1
4 5 1 1
5 1 6 1
6 6 7 1
7 7 8 1
8 8 5 1
9 3 9 2
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