ATOM 8
1 C1a C 11.4100 -10.0800
2 S4a S 12.6224 -9.3800
3 C1b C 13.8349 -10.0800
4 C1b C 15.0473 -9.3800
5 C3b C 16.2597 -10.0800
6 N3a N 17.4722 -10.7800
7 O3c O 13.6124 -8.2501
8 O3c O 11.6325 -8.2501
BOND 7
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 3
6 2 7 2
7 2 8 2
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