ATOM 8
1 C2y C 30.5987 -19.0317
2 O2x O 29.4880 -19.8837
3 C1y C 29.9552 -21.2034
4 C1x C 31.3546 -21.2368
5 N1x N 31.7523 -19.8246
6 S0 S 30.5622 -17.6639
7 C2b C 29.1666 -22.3502
8 C2a C 27.7580 -22.3092
BOND 8
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 1 6 2
7 3 7 1
8 7 8 2
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