ATOM 8
1 C1a C 21.8574 -18.9853
2 S2a S 23.0708 -18.2846
3 C1b C 24.2843 -18.9853
4 C1b C 25.4978 -18.2846
5 C1b C 26.7111 -18.9853
6 C2b C 27.9247 -18.2846
7 N2b N 29.1380 -18.9853
8 O1b O 30.3559 -18.2823
BOND 7
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 2
7 7 8 1
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