ATOM 9
1 C1x C 27.6904 -21.3677
2 C1z C 28.1259 -20.0374
3 C5x C 26.9907 -19.2118
4 S2x S 25.8554 -20.0374
5 C1x C 26.2909 -21.3677
6 C1b C 28.8142 -18.8160
7 C1a C 30.2137 -18.8479
8 O5x O 26.9907 -17.8124
9 C1a C 29.1110 -21.0213
BOND 9
1 4 5 1
2 5 1 1
3 2 6 1
4 1 2 1
5 6 7 1
6 2 3 1
7 3 8 2
8 3 4 1
9 2 9 1
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