Mol:
0 0 0 0 0 0 0 0 0
1.3597 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
2.3931 7.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8308 7.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1919 5.7609 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 2 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
4 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 3 1 0 0 0 0
M CHG 1 8 1
M CHG 1 10 -1
M END
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