Mol:
0 0 0 0 0 0
10.8773 3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2369 2.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.5966 3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5176 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5176 0.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1580 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1580 3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
10 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
15 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
18 21 1 0 0 0 0
21 9 2 0 0 0 0
M CHG 1 11 1
M CHG 1 13 -1
M END
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