Mol:
5.4405 8.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4405 7.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3600 6.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 4.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 3.9242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7206 3.9233 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 2 0 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
10 12 2 0 0 0 0
12 13 1 0 0 0 0
13 7 2 0 0 0 0
8 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
17 6 2 0 0 0 0
M END
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