Mol:
2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
1 5 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
6 11 2 0
1 6 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
13 18 2 0
19 20 1 0
16 19 1 0
12 13 1 0
3 12 2 3
M END
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