Mol:
0 0 0 0 0 0 0 0 0
5.9035 4.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1737 5.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1737 6.6904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4438 4.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9370 4.6827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9587 2.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8815 1.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2429 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3887 2.7044 0.0000 O 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 1 2 0 0 0 0
4 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 2 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 12 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
19 10 1 0 0 0 0
20 13 1 1 0 0 0
20 21 1 0 0 0 0
21 22 1 6 0 0 0
21 23 1 0 0 0 0
23 24 1 6 0 0 0
23 25 1 0 0 0 0
25 26 1 1 0 0 0
26 27 1 0 0 0 0
25 28 1 0 0 0 0
28 20 1 0 0 0 0
M END
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