Mol:
0 0 0
1.3597 7.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 6.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 8.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 9.4200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 9.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 10.9900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 8.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 9.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7983 8.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 7.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 4.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 6.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7983 7.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7983 3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8773 9.4200 0.0000 O 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
6 8 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
10 11 1 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 1 0 0 0 0
14 16 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
21 13 2 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
31 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
35 36 1 0 0 0 0
35 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
37 40 1 0 0 0 0
40 30 1 0 0 0 0
28 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
41 44 1 0 0 0 0
44 23 1 0 0 0 0
10 45 1 0 0 0 0
45 3 1 0 0 0 0
M END
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