Mol:
0 0 0 0 0
5.4386 9.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 7.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.2369 2.3550 0.0000 C 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
14.9563 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9563 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5966 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2369 0.7850 0.0000 C 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 1 0 0 0 0
8 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 2 0 0 0 0
13 15 1 0 0 0 0
12 16 2 0 0 0 0
16 17 1 0 0 0 0
17 9 2 0 0 0 0
11 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 19 2 0 0 0 0
M END
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