Mol:
2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7983 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2369 7.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5966 7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9563 7.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9563 5.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5966 4.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2369 5.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
1 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 4 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 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
14 18 2 0 0 0 0
18 19 1 0 0 0 0
19 11 2 0 0 0 0
13 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 22 2 0 0 0 0
6 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
33 28 2 0 0 0 0
M CHG 1 1 1
M CHG 1 3 -1
M END
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