Mol:
0 0 0 0 0 0 0 0 0 0 0
1.3597 4.7100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
15.0639 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0639 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7043 2.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.4236 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4236 3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.7833 4.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0639 4.7100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
4 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
M CHG 1 2 3
M CHG 1 9 -1
M CHG 1 16 -1
M CHG 1 23 -1
M END
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