Mol:
0 0
4.0790 7.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7983 7.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 9.4200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 7.0650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 7.8500 0.0000 C 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 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 3 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
5 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
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 12 1 0 0 0 0
15 18 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
M CHG 1 9 1
M CHG 1 11 -1
M END
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