Mol:
0 0 0 0 0
8.1580 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7983 3.9250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
8.1580 4.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 4.7100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
0.0000 4.7100 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 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
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
4 15 1 0 0 0 0
M CHG 1 12 1
M CHG 1 14 -1
M END
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