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example.mol2
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example.mol2
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@<TRIPOS>MOLECULE
benzene
12 12 0 0 0
SMALL
GASTEIGER
@<TRIPOS>ATOM
1 C 0.0000 0.0000 0.0000
2 C 0.0000 0.0000 1.3948
3 C 0.0000 1.2081 2.0922
4 C -0.0001 2.4159 1.3947
5 C -0.0001 2.4159 -0.0001
6 C -0.0001 1.2079 -0.6975
7 H -0.0001 1.2078 -1.7842
8 H -0.0000 -0.9412 -0.5434
9 H 0.0001 -0.9411 1.9382
10 H 0.0001 1.2081 3.1789
11 H -0.0001 3.3571 1.9381
12 H -0.0001 3.3570 -0.5435
@<TRIPOS>BOND
1 7 6 1
2 8 1 1
3 6 1 ar
4 6 5 ar
5 1 2 ar
6 12 5 1
7 5 4 ar
8 2 9 1
9 2 3 ar
10 4 3 ar
11 4 11 1
12 3 10 1