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Copy pathbenzene.pdb
28 lines (28 loc) · 1.91 KB
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benzene.pdb
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COMPND *****
AUTHOR GENERATED BY OPEN BABEL 3.0.0
ATOM 1 C LIG A 1 0.312 1.353 0.000 1.00 0.00 C
ATOM 2 C LIG A 1 1.328 0.406 0.000 1.00 0.00 C
ATOM 3 C LIG A 1 1.016 -0.947 0.000 1.00 0.00 C
ATOM 4 C LIG A 1 -0.312 -1.353 0.000 1.00 0.00 C
ATOM 5 C LIG A 1 -1.328 -0.406 0.000 1.00 0.00 C
ATOM 6 C LIG A 1 -1.016 0.947 0.000 1.00 0.00 C
ATOM 7 H LIG A 1 0.554 2.399 0.000 1.00 0.00 H
ATOM 8 H LIG A 1 2.354 0.720 0.000 1.00 0.00 H
ATOM 9 H LIG A 1 1.800 -1.679 0.000 1.00 0.00 H
ATOM 10 H LIG A 1 -0.554 -2.399 0.000 1.00 0.00 H
ATOM 11 H LIG A 1 -2.354 -0.720 0.000 1.00 0.00 H
ATOM 12 H LIG A 1 -1.800 1.679 0.000 1.00 0.00 H
CONECT 1 7 6 6 2
CONECT 2 3 3 1 8
CONECT 3 2 2 4 9
CONECT 4 3 5 5 10
CONECT 5 4 4 6 11
CONECT 6 1 1 5 12
CONECT 7 1
CONECT 8 2
CONECT 9 3
CONECT 10 4
CONECT 11 5
CONECT 12 6
MASTER 0 0 0 0 0 0 0 0 12 0 12 0
END