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urea.pdb
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COMPND urea oplsaa.ff
AUTHOR GENERATED BY OPEN BABEL 2.4.1
HETATM 1 OU UNL 1 -0.693 1.408 -0.229 1.00 0.00 O
HETATM 2 CU UNL 1 -1.294 0.348 -0.306 1.00 0.00 C
HETATM 3 NU UNL 1 -1.444 -0.256 -1.508 1.00 0.00 N
HETATM 4 NU UNL 1 -1.808 -0.217 0.812 1.00 0.00 N
HETATM 5 HU UNL 1 -1.694 0.243 1.728 1.00 0.00 H
HETATM 6 HU UNL 1 -2.317 -1.112 0.763 1.00 0.00 H
HETATM 7 HU UNL 1 -1.053 0.174 -2.359 1.00 0.00 H
HETATM 8 HU UNL 1 -1.949 -1.151 -1.588 1.00 0.00 H
CONECT 1 2
CONECT 2 3 1 4
CONECT 3 7 8 2
CONECT 4 2 6 5
CONECT 5 4
CONECT 6 4
CONECT 7 3
CONECT 8 3
MASTER 0 0 0 0 0 0 0 0 8 0 8 0
END