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11 lines
616 B
11 lines
616 B
2 years ago
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COMPND Coordinates from ORCA-job cmmd
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AUTHOR GENERATED BY OPEN BABEL 3.1.0
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HETATM 1 O SLV 1 1.060 -0.069 -0.043 1.00 0.00 O
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HETATM 2 H SLV 0 2.019 -0.050 -0.042 1.00 0.00 H
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HETATM 3 H SLV 0 0.758 0.840 0.014 1.00 0.00 H
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#CONECT 1 2 3
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#CONECT 2 1
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#CONECT 3 1
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MASTER 0 0 0 0 0 0 0 0 3 0 3 0
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END
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