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10 lines
616 B
10 lines
616 B
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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