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ucarion/foo.mrv

Last active December 20, 2015 02:28
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.MRV file
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foo.mrv
<?xml version="1.0" ?>
<cml>
<MDocument>
<MChemicalStruct>
<molecule title="alkyl" molID="m1">
<propertyList>
<property dictRef="rotation.unit" title="rotation.unit">
<scalar>15</scalar>
</property>
<property dictRef="abbreviation" title="abbreviation">
<scalar>CHK</scalar>
</property>
</propertyList>
<atomArray
atomID="a1"
elementType="C"
mrvPseudo="alkyl"
x2="0.0"
y2="0.0"
/>
<bondArray>
</bondArray>
</molecule>
</MChemicalStruct>
</MDocument>
<MDocument>
<MChemicalStruct>
<molecule title="alkenyl" molID="m1">
<propertyList>
<property dictRef="sgroupState" title="sgroupState">
<scalar>expand</scalar>
</property>
<property dictRef="rotation.unit" title="rotation.unit">
<scalar>15</scalar>
</property>
<property dictRef="abbreviation" title="abbreviation">
<scalar>CHE</scalar>
</property>
</propertyList>
<atomArray
atomID="a1"
elementType="C"
mrvPseudo="alkenyl"
x2="0.0"
y2="0.0"
/>
<bondArray>
</bondArray>
</molecule>
</MChemicalStruct>
</MDocument>
<MDocument>
<MChemicalStruct>
<molecule title="alkynyl" molID="m1">
<propertyList>
<property dictRef="sgroupState" title="sgroupState">
<scalar>expand</scalar>
</property>
<property dictRef="rotation.unit" title="rotation.unit">
<scalar>15</scalar>
</property>
<property dictRef="abbreviation" title="abbreviation">
<scalar>CHY</scalar>
</property>
</propertyList>
<atomArray
atomID="a1"
elementType="C"
mrvPseudo="alkynyl"
x2="0.0"
y2="0.0"
/>
<bondArray>
</bondArray>
</molecule>
</MChemicalStruct>
</MDocument>
<MDocument>
<MChemicalStruct>
<molecule title="aryl" molID="m1">
<propertyList>
<property dictRef="sgroupState" title="sgroupState">
<scalar>expand</scalar>
</property>
<property dictRef="rotation.unit" title="rotation.unit">
<scalar>15</scalar>
</property>
<property dictRef="abbreviation" title="abbreviation">
<scalar>ARY</scalar>
</property>
</propertyList>
<atomArray
atomID="a1"
elementType="C"
mrvPseudo="aryl"
x2="0.0"
y2="0.0"
/>
<bondArray>
</bondArray>
</molecule>
</MChemicalStruct>
</MDocument>
<MDocument>
<MChemicalStruct>
<molecule title="heteroaryl" molID="m1">
<propertyList>
<property dictRef="sgroupState" title="sgroupState">
<scalar>expand</scalar>
</property>
<property dictRef="rotation.unit" title="rotation.unit">
<scalar>15</scalar>
</property>
<property dictRef="abbreviation" title="abbreviation">
<scalar>HEA</scalar>
</property>
</propertyList>
<atomArray
atomID="a1"
elementType="C"
mrvPseudo="heteroaryl"
x2="0.0"
y2="0.0"
/>
<bondArray>
</bondArray>
</molecule>
</MChemicalStruct>
</MDocument>
<MDocument>
<MChemicalStruct>
<molecule title="aliphaticHeterocyclyl" molID="m1">
<propertyList>
<property dictRef="sgroupState" title="sgroupState">
<scalar>expand</scalar>
</property>
<property dictRef="rotation.unit" title="rotation.unit">
<scalar>15</scalar>
</property>
<property dictRef="abbreviation" title="abbreviation">
<scalar>HET</scalar>
</property>
</propertyList>
<atomArray
atomID="a1"
elementType="C"
mrvPseudo="aliphaticHeterocyclyl"
x2="0.0"
y2="0.0"
/>
<bondArray>
</bondArray>
</molecule>
</MChemicalStruct>
</MDocument>
<MDocument>
<MChemicalStruct>
<molecule title="cycloalkyl" molID="m1">
<propertyList>
<property dictRef="sgroupState" title="sgroupState">
<scalar>expand</scalar>
</property>
<property dictRef="rotation.unit" title="rotation.unit">
<scalar>15</scalar>
</property>
<property dictRef="abbreviation" title="abbreviation">
<scalar>CYC</scalar>
</property>
</propertyList>
<atomArray
atomID="a1"
elementType="C"
mrvPseudo="cycloalkyl"
x2="0.0"
y2="0.0"
/>
<bondArray>
</bondArray>
</molecule>
</MChemicalStruct>
</MDocument>
<MDocument>
<MChemicalStruct>
<molecule title="fusedhetero" molID="m1">
<propertyList>
<property dictRef="sgroupState" title="sgroupState">
<scalar>expand</scalar>
</property>
<property dictRef="rotation.unit" title="rotation.unit">
<scalar>15</scalar>
</property>
<property dictRef="abbreviation" title="abbreviation">
<scalar>HEF</scalar>
</property>
</propertyList>
<atomArray
atomID="a1"
elementType="C"
mrvPseudo="fusedhetero"
x2="0.0"
y2="0.0"
/>
<bondArray>
</bondArray>
</molecule>
</MChemicalStruct>
</MDocument>
<MDocument>
<MChemicalStruct>
<molecule title="halogen" molID="m1">
<propertyList>
<property dictRef="sgroupState" title="sgroupState">
<scalar>expand</scalar>
</property>
<property dictRef="rotation.unit" title="rotation.unit">
<scalar>15</scalar>
</property>
<property dictRef="abbreviation" title="abbreviation">
<scalar>HAL</scalar>
</property>
</propertyList>
<atomArray
atomID="a1"
elementType="C"
mrvPseudo="halogen"
x2="0.0"
y2="0.0"
/>
<bondArray>
</bondArray>
</molecule>
</MChemicalStruct>
</MDocument>
<MDocument>
<MChemicalStruct>
<molecule title="halogen" molID="m1">
<propertyList>
<property dictRef="sgroupState" title="sgroupState">
<scalar>expand</scalar>
</property>
<property dictRef="rotation.unit" title="rotation.unit">
<scalar>15</scalar>
</property>
<property dictRef="abbreviation" title="abbreviation">
<scalar>X</scalar>
</property>
</propertyList>
<atomArray
atomID="a1"
elementType="C"
mrvPseudo="X"
x2="0.0"
y2="0.0"
/>
<bondArray>
</bondArray>
</molecule>
</MChemicalStruct>
</MDocument>
<MDocument>
<MChemicalStruct>
<molecule title="protecting" molID="m1">
<propertyList>
<property dictRef="sgroupState" title="sgroupState">
<scalar>expand</scalar>
</property>
<property dictRef="rotation.unit" title="rotation.unit">
<scalar>15</scalar>
</property>
<property dictRef="abbreviation" title="abbreviation">
<scalar>PRT</scalar>
</property>
</propertyList>
<atomArray
atomID="a1"
elementType="C"
mrvPseudo="protecting"
x2="0.0"
y2="0.0"
/>
<bondArray>
</bondArray>
</molecule>
</MChemicalStruct>
</MDocument>
<MDocument>
<MChemicalStruct>
<molecule title="unknown" molID="m1">
<propertyList>
<property dictRef="sgroupState" title="sgroupState">
<scalar>expand</scalar>
</property>
<property dictRef="rotation.unit" title="rotation.unit">
<scalar>15</scalar>
</property>
<property dictRef="abbreviation" title="abbreviation">
<scalar>UNK</scalar>
</property>
</propertyList>
<atomArray
atomID="a1"
elementType="C"
mrvPseudo="unknown"
x2="0.0"
y2="0.0"
/>
<bondArray>
</bondArray>
</molecule>
</MChemicalStruct>
</MDocument>
<MDocument>
<MChemicalStruct>
<molecule title="actinide" molID="m1">
<propertyList>
<property dictRef="sgroupState" title="sgroupState">
<scalar>expand</scalar>
</property>
<property dictRef="rotation.unit" title="rotation.unit">
<scalar>15</scalar>
</property>
<property dictRef="abbreviation" title="abbreviation">
<scalar>ACT</scalar>
</property>
</propertyList>
<atomArray
atomID="a1"
elementType="C"
mrvPseudo="actinide"
x2="0.0"
y2="0.0"
/>
<bondArray>
</bondArray>
</molecule>
</MChemicalStruct>
</MDocument>
<MDocument>
<MChemicalStruct>
<molecule title="lanthanide" molID="m1">
<propertyList>
<property dictRef="sgroupState" title="sgroupState">
<scalar>expand</scalar>
</property>
<property dictRef="rotation.unit" title="rotation.unit">
<scalar>15</scalar>
</property>
<property dictRef="abbreviation" title="abbreviation">
<scalar>LAN</scalar>
</property>
</propertyList>
<atomArray
atomID="a1"
elementType="C"
mrvPseudo="lanthanide"
x2="0.0"
y2="0.0"
/>
<bondArray>
</bondArray>
</molecule>
</MChemicalStruct>
</MDocument>
<MDocument>
<MChemicalStruct>
<molecule title="Group3a-5a metals" molID="m1">
<propertyList>
<property dictRef="sgroupState" title="sgroupState">
<scalar>expand</scalar>
</property>
<property dictRef="rotation.unit" title="rotation.unit">
<scalar>15</scalar>
</property>
<property dictRef="abbreviation" title="abbreviation">
<scalar>A35</scalar>
</property>
</propertyList>
<atomArray
atomID="a1"
elementType="C"
mrvPseudo="othermetal"
x2="0.0"
y2="0.0"
/>
<bondArray>
</bondArray>
</molecule>
</MChemicalStruct>
</MDocument>
<MDocument>
<MChemicalStruct>
<molecule title="metal" molID="m1">
<propertyList>
<property dictRef="sgroupState" title="sgroupState">
<scalar>expand</scalar>
</property>
<property dictRef="rotation.unit" title="rotation.unit">
<scalar>15</scalar>
</property>
<property dictRef="abbreviation" title="abbreviation">
<scalar>MX</scalar>
</property>
</propertyList>
<atomArray
atomID="a1"
elementType="C"
mrvPseudo="metal"
x2="0.0"
y2="0.0"
/>
<bondArray>
</bondArray>
</molecule>
</MChemicalStruct>
</MDocument>
<MDocument>
<MChemicalStruct>
<molecule title="transition metal" molID="m1">
<propertyList>
<property dictRef="sgroupState" title="sgroupState">
<scalar>expand</scalar>
</property>
<property dictRef="rotation.unit" title="rotation.unit">
<scalar>15</scalar>
</property>
<property dictRef="abbreviation" title="abbreviation">
<scalar>TRM</scalar>
</property>
</propertyList>
<atomArray
atomID="a1"
elementType="C"
mrvPseudo="transitionmetal"
x2="0.0"
y2="0.0"
/>
<bondArray>
</bondArray>
</molecule>
</MChemicalStruct>
</MDocument>
<MDocument>
<MChemicalStruct>
<molecule title="acyl" molID="m1">
<propertyList>
<property dictRef="sgroupState" title="sgroupState">
<scalar>expand</scalar>
</property>
<property dictRef="rotation.unit" title="rotation.unit">
<scalar>15</scalar>
</property>
<property dictRef="abbreviation" title="abbreviation">
<scalar>ACY</scalar>
</property>
</propertyList>
<atomArray
atomID="a1"
elementType="C"
mrvPseudo="acyl"
x2="0.0"
y2="0.0"
/>
<bondArray>
</bondArray>
</molecule>
</MChemicalStruct>
</MDocument>
<MDocument>
<MChemicalStruct>
<molecule title="GroupI-II metals" molID="m1">
<propertyList>
<property dictRef="sgroupState" title="sgroupState">
<scalar>expand</scalar>
</property>
<property dictRef="rotation.unit" title="rotation.unit">
<scalar>15</scalar>
</property>
<property dictRef="abbreviation" title="abbreviation">
<scalar>AMX</scalar>
</property>
</propertyList>
<atomArray
atomID="a1"
elementType="C"
mrvPseudo="alkalimetal"
x2="0.0"
y2="0.0"
/>
<bondArray>
</bondArray>
</molecule>
</MChemicalStruct>
</MDocument>
</cml>
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