31 lines
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1.8 KiB
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31 lines
No EOL
1.8 KiB
HTML
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<title>PC-Compound</title>
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<h3>PC-Compound</h3><pre>Defined in file <a href="pcsubstance.asn.html">pcsubstance.asn</a>
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C++ class: <a href="../doxyhtml/classCPC__Compound.html">CPC_Compound</a>
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PC-Compound ::= SEQUENCE {
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-- Tracking Information
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id <a href="PC-CompoundType.html">PC-CompoundType</a>, -- Compound Qualifier (Type/ID)
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atoms <a href="PC-Atoms.html">PC-Atoms</a> OPTIONAL, -- AtomID/Type Information
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bonds <a href="PC-Bonds.html">PC-Bonds</a> OPTIONAL, -- BondID/Type/<a href="Atom.html">Atom</a> Information
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stereo SEQUENCE OF <a href="PC-StereoCenter.html">PC-StereoCenter</a> OPTIONAL, -- StereoCenter Descriptions
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coords SEQUENCE OF <a href="PC-Coordinates.html">PC-Coordinates</a> OPTIONAL, -- 2D/3D Coordinate Sets of Compound
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charge INTEGER OPTIONAL, -- Provided Total Formal Charge (Signed Integer)
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props SEQUENCE OF <a href="PC-InfoData.html">PC-InfoData</a> OPTIONAL, -- Derived (computed) Properties
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stereogroups SEQUENCE OF <a href="PC-StereoGroup.html">PC-StereoGroup</a> OPTIONAL, -- Relative stereochemistry groups
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count <a href="PC-Count.html">PC-Count</a> OPTIONAL, -- Counts of various properties
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vbalt <a href="PC-Compounds.html">PC-Compounds</a> OPTIONAL, -- Alternate Valence-Bond Forms
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groups SEQUENCE OF <a href="PC-Group.html">PC-Group</a> OPTIONAL -- Superatom groups
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}</pre>
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