PC-Compound
Defined in file pcsubstance.asn
C++ class: CPC_Compound
PC-Compound ::= SEQUENCE {
-- Tracking Information
id PC-CompoundType, -- Compound Qualifier (Type/ID)
atoms PC-Atoms OPTIONAL, -- AtomID/Type Information
bonds PC-Bonds OPTIONAL, -- BondID/Type/Atom Information
stereo SEQUENCE OF PC-StereoCenter OPTIONAL, -- StereoCenter Descriptions
coords SEQUENCE OF PC-Coordinates OPTIONAL, -- 2D/3D Coordinate Sets of Compound
charge INTEGER OPTIONAL, -- Provided Total Formal Charge (Signed Integer)
props SEQUENCE OF PC-InfoData OPTIONAL, -- Derived (computed) Properties
stereogroups SEQUENCE OF PC-StereoGroup OPTIONAL, -- Relative stereochemistry groups
count PC-Count OPTIONAL, -- Counts of various properties
vbalt PC-Compounds OPTIONAL, -- Alternate Valence-Bond Forms
groups SEQUENCE OF PC-Group OPTIONAL -- Superatom groups
}