Stereovertex lists

Another approach, which lends itself particularly to forms of stereochemistry involving non-tetrahedral geometries e.g. in coordination compounds) is the stereovertex list. Here, the atom numbers around the stereocentre are mapped as an n-tuple onto the corners of a standard polyhedron representing the geometry in question, and stored separately from the main connection table. ... 

The exchange file format MIF (molecular information file, see below) can code stereochemistry using stereovertex lists like those discussed above. 

CXF (chemical exchange format) is CAS external structure and non-structural data format. The stereochemical features include (among others) CIP labels, template based labels, optical rotation, and coordination geometries with stereovertex lists. The format is designed to cover all details of CAS internal representation needed for the Registry service. ... 

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