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/CTAB


Key line:
/CTAB,n,NAtom (A7,1X,I4,1X,I4)
Data line:
 
CTAB.AtNum,            n(1X,I3, 
CTAB.Weight,           1X,I3, 
CTAB.Attribute,        1X,I3, 
CTAB.Charge,           1X,I2, 
CTAB.XCoord,           1X,I5, 
CTAB.YCoord,           1X,I5, 
CTAB.ConnTo[1..8],     8(1X,I2), 
CTAB.TypConn[1..8]     8(1X,I1)) 
one line per atom !  
Default: -

This format is obsolete and is described for reference purposes only. All programs which are still using this format should be adapted to use the keyword /CONTAB.



Last Update: 2012-Oct-20