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/CTABG


Key line:
/CTABG,m+n,NAtom      (A7,1X,I4,1X,I4)
Data line:
 
StrucName             m(1X,70A1,/) 
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This format is obsolete and is described for reference purposes only.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