PSF EXT
 
         1 !NTITLE
    PSF file for WATER
 
         3 !NATOM
         1 H2O             1 H2O      H       H       0.000000         1.008           0
         2 H2O             1 H2O      O       O       0.000000        16.000           0
         3 H2O             1 H2O      H       H       0.000000         1.000           0
  
         2 !NBOND
         1         2         2         3
 
         1 !NTHETA
         1         2         3
 
         0 !NPHI
 
         0 !NIMPHI
 
         0 !NDON
 
         0 !NACC
 
         0 !NNB
 
         0 !NGRP
 
