PSF EXT

         1 !NTITLE
   CP2K generated DUMP of connectivity

         4 !NATOM
         1 MOL1     1        TIP      OW      OW      0.000000        15.999           0
         2 MOL1     1        TIP      HW      HW      0.520000         1.008           0
         3 MOL1     1        TIP      HW      HW      0.520000         1.008           0
         4 MOL1     1        TIP      MW      MW     -1.040000         0.000           0


         5 !NBOND
         1         2         1         3         2         4         3         4
         1         4 


         1 !NTHETA
         2         1         3 


         0 !NPHI


         0 !NIMPHI


         0 !NDON


         0 !NACC


         0 !NNB


