PSF

       3 !NTITLE
 REMARKS original generated structure x-plor psf file
 REMARKS topology top_methane.inp 
 REMARKS segment METH { first NONE; last NONE; auto angles dihedrals }

       5 !NATOM
       1 METH 1    METH CB   CT3   -0.560000       12.0110           0
       2 METH 1    METH HB1  HA     0.140000        1.0080           0
       3 METH 1    METH HB2  HA     0.140000        1.0080           0
       4 METH 1    METH HB3  HA     0.140000        1.0080           0
       5 METH 1    METH HB4  HA     0.140000        1.0080           0

       4 !NBOND: bonds
       1       2       1       3       1       4       1       5

       6 !NTHETA: angles
       2       1       5       2       1       4       2       1       3
       3       1       5       3       1       4       4       1       5

       0 !NPHI: dihedrals


       0 !NIMPHI: impropers


       0 !NDON: donors


       0 !NACC: acceptors


       0 !NNB

       0       0       0       0       0

       1       0 !NGRP
       0       0       0