; [ defaults ]
 ; nbfunc        comb-rule       gen-pairs       fudgeLJ fudgeQQ
;   1             1               no              1.0     1.0
#include "ffgmx.itp"
#include "spc.itp"

 [ moleculetype ]
 ;name nrexcl
CCL      3
;       
;       
;       This file was generated by PRODRG version  30403
;       PRODRG written/copyrighted by Daan van Aalten
;       
;       Questions/comments to dava@davapc1.bioch.dundee.ac.uk
;       
;       When using this software in a publication, cite:
;       D.M.F. van Aalten, R. Bywater, J.B.C. Findlay, 
;       M. Hendlich, R.W.W. Hooft and G. Vriend, 
;       PRODRG, a program for generating molecular topologies
;       and unique molecular descriptors from coordinates
;       of small molecules.
;       Journal of Computer Aided Molecular Design (1996), 10, 255-262.
;       
;       
 [ atoms ]
 ;  nr  type resnr resid  atom  cgnr charge
     1    CL     1 CCL     CL1     1   -0.087
     2   CH1     1 CCL       C     2    0.261
     3    CL     1 CCL     CL2     3   -0.087
     4    CL     1 CCL     CL3     4   -0.087
 [ bonds ]
 ;ai  aj  fu    c0          c1
   1   2   1 0.178   3765600.0 0.178   3765600.0 ;   CL1    C
   2   3   1 0.178   3765600.0 0.178   3765600.0 ;     C  CL2
   2   4   1 0.178   3765600.0 0.178   3765600.0 ;     C  CL3
 [ pairs ]
 ;ai  aj  fu    c0          c1
 [ angles ]
 ;ai  aj  ak  fu    c0          c1
   1   2   3   1 111.0       460.2 111.0       460.2 ;  CL1     C CL2
   1   2   4   1 111.0       460.2 111.0       460.2 ;  CL1     C CL3
   3   2   4   1 111.0       460.2 111.0       460.2 ;  CL2     C CL3
 [ dihedrals ]
 ;ai  aj  ak  al  fu    c0    c1 m  c0   c1 m
   2   1   3   4   2  35.3  836.8 0  35.3  836.8 0 ; IDI     C CL1 CL2 CL3

 [ system ]
 PRODRG

 [ molecules ]
 CCL  216