%VERSION  VERSION_STAMP = V0001.000  DATE = 01/12/17  15:34:15                  
%FLAG TITLE                                                                     
%FORMAT(20a4)                                                                   
(E)-1,2-dichloroethylene                                                        
%FLAG POINTERS                                                                  
%FORMAT(10I8)                                                                   
       6       3       2       3       4       2       5       1       0       0
      16       1       3       2       1       3       3       2       3       0
       0       0       0       0       0       0       0       0       6       0
       0
%FLAG ATOM_NAME                                                                 
%FORMAT(20a4)                                                                   
C1  C2  Cl1 Cl2 H1  H2  
%FLAG CHARGE                                                                    
%FORMAT(5E16.8)                                                                 
 -1.27738323E+00 -1.27556100E+00 -1.72929627E+00 -1.72929627E+00  3.00667950E+00
  3.00667950E+00
%FLAG ATOMIC_NUMBER                                                             
%FORMAT(10I8)                                                                   
       6       6      17      17       1       1
%FLAG MASS                                                                      
%FORMAT(5E16.8)                                                                 
  1.20100000E+01  1.20100000E+01  3.54500000E+01  3.54500000E+01  1.00800000E+00
  1.00800000E+00
%FLAG ATOM_TYPE_INDEX                                                           
%FORMAT(10I8)                                                                   
       1       1       2       2       3       3
%FLAG NUMBER_EXCLUDED_ATOMS                                                     
%FORMAT(10I8)                                                                   
       5       4       3       2       1       1
%FLAG NONBONDED_PARM_INDEX                                                      
%FORMAT(10I8)                                                                   
       1       2       4       2       3       5       4       5       6
%FLAG RESIDUE_LABEL                                                             
%FORMAT(20a4)                                                                   
MOL 
%FLAG RESIDUE_POINTER                                                           
%FORMAT(10I8)                                                                   
       1
%FLAG BOND_FORCE_CONSTANT                                                       
%FORMAT(5E16.8)                                                                 
  5.89700000E+02  3.28800000E+02  3.48600000E+02
%FLAG BOND_EQUIL_VALUE                                                          
%FORMAT(5E16.8)                                                                 
  1.32400000E+00  1.72200000E+00  1.08400000E+00
%FLAG ANGLE_FORCE_CONSTANT                                                      
%FORMAT(5E16.8)                                                                 
  5.84300000E+01  4.97500000E+01  4.07600000E+01
%FLAG ANGLE_EQUIL_VALUE                                                         
%FORMAT(5E16.8)                                                                 
  2.14413791E+00  2.13872738E+00  1.98566194E+00
%FLAG DIHEDRAL_FORCE_CONSTANT                                                   
%FORMAT(5E16.8)                                                                 
  6.65000000E+00  1.10000000E+00
%FLAG DIHEDRAL_PERIODICITY                                                      
%FORMAT(5E16.8)                                                                 
  2.00000000E+00  2.00000000E+00
%FLAG DIHEDRAL_PHASE                                                            
%FORMAT(5E16.8)                                                                 
  3.14159400E+00  3.14159400E+00
%FLAG SCEE_SCALE_FACTOR                                                         
%FORMAT(5E16.8)                                                                 
  1.20000000E+00  0.00000000E+00
%FLAG SCNB_SCALE_FACTOR                                                         
%FORMAT(5E16.8)                                                                 
  2.00000000E+00  0.00000000E+00
%FLAG SOLTY                                                                     
%FORMAT(5E16.8)                                                                 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
%FLAG LENNARD_JONES_ACOEF                                                       
%FORMAT(5E16.8)                                                                 
  8.19971662E+05  1.63123475E+06  3.24095688E+06  6.37148278E+04  1.29147101E+05
  3.76169105E+03
%FLAG LENNARD_JONES_BCOEF                                                       
%FORMAT(5E16.8)                                                                 
  5.31102864E+02  9.92485818E+02  1.85348706E+03  9.56748258E+01  1.80470661E+02
  1.50233639E+01
%FLAG BONDS_INC_HYDROGEN                                                        
%FORMAT(10I8)                                                                   
       0      12       3       3      15       3
%FLAG BONDS_WITHOUT_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
       0       3       1       0       9       2       3       6       2
%FLAG ANGLES_INC_HYDROGEN                                                       
%FORMAT(10I8)                                                                   
       0       3      15       2       3       0      12       2       6       3
      15       3       9       0      12       3
%FLAG ANGLES_WITHOUT_HYDROGEN                                                   
%FORMAT(10I8)                                                                   
       0       3       6       1       3       0       9       1
%FLAG DIHEDRALS_INC_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
      12       0       3       6       1       9       0       3      15       1
      12       0       3      15       1      12       0      -9      -3       2
       0       6      -3     -15       2
%FLAG DIHEDRALS_WITHOUT_HYDROGEN                                                
%FORMAT(10I8)                                                                   
       9       0       3       6       1
%FLAG EXCLUDED_ATOMS_LIST                                                       
%FORMAT(10I8)                                                                   
       2       3       4       5       6       3       4       5       6       4
       5       6       5       6       6       0
%FLAG HBOND_ACOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBOND_BCOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBCUT                                                                     
%FORMAT(5E16.8)                                                                 

%FLAG AMBER_ATOM_TYPE                                                           
%FORMAT(20a4)                                                                   
c2  c2  cl  cl  h4  h4  
%FLAG TREE_CHAIN_CLASSIFICATION                                                 
%FORMAT(20a4)                                                                   
BLA BLA BLA BLA BLA BLA 
%FLAG JOIN_ARRAY                                                                
%FORMAT(10I8)                                                                   
       0       0       0       0       0       0
%FLAG IROTAT                                                                    
%FORMAT(10I8)                                                                   
       0       0       0       0       0       0
%FLAG RADIUS_SET                                                                
%FORMAT(1a80)                                                                   
modified Bondi radii (mbondi)                                                   
%FLAG RADII                                                                     
%FORMAT(5E16.8)                                                                 
  1.70000000E+00  1.70000000E+00  1.70000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00
%FLAG SCREEN                                                                    
%FORMAT(5E16.8)                                                                 
  7.20000000E-01  7.20000000E-01  8.00000000E-01  8.00000000E-01  8.50000000E-01
  8.50000000E-01
%FLAG IPOL                                                                      
%FORMAT(1I8)                                                                    
       0