%VERSION  VERSION_STAMP = V0001.000  DATE = 01/12/17  15:32:34                  
%FLAG TITLE                                                                     
%FORMAT(20a4)                                                                   
ethane                                                                          
%FLAG POINTERS                                                                  
%FORMAT(10I8)                                                                   
       8       2       6       1      12       0       9       0       0       0
      29       1       1       0       0       2       2       1       2       0
       0       0       0       0       0       0       0       0       8       0
       0
%FLAG ATOM_NAME                                                                 
%FORMAT(20a4)                                                                   
C1  C2  H1  H2  H3  H4  H5  H6  
%FLAG CHARGE                                                                    
%FORMAT(5E16.8)                                                                 
 -1.70925174E+00 -1.70925174E+00  5.70357990E-01  5.70357990E-01  5.70357990E-01
  5.70357990E-01  5.70357990E-01  5.70357990E-01
%FLAG ATOMIC_NUMBER                                                             
%FORMAT(10I8)                                                                   
       6       6       1       1       1       1       1       1
%FLAG MASS                                                                      
%FORMAT(5E16.8)                                                                 
  1.20100000E+01  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.00800000E+00
  1.00800000E+00  1.00800000E+00  1.00800000E+00
%FLAG ATOM_TYPE_INDEX                                                           
%FORMAT(10I8)                                                                   
       1       1       2       2       2       2       2       2
%FLAG NUMBER_EXCLUDED_ATOMS                                                     
%FORMAT(10I8)                                                                   
       7       6       5       4       3       2       1       1
%FLAG NONBONDED_PARM_INDEX                                                      
%FORMAT(10I8)                                                                   
       1       2       2       3
%FLAG RESIDUE_LABEL                                                             
%FORMAT(20a4)                                                                   
MOL 
%FLAG RESIDUE_POINTER                                                           
%FORMAT(10I8)                                                                   
       1
%FLAG BOND_FORCE_CONSTANT                                                       
%FORMAT(5E16.8)                                                                 
  3.03100000E+02  3.37300000E+02
%FLAG BOND_EQUIL_VALUE                                                          
%FORMAT(5E16.8)                                                                 
  1.53500000E+00  1.09200000E+00
%FLAG ANGLE_FORCE_CONSTANT                                                      
%FORMAT(5E16.8)                                                                 
  4.63700000E+01  3.94300000E+01
%FLAG ANGLE_EQUIL_VALUE                                                         
%FORMAT(5E16.8)                                                                 
  1.92073567E+00  1.89106506E+00
%FLAG DIHEDRAL_FORCE_CONSTANT                                                   
%FORMAT(5E16.8)                                                                 
  1.50000000E-01
%FLAG DIHEDRAL_PERIODICITY                                                      
%FORMAT(5E16.8)                                                                 
  3.00000000E+00
%FLAG DIHEDRAL_PHASE                                                            
%FORMAT(5E16.8)                                                                 
  0.00000000E+00
%FLAG SCEE_SCALE_FACTOR                                                         
%FORMAT(5E16.8)                                                                 
  1.20000000E+00
%FLAG SCNB_SCALE_FACTOR                                                         
%FORMAT(5E16.8)                                                                 
  2.00000000E+00
%FLAG SOLTY                                                                     
%FORMAT(5E16.8)                                                                 
  0.00000000E+00  0.00000000E+00
%FLAG LENNARD_JONES_ACOEF                                                       
%FORMAT(5E16.8)                                                                 
  1.04308023E+06  9.71708117E+04  7.51607703E+03
%FLAG LENNARD_JONES_BCOEF                                                       
%FORMAT(5E16.8)                                                                 
  6.75612247E+02  1.26919150E+02  2.17257828E+01
%FLAG BONDS_INC_HYDROGEN                                                        
%FORMAT(10I8)                                                                   
       0       6       2       0       9       2       0      12       2       3
      15       2       3      18       2       3      21       2
%FLAG BONDS_WITHOUT_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
       0       3       1
%FLAG ANGLES_INC_HYDROGEN                                                       
%FORMAT(10I8)                                                                   
       0       3      15       1       0       3      18       1       0       3
      21       1       3       0       6       1       3       0       9       1
       3       0      12       1       6       0       9       2       6       0
      12       2       9       0      12       2      15       3      18       2
      15       3      21       2      18       3      21       2
%FLAG ANGLES_WITHOUT_HYDROGEN                                                   
%FORMAT(10I8)                                                                   

%FLAG DIHEDRALS_INC_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
       6       0       3      15       1       6       0       3      18       1
       6       0       3      21       1       9       0       3      15       1
       9       0       3      18       1       9       0       3      21       1
      12       0       3      15       1      12       0       3      18       1
      12       0       3      21       1
%FLAG DIHEDRALS_WITHOUT_HYDROGEN                                                
%FORMAT(10I8)                                                                   

%FLAG EXCLUDED_ATOMS_LIST                                                       
%FORMAT(10I8)                                                                   
       2       3       4       5       6       7       8       3       4       5
       6       7       8       4       5       6       7       8       5       6
       7       8       6       7       8       7       8       8       0
%FLAG HBOND_ACOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBOND_BCOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBCUT                                                                     
%FORMAT(5E16.8)                                                                 

%FLAG AMBER_ATOM_TYPE                                                           
%FORMAT(20a4)                                                                   
c3  c3  hc  hc  hc  hc  hc  hc  
%FLAG TREE_CHAIN_CLASSIFICATION                                                 
%FORMAT(20a4)                                                                   
BLA BLA BLA BLA BLA BLA BLA BLA 
%FLAG JOIN_ARRAY                                                                
%FORMAT(10I8)                                                                   
       0       0       0       0       0       0       0       0
%FLAG IROTAT                                                                    
%FORMAT(10I8)                                                                   
       0       0       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  1.30000000E+00  1.30000000E+00  1.30000000E+00
  1.30000000E+00  1.30000000E+00  1.30000000E+00
%FLAG SCREEN                                                                    
%FORMAT(5E16.8)                                                                 
  7.20000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01
  8.50000000E-01  8.50000000E-01  8.50000000E-01
%FLAG IPOL                                                                      
%FORMAT(1I8)                                                                    
       0