%VERSION  VERSION_STAMP = V0001.000  DATE = 02/14/24  09:29:49                  
%FLAG TITLE                                                                     
%FORMAT(20a4)                                                                   
*****                                                                           
%FLAG POINTERS                                                                  
%FORMAT(10I8)                                                                   
       5       2       4       0       6       0       0       0       0       0
      11       1       0       0       0       1       1       0       2       0
       0       0       0       0       0       0       0       0       5       0
       0
%FLAG ATOM_NAME                                                                 
%FORMAT(20a4)                                                                   
C   H   H1  H2  H3  
%FLAG CHARGE                                                                    
%FORMAT(5E16.8)                                                                 
 -1.98258624E+00  4.86535410E-01  4.86535410E-01  4.86535410E-01  4.86535410E-01
%FLAG ATOMIC_NUMBER                                                             
%FORMAT(10I8)                                                                   
       6       1       1       1       1
%FLAG MASS                                                                      
%FORMAT(5E16.8)                                                                 
  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.00800000E+00
%FLAG ATOM_TYPE_INDEX                                                           
%FORMAT(10I8)                                                                   
       1       2       2       2       2
%FLAG NUMBER_EXCLUDED_ATOMS                                                     
%FORMAT(10I8)                                                                   
       4       3       2       1       1
%FLAG NONBONDED_PARM_INDEX                                                      
%FORMAT(10I8)                                                                   
       1       2       2       3
%FLAG RESIDUE_LABEL                                                             
%FORMAT(20a4)                                                                   
UNL 
%FLAG RESIDUE_POINTER                                                           
%FORMAT(10I8)                                                                   
       1
%FLAG BOND_FORCE_CONSTANT                                                       
%FORMAT(5E16.8)                                                                 
  3.45250000E+02
%FLAG BOND_EQUIL_VALUE                                                          
%FORMAT(5E16.8)                                                                 
  1.09620000E+00
%FLAG ANGLE_FORCE_CONSTANT                                                      
%FORMAT(5E16.8)                                                                 
  3.58000000E+01
%FLAG ANGLE_EQUIL_VALUE                                                         
%FORMAT(5E16.8)                                                                 
  1.88024401E+00
%FLAG DIHEDRAL_FORCE_CONSTANT                                                   
%FORMAT(5E16.8)                                                                 

%FLAG DIHEDRAL_PERIODICITY                                                      
%FORMAT(5E16.8)                                                                 

%FLAG DIHEDRAL_PHASE                                                            
%FORMAT(5E16.8)                                                                 

%FLAG SCEE_SCALE_FACTOR                                                         
%FORMAT(5E16.8)                                                                 

%FLAG SCNB_SCALE_FACTOR                                                         
%FORMAT(5E16.8)                                                                 

%FLAG SOLTY                                                                     
%FORMAT(5E16.8)                                                                 
  0.00000000E+00  0.00000000E+00
%FLAG LENNARD_JONES_ACOEF                                                       
%FORMAT(5E16.8)                                                                 
  1.02073671E+06  1.00235148E+05  7.94617769E+03
%FLAG LENNARD_JONES_BCOEF                                                       
%FORMAT(5E16.8)                                                                 
  6.63431737E+02  1.37787728E+02  2.57122925E+01
%FLAG BONDS_INC_HYDROGEN                                                        
%FORMAT(10I8)                                                                   
       0       3       1       0       6       1       0       9       1       0
      12       1
%FLAG BONDS_WITHOUT_HYDROGEN                                                    
%FORMAT(10I8)                                                                   

%FLAG ANGLES_INC_HYDROGEN                                                       
%FORMAT(10I8)                                                                   
       3       0       6       1       3       0       9       1       3       0
      12       1       6       0       9       1       6       0      12       1
       9       0      12       1
%FLAG ANGLES_WITHOUT_HYDROGEN                                                   
%FORMAT(10I8)                                                                   

%FLAG DIHEDRALS_INC_HYDROGEN                                                    
%FORMAT(10I8)                                                                   

%FLAG DIHEDRALS_WITHOUT_HYDROGEN                                                
%FORMAT(10I8)                                                                   

%FLAG EXCLUDED_ATOMS_LIST                                                       
%FORMAT(10I8)                                                                   
       2       3       4       5       3       4       5       4       5       5
       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  hc  hc  hc  hc  
%FLAG TREE_CHAIN_CLASSIFICATION                                                 
%FORMAT(20a4)                                                                   
BLA BLA BLA BLA BLA 
%FLAG JOIN_ARRAY                                                                
%FORMAT(10I8)                                                                   
       0       0       0       0       0
%FLAG IROTAT                                                                    
%FORMAT(10I8)                                                                   
       0       0       0       0       0
%FLAG RADIUS_SET                                                                
%FORMAT(1a80)                                                                   
modified Bondi radii (mbondi)                                                   
%FLAG RADII                                                                     
%FORMAT(5E16.8)                                                                 
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.30000000E+00  1.30000000E+00
%FLAG SCREEN                                                                    
%FORMAT(5E16.8)                                                                 
  7.20000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01
%FLAG IPOL                                                                      
%FORMAT(1I8)                                                                    
       0
