%VERSION  VERSION_STAMP = V0001.000  DATE = 01/12/17  15:36:08                  
%FLAG TITLE                                                                     
%FORMAT(20a4)                                                                   
methanol                                                                        
%FLAG POINTERS                                                                  
%FORMAT(10I8)                                                                   
       6       4       4       1       7       0       3       0       0       0
      16       1       1       0       0       3       3       1       4       0
       0       0       0       0       0       0       0       0       6       0
       0
%FLAG ATOM_NAME                                                                 
%FORMAT(20a4)                                                                   
C1  O1  H1  H2  H3  H4  
%FLAG CHARGE                                                                    
%FORMAT(5E16.8)                                                                 
  2.12472018E+00 -1.09060466E+01  5.19335550E-01  5.19335550E-01  5.19335550E-01
  7.22514195E+00
%FLAG ATOMIC_NUMBER                                                             
%FORMAT(10I8)                                                                   
       6       8       1       1       1       1
%FLAG MASS                                                                      
%FORMAT(5E16.8)                                                                 
  1.20100000E+01  1.60000000E+01  1.00800000E+00  1.00800000E+00  1.00800000E+00
  1.00800000E+00
%FLAG ATOM_TYPE_INDEX                                                           
%FORMAT(10I8)                                                                   
       1       2       3       3       3       4
%FLAG NUMBER_EXCLUDED_ATOMS                                                     
%FORMAT(10I8)                                                                   
       5       4       3       2       1       1
%FLAG NONBONDED_PARM_INDEX                                                      
%FORMAT(10I8)                                                                   
       1       2       4       7       2       3       5       8       4       5
       6       9       7       8       9      10
%FLAG RESIDUE_LABEL                                                             
%FORMAT(20a4)                                                                   
MOL 
%FLAG RESIDUE_POINTER                                                           
%FORMAT(10I8)                                                                   
       1
%FLAG BOND_FORCE_CONSTANT                                                       
%FORMAT(5E16.8)                                                                 
  3.14100000E+02  3.35900000E+02  3.69600000E+02
%FLAG BOND_EQUIL_VALUE                                                          
%FORMAT(5E16.8)                                                                 
  1.42600000E+00  1.09300000E+00  9.74000000E-01
%FLAG ANGLE_FORCE_CONSTANT                                                      
%FORMAT(5E16.8)                                                                 
  4.70900000E+01  5.09700000E+01  3.91800000E+01
%FLAG ANGLE_EQUIL_VALUE                                                         
%FORMAT(5E16.8)                                                                 
  1.88774893E+00  1.91776860E+00  1.91200902E+00
%FLAG DIHEDRAL_FORCE_CONSTANT                                                   
%FORMAT(5E16.8)                                                                 
  1.66666667E-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  0.00000000E+00  0.00000000E+00
%FLAG LENNARD_JONES_ACOEF                                                       
%FORMAT(5E16.8)                                                                 
  1.04308023E+06  7.91544157E+05  5.81803229E+05  6.78771368E+04  4.66922514E+04
  3.25969625E+03  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
%FLAG LENNARD_JONES_BCOEF                                                       
%FORMAT(5E16.8)                                                                 
  6.75612247E+02  6.93079947E+02  6.99746810E+02  1.06076943E+02  1.03606917E+02
  1.43076527E+01  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
%FLAG BONDS_INC_HYDROGEN                                                        
%FORMAT(10I8)                                                                   
       0       6       2       0       9       2       0      12       2       3
      15       3
%FLAG BONDS_WITHOUT_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
       0       3       1
%FLAG ANGLES_INC_HYDROGEN                                                       
%FORMAT(10I8)                                                                   
       0       3      15       1       3       0       6       2       3       0
       9       2       3       0      12       2       6       0       9       3
       6       0      12       3       9       0      12       3
%FLAG ANGLES_WITHOUT_HYDROGEN                                                   
%FORMAT(10I8)                                                                   

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

%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)                                                                   
c3  oh  h1  h1  h1  ho  
%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  1.50000000E+00  1.30000000E+00  1.30000000E+00  1.30000000E+00
  8.00000000E-01
%FLAG SCREEN                                                                    
%FORMAT(5E16.8)                                                                 
  7.20000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01
  8.50000000E-01
%FLAG IPOL                                                                      
%FORMAT(1I8)                                                                    
       0