%VERSION  VERSION_STAMP = V0001.000  DATE = 03/27/08  09:02:32                  
%FLAG TITLE                                                                     
%FORMAT(20a4)                                                                   
*****                                                                           
%FLAG POINTERS                                                                  
%FORMAT(10I8)                                                                   
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       0
%FLAG ATOM_NAME                                                                 
%FORMAT(20a4)                                                                   
S1  H1  H2  
%FLAG CHARGE                                                                    
%FORMAT(5E16.8)                                                                 
 -8.00141193E+00  3.99979485E+00  3.99979485E+00
%FLAG MASS                                                                      
%FORMAT(5E16.8)                                                                 
  3.20600000E+01  1.00800000E+00  1.00800000E+00
%FLAG ATOM_TYPE_INDEX                                                           
%FORMAT(10I8)                                                                   
       1       2       2
%FLAG NUMBER_EXCLUDED_ATOMS                                                     
%FORMAT(10I8)                                                                   
       2       1       1
%FLAG NONBONDED_PARM_INDEX                                                      
%FORMAT(10I8)                                                                   
       1       2       2       3
%FLAG RESIDUE_LABEL                                                             
%FORMAT(20a4)                                                                   
TMP 
%FLAG RESIDUE_POINTER                                                           
%FORMAT(10I8)                                                                   
       1
%FLAG BOND_FORCE_CONSTANT                                                       
%FORMAT(5E16.8)                                                                 
  3.02200000E+02
%FLAG BOND_EQUIL_VALUE                                                          
%FORMAT(5E16.8)                                                                 
  1.33700000E+00
%FLAG ANGLE_FORCE_CONSTANT                                                      
%FORMAT(5E16.8)                                                                 
  3.74000000E+01
%FLAG ANGLE_EQUIL_VALUE                                                         
%FORMAT(5E16.8)                                                                 
  1.63572328E+00
%FLAG DIHEDRAL_FORCE_CONSTANT                                                   
%FORMAT(5E16.8)                                                                 

%FLAG DIHEDRAL_PERIODICITY                                                      
%FORMAT(5E16.8)                                                                 

%FLAG DIHEDRAL_PHASE                                                            
%FORMAT(5E16.8)                                                                 

%FLAG SOLTY                                                                     
%FORMAT(5E16.8)                                                                 
  0.00000000E+00  0.00000000E+00
%FLAG LENNARD_JONES_ACOEF                                                       
%FORMAT(5E16.8)                                                                 
  4.19430400E+06  5.97860700E+03  1.39982777E-01
%FLAG LENNARD_JONES_BCOEF                                                       
%FORMAT(5E16.8)                                                                 
  2.04800000E+03  3.87070358E+01  9.37598976E-02
%FLAG BONDS_INC_HYDROGEN                                                        
%FORMAT(10I8)                                                                   
       0       3       1       0       6       1
%FLAG BONDS_WITHOUT_HYDROGEN                                                    
%FORMAT(10I8)                                                                   

%FLAG ANGLES_INC_HYDROGEN                                                       
%FORMAT(10I8)                                                                   
       3       0       6       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       3       0
%FLAG HBOND_ACOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBOND_BCOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBCUT                                                                     
%FORMAT(5E16.8)                                                                 

%FLAG AMBER_ATOM_TYPE                                                           
%FORMAT(20a4)                                                                   
sh  hs  hs  
%FLAG TREE_CHAIN_CLASSIFICATION                                                 
%FORMAT(20a4)                                                                   
BLA BLA BLA 
%FLAG JOIN_ARRAY                                                                
%FORMAT(10I8)                                                                   
       0       0       0
%FLAG IROTAT                                                                    
%FORMAT(10I8)                                                                   
       0       0       0
%FLAG RADII                                                                     
%FORMAT(5E16.8)                                                                 
  1.80000000E+00  8.00000000E-01  8.00000000E-01
%FLAG SCREEN                                                                    
%FORMAT(5E16.8)                                                                 
  9.60000000E-01  8.50000000E-01  8.50000000E-01