%VERSION  VERSION_STAMP = V0001.000  DATE = 02/02/05  20:19:47                  
%FLAG TITLE                                                                     
%FORMAT(20a4)                                                                   
ACE                                                                             
%FLAG POINTERS                                                                  
%FORMAT(10I8)                                                                   
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%FLAG ATOM_NAME                                                                 
%FORMAT(20a4)                                                                   
HH31CH3 HH32HH33C   O   
%FLAG CHARGE                                                                    
%FORMAT(5E16.8)                                                                 
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%FLAG MASS                                                                      
%FORMAT(5E16.8)                                                                 
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%FLAG ATOM_TYPE_INDEX                                                           
%FORMAT(10I8)                                                                   
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%FLAG NUMBER_EXCLUDED_ATOMS                                                     
%FORMAT(10I8)                                                                   
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%FLAG NONBONDED_PARM_INDEX                                                      
%FORMAT(10I8)                                                                   
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%FLAG RESIDUE_LABEL                                                             
%FORMAT(20a4)                                                                   
ACE 
%FLAG RESIDUE_POINTER                                                           
%FORMAT(10I8)                                                                   
       1
%FLAG BOND_FORCE_CONSTANT                                                       
%FORMAT(5E16.8)                                                                 
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%FLAG BOND_EQUIL_VALUE                                                          
%FORMAT(5E16.8)                                                                 
  1.09000000E+00  1.52200000E+00  1.22900000E+00
%FLAG ANGLE_FORCE_CONSTANT                                                      
%FORMAT(5E16.8)                                                                 
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%FLAG ANGLE_EQUIL_VALUE                                                         
%FORMAT(5E16.8)                                                                 
  1.91113635E+00  1.91113635E+00  2.10137732E+00
%FLAG DIHEDRAL_FORCE_CONSTANT                                                   
%FORMAT(5E16.8)                                                                 
  8.00000000E-01  8.00000000E-02
%FLAG DIHEDRAL_PERIODICITY                                                      
%FORMAT(5E16.8)                                                                 
  1.00000000E+00  3.00000000E+00
%FLAG DIHEDRAL_PHASE                                                            
%FORMAT(5E16.8)                                                                 
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%FLAG SOLTY                                                                     
%FORMAT(5E16.8)                                                                 
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%FLAG LENNARD_JONES_ACOEF                                                       
%FORMAT(5E16.8)                                                                 
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%FLAG LENNARD_JONES_BCOEF                                                       
%FORMAT(5E16.8)                                                                 
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%FLAG BONDS_INC_HYDROGEN                                                        
%FORMAT(10I8)                                                                   
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%FLAG BONDS_WITHOUT_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
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%FLAG ANGLES_INC_HYDROGEN                                                       
%FORMAT(10I8)                                                                   
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%FLAG ANGLES_WITHOUT_HYDROGEN                                                   
%FORMAT(10I8)                                                                   
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%FLAG DIHEDRALS_INC_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
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%FLAG DIHEDRALS_WITHOUT_HYDROGEN                                                
%FORMAT(10I8)                                                                   

%FLAG EXCLUDED_ATOMS_LIST                                                       
%FORMAT(10I8)                                                                   
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%FLAG HBOND_ACOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBOND_BCOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBCUT                                                                     
%FORMAT(5E16.8)                                                                 

%FLAG AMBER_ATOM_TYPE                                                           
%FORMAT(20a4)                                                                   
HC  CT  HC  HC  C   O   
%FLAG TREE_CHAIN_CLASSIFICATION                                                 
%FORMAT(20a4)                                                                   
M   M   E   E   M   E   
%FLAG JOIN_ARRAY                                                                
%FORMAT(10I8)                                                                   
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%FLAG IROTAT                                                                    
%FORMAT(10I8)                                                                   
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%FLAG RADII                                                                     
%FORMAT(5E16.8)                                                                 
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%FLAG SCREEN                                                                    
%FORMAT(5E16.8)                                                                 
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