%VERSION  VERSION_STAMP = V0001.000  DATE = 03/27/08  09:01:14                  
%FLAG TITLE                                                                     
%FORMAT(20a4)                                                                   
*****                                                                           
%FLAG POINTERS                                                                  
%FORMAT(10I8)                                                                   
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       0
%FLAG ATOM_NAME                                                                 
%FORMAT(20a4)                                                                   
C1  C2  H1  H2  H3  H4  
%FLAG CHARGE                                                                    
%FORMAT(5E16.8)                                                                 
 -3.97246140E+00 -3.97246140E+00  1.98623070E+00  1.98623070E+00  1.98623070E+00
  1.98623070E+00
%FLAG MASS                                                                      
%FORMAT(5E16.8)                                                                 
  1.20100000E+01  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.00800000E+00
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%FLAG ATOM_TYPE_INDEX                                                           
%FORMAT(10I8)                                                                   
       1       1       2       2       2       2
%FLAG NUMBER_EXCLUDED_ATOMS                                                     
%FORMAT(10I8)                                                                   
       5       4       3       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)                                                                 
  5.89700000E+02  3.44300000E+02
%FLAG BOND_EQUIL_VALUE                                                          
%FORMAT(5E16.8)                                                                 
  1.32400000E+00  1.08700000E+00
%FLAG ANGLE_FORCE_CONSTANT                                                      
%FORMAT(5E16.8)                                                                 
  5.00000000E+01  3.80000000E+01
%FLAG ANGLE_EQUIL_VALUE                                                         
%FORMAT(5E16.8)                                                                 
  2.11080210E+00  2.05338075E+00
%FLAG DIHEDRAL_FORCE_CONSTANT                                                   
%FORMAT(5E16.8)                                                                 
  6.65000000E+00  1.10000000E+00
%FLAG DIHEDRAL_PERIODICITY                                                      
%FORMAT(5E16.8)                                                                 
  2.00000000E+00  2.00000000E+00
%FLAG DIHEDRAL_PHASE                                                            
%FORMAT(5E16.8)                                                                 
  3.14159400E+00  3.14159400E+00
%FLAG SOLTY                                                                     
%FORMAT(5E16.8)                                                                 
  0.00000000E+00  0.00000000E+00
%FLAG LENNARD_JONES_ACOEF                                                       
%FORMAT(5E16.8)                                                                 
  8.19971662E+05  7.62451550E+04  5.71629601E+03
%FLAG LENNARD_JONES_BCOEF                                                       
%FORMAT(5E16.8)                                                                 
  5.31102864E+02  1.04660679E+02  1.85196588E+01
%FLAG BONDS_INC_HYDROGEN                                                        
%FORMAT(10I8)                                                                   
       0       6       2       0       9       2       3      12       2       3
      15       2
%FLAG BONDS_WITHOUT_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
       0       3       1
%FLAG ANGLES_INC_HYDROGEN                                                       
%FORMAT(10I8)                                                                   
       0       3      12       1       0       3      15       1       3       0
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%FLAG ANGLES_WITHOUT_HYDROGEN                                                   
%FORMAT(10I8)                                                                   

%FLAG DIHEDRALS_INC_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
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%FLAG DIHEDRALS_WITHOUT_HYDROGEN                                                
%FORMAT(10I8)                                                                   

%FLAG EXCLUDED_ATOMS_LIST                                                       
%FORMAT(10I8)                                                                   
       2       3       4       5       6       3       4       5       6       4
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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)                                                                   
c2  c2  ha  ha  ha  ha  
%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 RADII                                                                     
%FORMAT(5E16.8)                                                                 
  1.70000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.30000000E+00
  1.30000000E+00
%FLAG SCREEN                                                                    
%FORMAT(5E16.8)                                                                 
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