%VERSION  VERSION_STAMP = V0001.000  DATE = 10/20/05  10:41:09                  
%FLAG TITLE                                                                     
%FORMAT(20a4)                                                                   
MOL                                                                             
%FLAG POINTERS                                                                  
%FORMAT(10I8)                                                                   
       6       4       3       2       6       1       3       0       0       0
      16       1       2       1       0       3       3       1       4       0
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       0
%FLAG ATOM_NAME                                                                 
%FORMAT(20a4)                                                                   
C1  H1  H2  H3  C2  N1  
%FLAG CHARGE                                                                    
%FORMAT(5E16.8)                                                                 
 -6.88802940E+00  2.73334500E+00  2.73334500E+00  2.73334500E+00  2.73334500E+00
  2.73334500E+00
%FLAG MASS                                                                      
%FORMAT(5E16.8)                                                                 
  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.20100000E+01
  1.40100000E+01
%FLAG ATOM_TYPE_INDEX                                                           
%FORMAT(10I8)                                                                   
       1       2       2       2       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)                                                                 
  3.41900000E+02  3.68300000E+02  1.00650000E+03
%FLAG BOND_EQUIL_VALUE                                                          
%FORMAT(5E16.8)                                                                 
  1.08900000E+00  1.47000000E+00  1.14000000E+00
%FLAG ANGLE_FORCE_CONSTANT                                                      
%FORMAT(5E16.8)                                                                 
  0.00000000E+00  3.50000000E+01  4.80000000E+01
%FLAG ANGLE_EQUIL_VALUE                                                         
%FORMAT(5E16.8)                                                                 
  0.00000000E+00  1.91113635E+00  1.90974009E+00
%FLAG DIHEDRAL_FORCE_CONSTANT                                                   
%FORMAT(5E16.8)                                                                 
  0.00000000E+00
%FLAG DIHEDRAL_PERIODICITY                                                      
%FORMAT(5E16.8)                                                                 
  2.00000000E+00
%FLAG DIHEDRAL_PHASE                                                            
%FORMAT(5E16.8)                                                                 
  3.14159400E+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  9.71708117E+04  7.51607703E+03  9.24822270E+05  8.61541883E+04
  8.19971662E+05  9.95480466E+05  8.96776989E+04  8.82619071E+05  9.44293233E+05
%FLAG LENNARD_JONES_BCOEF                                                       
%FORMAT(5E16.8)                                                                 
  6.75612247E+02  1.26919150E+02  2.17257828E+01  5.99015525E+02  1.12529845E+02
  5.31102864E+02  7.36907417E+02  1.36131731E+02  6.53361429E+02  8.01323529E+02
%FLAG BONDS_INC_HYDROGEN                                                        
%FORMAT(10I8)                                                                   
       0       3       1       0       6       1       0       9       1
%FLAG BONDS_WITHOUT_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
       0      12       2      12      15       3
%FLAG ANGLES_INC_HYDROGEN                                                       
%FORMAT(10I8)                                                                   
       3       0       6       2       3       0       9       2       3       0
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%FLAG ANGLES_WITHOUT_HYDROGEN                                                   
%FORMAT(10I8)                                                                   
       0      12      15       1
%FLAG DIHEDRALS_INC_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
       3       0      12      15       1       6       0      12      15       1
       9       0      12      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  hc  hc  hc  c1  n1  
%FLAG TREE_CHAIN_CLASSIFICATION                                                 
%FORMAT(20a4)                                                                   
M   E   E   E   M   M   
%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  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.70000000E+00
  1.55000000E+00
%FLAG SCREEN                                                                    
%FORMAT(5E16.8)                                                                 
  7.20000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
  7.90000000E-01