%VERSION  VERSION_STAMP = V0001.000  DATE = 02/25/10  14:57:48                  
%FLAG TITLE                                                                     
%FORMAT(20a4)                                                                   
ACE                                                                             
%FLAG POINTERS                                                                  
%FORMAT(10I8)                                                                   
       2       2       0       1       0       0       0       0       0       0
       2       1       1       0       0       1       0       0       2       0
       0       0       0       0       0       0       0       0       2       0
       0
%FLAG ATOM_NAME                                                                 
%FORMAT(20a4)                                                                   
C   O   
%FLAG CHARGE                                                                    
%FORMAT(5E16.8)                                                                 
  0.00000000E+00  1.82223000E+01
%FLAG MASS                                                                      
%FORMAT(5E16.8)                                                                 
  1.20100000E+01  1.60000000E+01
%FLAG ATOM_TYPE_INDEX                                                           
%FORMAT(10I8)                                                                   
       1       2
%FLAG NUMBER_EXCLUDED_ATOMS                                                     
%FORMAT(10I8)                                                                   
       1       1
%FLAG NONBONDED_PARM_INDEX                                                      
%FORMAT(10I8)                                                                   
       1       2       2       3
%FLAG RESIDUE_LABEL                                                             
%FORMAT(20a4)                                                                   
ACE 
%FLAG RESIDUE_POINTER                                                           
%FORMAT(10I8)                                                                   
       1
%FLAG BOND_FORCE_CONSTANT                                                       
%FORMAT(5E16.8)                                                                 
  5.70000000E+02
%FLAG BOND_EQUIL_VALUE                                                          
%FORMAT(5E16.8)                                                                 
  1.22900000E+00
%FLAG ANGLE_FORCE_CONSTANT                                                      
%FORMAT(5E16.8)                                                                 

%FLAG ANGLE_EQUIL_VALUE                                                         
%FORMAT(5E16.8)                                                                 

%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)                                                                 
  8.19971662E+05  5.74393458E+05  3.79876399E+05
%FLAG LENNARD_JONES_BCOEF                                                       
%FORMAT(5E16.8)                                                                 
  5.31102864E+02  5.55666448E+02  5.64885984E+02
%FLAG BONDS_INC_HYDROGEN                                                        
%FORMAT(10I8)                                                                   

%FLAG BONDS_WITHOUT_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
       0       3       1
%FLAG ANGLES_INC_HYDROGEN                                                       
%FORMAT(10I8)                                                                   

%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       0
%FLAG HBOND_ACOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBOND_BCOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBCUT                                                                     
%FORMAT(5E16.8)                                                                 

%FLAG AMBER_ATOM_TYPE                                                           
%FORMAT(20a4)                                                                   
C   O   
%FLAG TREE_CHAIN_CLASSIFICATION                                                 
%FORMAT(20a4)                                                                   
BLA BLA 
%FLAG JOIN_ARRAY                                                                
%FORMAT(10I8)                                                                   
       0       0
%FLAG IROTAT                                                                    
%FORMAT(10I8)                                                                   
       0       0
%FLAG RADIUS_SET                                                                
%FORMAT(1a80)                                                                   
modified Bondi radii (mbondi)                                                   
%FLAG RADII                                                                     
%FORMAT(5E16.8)                                                                 
  2.00000000E+00  0.00000000E+00
%FLAG SCREEN                                                                    
%FORMAT(5E16.8)                                                                 
  7.20000000E-01  8.50000000E-01
