%VERSION  VERSION_STAMP = V0001.000  DATE = 03/27/08  09:00:55                  
%FLAG TITLE                                                                     
%FORMAT(20a4)                                                                   
*****                                                                           
%FLAG POINTERS                                                                  
%FORMAT(10I8)                                                                   
       9       3       6       2      12       1       6       0       0       0
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       0
%FLAG ATOM_NAME                                                                 
%FORMAT(20a4)                                                                   
C1  C2  S1  H1  H2  H3  H4  H5  H6  
%FLAG CHARGE                                                                    
%FORMAT(5E16.8)                                                                 
 -7.61692140E-01 -7.61692140E-01 -5.14051083E+00  1.11156030E+00  1.11156030E+00
  1.11156030E+00  1.11156030E+00  1.11156030E+00  1.11156030E+00
%FLAG MASS                                                                      
%FORMAT(5E16.8)                                                                 
  1.20100000E+01  1.20100000E+01  3.20600000E+01  1.00800000E+00  1.00800000E+00
  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.00800000E+00
%FLAG ATOM_TYPE_INDEX                                                           
%FORMAT(10I8)                                                                   
       1       1       2       3       3       3       3       3       3
%FLAG NUMBER_EXCLUDED_ATOMS                                                     
%FORMAT(10I8)                                                                   
       8       7       6       2       1       1       2       1       1
%FLAG NONBONDED_PARM_INDEX                                                      
%FORMAT(10I8)                                                                   
       1       2       4       2       3       5       4       5       6
%FLAG RESIDUE_LABEL                                                             
%FORMAT(20a4)                                                                   
TMP 
%FLAG RESIDUE_POINTER                                                           
%FORMAT(10I8)                                                                   
       1
%FLAG BOND_FORCE_CONSTANT                                                       
%FORMAT(5E16.8)                                                                 
  2.25800000E+02  3.35900000E+02
%FLAG BOND_EQUIL_VALUE                                                          
%FORMAT(5E16.8)                                                                 
  1.82100000E+00  1.09300000E+00
%FLAG ANGLE_FORCE_CONSTANT                                                      
%FORMAT(5E16.8)                                                                 
  6.06000000E+01  4.24000000E+01  3.92000000E+01
%FLAG ANGLE_EQUIL_VALUE                                                         
%FORMAT(5E16.8)                                                                 
  1.74393374E+00  1.90834382E+00  1.91200902E+00
%FLAG DIHEDRAL_FORCE_CONSTANT                                                   
%FORMAT(5E16.8)                                                                 
  3.33333333E-01
%FLAG DIHEDRAL_PERIODICITY                                                      
%FORMAT(5E16.8)                                                                 
  3.00000000E+00
%FLAG DIHEDRAL_PHASE                                                            
%FORMAT(5E16.8)                                                                 
  0.00000000E+00
%FLAG SOLTY                                                                     
%FORMAT(5E16.8)                                                                 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
%FLAG LENNARD_JONES_ACOEF                                                       
%FORMAT(5E16.8)                                                                 
  1.04308023E+06  2.09861767E+06  4.19430400E+06  6.78771368E+04  1.42791446E+05
  3.25969625E+03
%FLAG LENNARD_JONES_BCOEF                                                       
%FORMAT(5E16.8)                                                                 
  6.75612247E+02  1.17824605E+03  2.04800000E+03  1.06076943E+02  1.89165096E+02
  1.43076527E+01
%FLAG BONDS_INC_HYDROGEN                                                        
%FORMAT(10I8)                                                                   
       0       9       2       0      12       2       0      15       2       3
      18       2       3      21       2       3      24       2
%FLAG BONDS_WITHOUT_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
       0       6       1       3       6       1
%FLAG ANGLES_INC_HYDROGEN                                                       
%FORMAT(10I8)                                                                   
       6       0       9       2       6       0      12       2       6       0
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       6       3      24       2       9       0      12       3       9       0
      15       3      12       0      15       3      18       3      21       3
      18       3      24       3      21       3      24       3
%FLAG ANGLES_WITHOUT_HYDROGEN                                                   
%FORMAT(10I8)                                                                   
       0       6       3       1
%FLAG DIHEDRALS_INC_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
       0       6       3      18       1       0       6       3      21       1
       0       6       3      24       1       9       0       6       3       1
      12       0       6       3       1      15       0       6       3       1
%FLAG DIHEDRALS_WITHOUT_HYDROGEN                                                
%FORMAT(10I8)                                                                   

%FLAG EXCLUDED_ATOMS_LIST                                                       
%FORMAT(10I8)                                                                   
       2       3       4       5       6       7       8       9       3       4
       5       6       7       8       9       4       5       6       7       8
       9       5       6       6       0       8       9       9       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  c3  ss  h1  h1  h1  h1  h1  h1  
%FLAG TREE_CHAIN_CLASSIFICATION                                                 
%FORMAT(20a4)                                                                   
BLA BLA BLA BLA BLA BLA BLA BLA BLA 
%FLAG JOIN_ARRAY                                                                
%FORMAT(10I8)                                                                   
       0       0       0       0       0       0       0       0       0
%FLAG IROTAT                                                                    
%FORMAT(10I8)                                                                   
       0       0       0       0       0       0       0       0       0
%FLAG RADII                                                                     
%FORMAT(5E16.8)                                                                 
  1.70000000E+00  1.70000000E+00  1.80000000E+00  1.30000000E+00  1.30000000E+00
  1.30000000E+00  1.30000000E+00  1.30000000E+00  1.30000000E+00
%FLAG SCREEN                                                                    
%FORMAT(5E16.8)                                                                 
  7.20000000E-01  7.20000000E-01  9.60000000E-01  8.50000000E-01  8.50000000E-01
  8.50000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01