%VERSION  VERSION_STAMP = V0001.000  DATE = 03/31/05  15:25:15                  
%FLAG TITLE                                                                     
%FORMAT(20a4)                                                                   
                                                                                
%FLAG POINTERS                                                                  
%FORMAT(10I8)                                                                   
      36       9      15      22      29      31      43      46       0       0
     163       2      22      31      46      25      42      23      18       0
       0       0       0       0       0       0       0       0      18       0
       0
%FLAG ATOM_NAME                                                                 
%FORMAT(20a4)                                                                   
H2  C2  N1  C6  C5  C4  N9  C1' H33 H34 H35 C8  H8  N7  N6  H61 H62 N3  H73 C7  
H71 H72 C5  C4  O4  N3  H3  C6  H6  N1  C1' H33 H34 H35 C2  O2  
%FLAG CHARGE                                                                    
%FORMAT(5E16.8)                                                                 
  1.08969354E+00  1.04158667E+01 -1.38926815E+01  1.25679203E+01  1.32111675E+00
  6.92447400E+00 -4.88357640E-01  7.85381130E-01  3.77802946E-01  3.77802946E-01
  3.77802946E-01  2.92832361E+00  3.42032571E+00 -1.12522703E+01 -1.66242043E+01
  7.59323241E+00  7.59323241E+00 -1.35154799E+01  1.40311710E+00 -4.13463987E+00
  1.40311710E+00  1.40311710E+00  4.55557500E-02  9.46466262E+00 -1.01370655E+01
 -7.90847820E+00  6.23202660E+00 -4.02530607E+00  4.75055361E+00 -4.35512970E-01
  1.23911640E+00  3.57157080E-01  3.57157080E-01  3.57157080E-01  1.03447997E+01
 -1.07165346E+01
%FLAG MASS                                                                      
%FORMAT(5E16.8)                                                                 
  1.00800000E+00  1.20100000E+01  1.40100000E+01  1.20100000E+01  1.20100000E+01
  1.20100000E+01  1.40100000E+01  1.20100000E+01  1.00800000E+00  1.00800000E+00
  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.40100000E+01  1.40100000E+01
  1.00800000E+00  1.00800000E+00  1.40100000E+01  1.00800000E+00  1.20100000E+01
  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.20100000E+01  1.60000000E+01
  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.40100000E+01
  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.20100000E+01
  1.60000000E+01
%FLAG ATOM_TYPE_INDEX                                                           
%FORMAT(10I8)                                                                   
       1       2       3       2       2       2       3       4       5       5
       5       2       1       3       3       6       6       3       7       4
       7       7       2       2       8       3       6       2       9       3
       4       5       5       5       2       8
%FLAG NUMBER_EXCLUDED_ATOMS                                                     
%FORMAT(10I8)                                                                   
       5       7       8       9      10      10       8       7       3       2
       1       3       1       2       2       1       1       1       6       9
       4       3       9       8       4       6       3       8       3       6
       5       3       2       1       1       1
%FLAG NONBONDED_PARM_INDEX                                                      
%FORMAT(10I8)                                                                   
       1       2       4       7      11      16      22      29      37       2
       3       5       8      12      17      23      30      38       4       5
       6       9      13      18      24      31      39       7       8       9
      10      14      19      25      32      40      11      12      13      14
      15      20      26      33      41      16      17      18      19      20
      21      27      34      42      22      23      24      25      26      27
      28      35      43      29      30      31      32      33      34      35
      36      44      37      38      39      40      41      42      43      44
      45
%FLAG RESIDUE_LABEL                                                             
%FORMAT(20a4)                                                                   
DA  DT  
%FLAG RESIDUE_POINTER                                                           
%FORMAT(10I8)                                                                   
       1      19
%FLAG BOND_FORCE_CONSTANT                                                       
%FORMAT(5E16.8)                                                                 
  4.34000000E+02  3.67000000E+02  5.29000000E+02  3.50000000E+02  3.37000000E+02
  4.40000000E+02  4.36000000E+02  4.61000000E+02  5.20000000E+02  4.14000000E+02
  4.69000000E+02  4.81000000E+02  4.83000000E+02  5.02000000E+02  3.67000000E+02
  6.55000000E+02  4.24000000E+02  3.67000000E+02  4.48000000E+02  4.34000000E+02
  4.18000000E+02  4.10000000E+02  5.49000000E+02  3.50000000E+02  3.17000000E+02
%FLAG BOND_EQUIL_VALUE                                                          
%FORMAT(5E16.8)                                                                 
  1.01000000E+00  1.08000000E+00  1.30400000E+00  1.09000000E+00  1.47500000E+00
  1.37100000E+00  1.37400000E+00  1.35400000E+00  1.37000000E+00  1.39100000E+00
  1.40400000E+00  1.34000000E+00  1.33900000E+00  1.32400000E+00  1.08000000E+00
  1.22900000E+00  1.38300000E+00  1.08000000E+00  1.36500000E+00  1.01000000E+00
  1.38800000E+00  1.44400000E+00  1.35000000E+00  1.09000000E+00  1.51000000E+00
%FLAG ANGLE_FORCE_CONSTANT                                                      
%FORMAT(5E16.8)                                                                 
  3.50000000E+01  5.00000000E+01  3.30000000E+01  7.00000000E+01  7.00000000E+01
  5.00000000E+01  5.00000000E+01  7.00000000E+01  7.00000000E+01  7.00000000E+01
  7.00000000E+01  7.00000000E+01  7.00000000E+01  7.00000000E+01  7.00000000E+01
  6.30000000E+01  7.00000000E+01  5.00000000E+01  7.00000000E+01  7.00000000E+01
  7.00000000E+01  7.00000000E+01  7.00000000E+01  5.00000000E+01  7.00000000E+01
  8.00000000E+01  5.00000000E+01  7.00000000E+01  7.00000000E+01  5.00000000E+01
  7.00000000E+01  8.00000000E+01  6.30000000E+01  7.00000000E+01  8.00000000E+01
  7.00000000E+01  5.00000000E+01  7.00000000E+01  5.00000000E+01  3.70000000E+01
  7.00000000E+01  7.00000000E+01
%FLAG ANGLE_EQUIL_VALUE                                                         
%FORMAT(5E16.8)                                                                 
  2.09439600E+00  2.14762857E+00  1.91113635E+00  2.24798504E+00  2.20260646E+00
  1.91113635E+00  2.14762857E+00  1.98793087E+00  1.92684432E+00  2.19562514E+00
  1.83957782E+00  2.15548255E+00  1.85354046E+00  2.22878641E+00  1.81165254E+00
  2.04727209E+00  2.31081692E+00  2.09439600E+00  2.25322103E+00  2.04727209E+00
  2.08217869E+00  2.06996138E+00  1.93731630E+00  2.01498349E+00  2.05250808E+00
  2.11010397E+00  2.07868803E+00  2.11533996E+00  2.12232128E+00  2.03854544E+00
  2.01411082E+00  2.10486798E+00  2.10661331E+00  2.20609712E+00  2.18689849E+00
  1.99142153E+00  2.08916001E+00  2.11533996E+00  1.91113635E+00  1.91113635E+00
  2.08916001E+00  2.08916001E+00
%FLAG DIHEDRAL_FORCE_CONSTANT                                                   
%FORMAT(5E16.8)                                                                 
  3.50000000E+00  5.45000000E+00  1.65000000E+00  0.00000000E+00  1.70000000E+00
  2.55000000E+00  2.40000000E+00  1.00000000E+01  6.80000000E+00  4.80000000E+00
  4.15000000E+00  1.45000000E+00  1.85000000E+00  1.35000000E+00  2.17500000E+00
  3.00000000E-01  6.65000000E+00  0.00000000E+00  1.15000000E+00  3.80000000E-01
  1.00000000E+00  1.10000000E+00  1.05000000E+01
%FLAG DIHEDRAL_PERIODICITY                                                      
%FORMAT(5E16.8)                                                                 
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  3.00000000E+00  2.00000000E+00  3.00000000E+00  1.00000000E+00  3.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00
%FLAG DIHEDRAL_PHASE                                                            
%FORMAT(5E16.8)                                                                 
  3.14159400E+00  3.14159400E+00  3.14159400E+00  0.00000000E+00  3.14159400E+00
  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00
  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00
  0.00000000E+00  3.14159400E+00  0.00000000E+00  0.00000000E+00  3.14159400E+00
  3.14159400E+00  3.14159400E+00  3.14159400E+00
%FLAG SOLTY                                                                     
%FORMAT(5E16.8)                                                                 
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
%FLAG LENNARD_JONES_ACOEF                                                       
%FORMAT(5E16.8)                                                                 
  2.43828624E+03  5.30987710E+04  8.19971662E+05  5.46147253E+04  8.82619071E+05
  9.44293233E+05  5.98885646E+04  9.24822270E+05  9.95480466E+05  1.04308023E+06
  2.82099197E+03  6.01816484E+04  6.20665997E+04  6.78771368E+04  3.25969625E+03
  4.90239937E+01  2.27577561E+03  2.12601181E+03  2.56678134E+03  5.94667300E+01
  1.39982777E-01  4.33325458E+03  8.61541883E+04  8.96776989E+04  9.71708117E+04
  4.98586848E+03  1.07193646E+02  7.51607703E+03  3.23283631E+04  5.74393458E+05
  6.06829342E+05  6.47841731E+05  3.69471530E+04  1.02595236E+03  5.44261042E+04
  3.79876399E+05  3.03448006E+03  6.37148278E+04  6.58473870E+04  7.18621074E+04
  3.50301067E+03  6.63368273E+01  5.34045360E+03  3.93690817E+04  3.76169105E+03
%FLAG LENNARD_JONES_BCOEF                                                       
%FORMAT(5E16.8)                                                                 
  1.20953369E+01  8.73413012E+01  5.31102864E+02  1.05031585E+02  6.53361429E+02
  8.01323529E+02  9.85097219E+01  5.99015525E+02  7.36907417E+02  6.75612247E+02
  1.31591746E+01  9.40505980E+01  1.13252061E+02  1.06076943E+02  1.43076527E+01
  1.73473071E+00  1.82891803E+01  2.09604198E+01  2.06278363E+01  1.93248820E+00
  9.37598976E-02  1.63092814E+01  1.12529845E+02  1.36131731E+02  1.26919150E+02
  1.76949863E+01  2.59456373E+00  2.17257828E+01  8.51921330E+01  5.55666448E+02
  6.77220874E+02  6.26720080E+02  9.21192136E+01  1.53505284E+01  1.11805549E+02
  5.64885984E+02  1.34932874E+01  9.56748258E+01  1.15327881E+02  1.07908863E+02
  1.46638650E+01  2.01792524E+00  1.81057616E+01  9.40124296E+01  1.50233639E+01
%FLAG BONDS_INC_HYDROGEN                                                        
%FORMAT(10I8)                                                                   
      42      45       1      42      48       1      33      36       2      21
      24       4      21      27       4      21      30       4       0       3
      15      90      93       4      90      96       4      90      99       4
      81      84      18      75      78      20      57      60      24      57
      63      24      54      57      24
%FLAG BONDS_WITHOUT_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
      33      39       3      18      21       5      18      33       6      15
      18       7      15      51       8      12      15       9      12      39
      10       9      12      11       9      42      12       6       9      13
       3       6      14       3      51      14     102     105      16      87
      90       5      87     102      17      81      87      19      75     102
      21      69      72      16      69      75      21      66      69      22
      66      81      23      57      66      25
%FLAG ANGLES_INC_HYDROGEN                                                       
%FORMAT(10I8)                                                                   
      45      42      48       1      36      33      39       2      27      21
      30       3      24      21      27       3      24      21      30       3
      18      21      24       6      18      21      27       6      18      21
      30       6      18      33      36       7       9      42      45      18
       9      42      48      18       0       3       6      24       0       3
      51      24      96      90      99       3      93      90      96       3
      93      90      99       3      87      90      93       6      87      90
      96       6      87      90      99       6      84      81      87      27
      78      75     102      30      69      75      78      30      66      81
      84      37      63      57      66      39      60      57      63      40
      60      57      66      39      54      57      60      40      54      57
      63      40      54      57      66      39
%FLAG ANGLES_WITHOUT_HYDROGEN                                                   
%FORMAT(10I8)                                                                   
      21      18      33       4      18      15      51       5      18      33
      39       8      15      12      39       9      15      18      21      10
      15      18      33      11      12       9      42      12      12      15
      18      13      12      15      51      14      12      39      33      15
       9      12      15      16       9      12      39      17       6       3
      51      19       6       9      12      20       6       9      42      21
       3       6       9      22       3      51      15      23      90      87
     102      25      87     102     105      26      81      87      90      28
      81      87     102      29      75     102      87      31      75     102
     105      32      72      69      75      32      69      66      81      33
      69      75     102      34      66      69      72      35      66      69
      75      36      66      81      87      38      57      66      69      41
      57      66      81      42
%FLAG DIHEDRALS_INC_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
      30      21      18      33       4      27      21      18      33       4
      24      21      18      33       4      21      18      33      36       5
      15      18      21      24       4      15      18      21      27       4
      15      18      21      30       4      15      18      33      36       5
      12       9      42      45       7      12       9      42      48       7
      12      39      33      36       8       6       9      42      45       7
       6       9      42      48       7       0       3       6       9       9
       0       3      51      15       9      99      90      87     102       4
      96      90      87     102       4      93      90      87     102       4
      84      81      87      90      13      84      81      87     102      13
      81      87      90      93       4      81      87      90      96       4
      81      87      90      99       4      78      75     102      87      14
      78      75     102     105      14      72      69      75      78      14
      69      66      81      84      17      66      69      75      78      14
      63      57      66      69      18      63      57      66      81      19
      63      57     -66      81      20      60      57      66      69      18
      60      57      66      81      19      60      57     -66      81      20
      57      66      81      84      17      54      57      66      69      18
      54      57      66      81      19      54      57     -66      81      20
       9      45     -42     -48      21      18      39     -33     -36      22
       0       3     -51      -6      22      66      87     -81     -84      22
      69     102     -75     -78      21
%FLAG DIHEDRALS_WITHOUT_HYDROGEN                                                
%FORMAT(10I8)                                                                   
      39      12       9      42       1      39      12      15      51       2
      33      18      15      51       3      21      18      15      51       3
      21      18      33      39       5      18      15     -12      39       2
      15      12       9      42       1      15      12     -39      33       6
      15      18     -33      39       5      12      15      18      21       3
      12      15     -18      33       3      12      39     -33      18       8
       9       6       3      51       9       9      12      15      18       2
       9      12     -15      51       2       9      12      39      33       6
       6       3      51      15       9       6       9     -12      15       1
       6       9      12      39       1       3       6       9      12      10
       3       6       9      42      10       3      51     -15      12      11
       3      51      15      18      11      90      87     102     105      12
      81      87     102     105      12      75      69      66      81      15
      75     102     -87      81      12      75     102      87      90      12
      72      69      66      81      15      72      69     -66      81      16
      72      69      75     102      14      69      66      81      87      17
      69      75    -102      87      14      69      75     102     105      14
      66      69      75     102      14      66      81      87      90      13
      66      81     -87     102      13      57      66      69      72      15
      57      66      69      75      15      57      66      81      87      17
      33      15     -18     -21      21      12       6      -9     -42      22
      75      87    -102    -105      23      81     102     -87     -90      21
      66      75     -69     -72      23      81      69     -66     -57      22
%FLAG EXCLUDED_ATOMS_LIST                                                       
%FORMAT(10I8)                                                                   
       2       3       4       6      18       3       4       5       6       7
      15      18       4       5       6      14      15      16      17      18
       5       6       7      12      14      15      16      17      18       6
       7       8      12      13      14      15      16      17      18       7
       8       9      10      11      12      13      14      15      18       8
       9      10      11      12      13      14      18       9      10      11
      12      13      14      18      10      11      12      11      12      12
      13      14      18      14      15      18      16      17      17       0
       0      20      21      22      23      24      28      21      22      23
      24      25      26      28      29      30      22      23      24      28
      23      24      28      24      25      26      27      28      29      30
      31      35      25      26      27      28      29      30      35      36
      26      27      28      35      27      28      30      31      35      36
      30      35      36      29      30      31      32      33      34      35
      36      30      31      35      31      32      33      34      35      36
      32      33      34      35      36      33      34      35      34      35
      35      36       0
%FLAG HBOND_ACOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBOND_BCOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBCUT                                                                     
%FORMAT(5E16.8)                                                                 

%FLAG AMBER_ATOM_TYPE                                                           
%FORMAT(20a4)                                                                   
H5  CQ  NC  CA  CB  CB  N*  CT  H1  H1  H1  CK  H5  NB  N2  H   H   NC  HC  CT  
HC  HC  CM  C   O   NA  H   CM  H4  N*  CT  H1  H1  H1  C   O   
%FLAG TREE_CHAIN_CLASSIFICATION                                                 
%FORMAT(20a4)                                                                   
M   M   S   B   B   S   B   3   E   E   E   S   E   E   B   E   E   M   M   M   
E   E   M   B   E   S   E   M   E   M   3   E   E   E   M   E   
%FLAG JOIN_ARRAY                                                                
%FORMAT(10I8)                                                                   
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0
%FLAG IROTAT                                                                    
%FORMAT(10I8)                                                                   
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0
%FLAG RADII                                                                     
%FORMAT(5E16.8)                                                                 
  1.00000000E+00  1.70000000E+00  1.55000000E+00  1.70000000E+00  1.70000000E+00
  1.70000000E+00  1.55000000E+00  1.70000000E+00  1.00000000E+00  1.00000000E+00
  1.00000000E+00  1.70000000E+00  1.00000000E+00  1.55000000E+00  1.55000000E+00
  1.00000000E+00  1.00000000E+00  1.55000000E+00  1.00000000E+00  1.70000000E+00
  1.00000000E+00  1.00000000E+00  1.70000000E+00  1.70000000E+00  1.50000000E+00
  1.55000000E+00  1.00000000E+00  1.70000000E+00  1.00000000E+00  1.55000000E+00
  1.70000000E+00  1.00000000E+00  1.00000000E+00  1.00000000E+00  1.70000000E+00
  1.50000000E+00
%FLAG SCREEN                                                                    
%FORMAT(5E16.8)                                                                 
  8.50000000E-01  7.20000000E-01  7.90000000E-01  7.20000000E-01  7.20000000E-01
  7.20000000E-01  7.90000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.90000000E-01  7.90000000E-01
  8.50000000E-01  8.50000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01
  8.50000000E-01  8.50000000E-01  7.20000000E-01  7.20000000E-01  8.50000000E-01
  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.90000000E-01
  7.20000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
  8.50000000E-01
