*HEADER    DNA                                     13-AUG-98   1BP8              
*TITLE     4:2:1 MITHRAMYCIN:MG2+:D(ACCCGGGT)2 COMPLEX                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA (5'-D(*AP*CP*CP*CP*GP*GP*GP*T)-3');                    
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: FOUR MOLECULES OF MITHRAMYCIN (PLICAMYCIN)            
*COMPND   6 (RESIDUES DDA-DDA-DXB-DDA-DDL-DDB, CHAINS C, D, E, F)                
*COMPND   7 BOUND IN THE MINOR GROOVE. OXYGENS OF THE MITHRAMYCIN                
*COMPND   8 CHROMOPHORE (RESIDUE DXB) ARE COMPLEXED WITH MG                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    MITHRAMYCIN, DNA, OLIGONUCLEOTIDE, NMR                                
*EXPDTA    NMR, 1 STRUCTURE, MINIMIZED AVERAGE STRUCTURE                         
*AUTHOR    M.A.KENIRY, E.A.OWEN, R.H.SHAFER                                      
*REVDAT   1   28-AUG-02 1BP8    0                                                

! CHARMm distance constraints for molecules :
! mra_acc2.pdb
!
NOE
RESET
!
ASSIGN SELE ATOM A       3 1H2*         END -
       SELE ATOM A       4 H5           END -
 KMIN    15.00 RMIN    3.00 KMAX    12.00 RMAX    3.70
ASSIGN SELE ATOM A       4 H3*          END -
       SELE ATOM A       4 H5           END -
 KMIN    15.00 RMIN    3.61 KMAX    12.00 RMAX    4.01
ASSIGN SELE ATOM A       7 H8          END -
       SELE ATOM A       7 2H2*           END -
 KMIN    15.00 RMIN    3.22 KMAX    12.00 RMAX    3.620
ASSIGN SELE ATOM A       6 H8         END -
       SELE ATOM A       5 1H2*           END -
 KMIN    15.00 RMIN    2.20 KMAX    15.00 RMAX    2.60
ASSIGN SELE ATOM B       6 H8         END -
       SELE ATOM B       5 1H2*           END -
 KMIN    15.00 RMIN    2.20 KMAX    15.00 RMAX    2.60
ASSIGN SELE ATOM A       3 2H2*         END -
       SELE ATOM A       4 H6           END -
 KMIN    15.00 RMIN    2.80 KMAX    15.00 RMAX   20.00
ASSIGN SELE ATOM B       4 H3*          END -
       SELE ATOM B       4 H4*          END -
 KMIN    15.00 RMIN    2.50 KMAX    15.00 RMAX   20.00
ASSIGN SELE ATOM B       4 H4*          END -
       SELE ATOM B       4 H6           END -
 KMIN    15.00 RMIN    3.00 KMAX    15.00 RMAX   20.00
ASSIGN SELE ATOM MIT1    1 H%M4           END -       
       SELE ATOM MIT1    1 H%M9          END -
 KMIN    12.00 RMIN    3.50 KMAX    12.00 RMAX    4.50
ASSIGN SELE ATOM MIT1    2 H%M4           END -      
       SELE ATOM MIT1    2 H%M9          END -
 KMIN    12.00 RMIN    3.50 KMAX    12.00 RMAX    4.50
ASSIGN SELE ATOM MIT2    9 H%M4           END -    
       SELE ATOM MIT2    9 H%M9          END -
 KMIN    12.00 RMIN    3.50 KMAX    12.00 RMAX    4.50
ASSIGN SELE ATOM MIT2   10 H%M4           END -      
       SELE ATOM MIT2   10 H%M9          END -
 KMIN    12.00 RMIN    3.50 KMAX    12.00 RMAX    4.50
ASSIGN SELE ATOM MIT1    1 H%M8           END -       
       SELE ATOM MIT1    1 H%M9          END -
 KMIN    12.00 RMIN    4.50 KMAX    12.00 RMAX    20.00
ASSIGN SELE ATOM MIT1    2 H%M8           END -      
       SELE ATOM MIT1    2 H%M9          END -
 KMIN    12.00 RMIN    4.50 KMAX    12.00 RMAX    20.00
ASSIGN SELE ATOM MIT2    9 H%M8           END -       
       SELE ATOM MIT2    9 H%M9          END -
 KMIN    12.00 RMIN    4.50 KMAX    12.00 RMAX    20.00
ASSIGN SELE ATOM MIT2   10 H%M8           END -        
       SELE ATOM MIT2   10 H%M9          END -
 KMIN    12.00 RMIN    4.50 KMAX    12.00 RMAX    20.00
ASSIGN SELE ATOM MIT1    1 H%M9           END -         
       SELE ATOM MIT1    1 H132          END -
 KMIN    15.00 RMIN    3.50 KMAX    12.00 RMAX    4.50
ASSIGN SELE ATOM MIT1    2 H%M9           END -       
       SELE ATOM MIT1    2 H132          END -
 KMIN    15.00 RMIN    3.50 KMAX    12.00 RMAX    4.50
ASSIGN SELE ATOM MIT2    9 H%M9           END -        
       SELE ATOM MIT2    9 H132          END -
 KMIN    15.00 RMIN    3.50 KMAX    12.00 RMAX    4.50
ASSIGN SELE ATOM MIT2   10 H%M9           END -         
       SELE ATOM MIT2   10 H132          END -
 KMIN    15.00 RMIN    3.50 KMAX    12.00 RMAX    4.50
ASSIGN SELE ATOM MIT1    1 H143           END -          
       SELE ATOM MIT1    1 H%M8         END -
 KMIN    12.00 RMIN    4.00 KMAX    12.00 RMAX    20.00
ASSIGN SELE ATOM MIT1    2 H143           END -           
       SELE ATOM MIT1    2 H%M8          END -
 KMIN    12.00 RMIN    4.00 KMAX    12.00 RMAX    20.00
ASSIGN SELE ATOM MIT2    9 H143           END -          
       SELE ATOM MIT2    9 H%M8         END -
 KMIN    12.00 RMIN    4.00 KMAX    12.00 RMAX    20.00
ASSIGN SELE ATOM MIT2   10 H143           END -           
       SELE ATOM MIT2   10 H%M8          END -
 KMIN    12.00 RMIN    4.00 KMAX    12.00 RMAX    20.00
ASSIGN SELE ATOM MIT2    9 H19           END -           
       SELE ATOM MIT2    9 H23          END -
 KMIN    15.00 RMIN    2.30 KMAX    15.00 RMAX    2.70
ASSIGN SELE ATOM MIT2   10 H19           END -          
       SELE ATOM MIT2   10 H23          END -
KMIN    15.00 RMIN    2.30 KMAX    15.00 RMAX    2.70
ASSIGN SELE ATOM MIT1    1 H19           END -         
       SELE ATOM MIT1    1 H23          END -
 KMIN    15.00 RMIN    2.30 KMAX    15.00 RMAX    2.70
ASSIGN SELE ATOM MIT1    2 H19           END -        
       SELE ATOM MIT1    2 H23          END -
 KMIN    15.00 RMIN    2.30 KMAX    15.00 RMAX    2.70
ASSIGN SELE ATOM A       3 H5           END -          
       SELE ATOM A       3 H3*          END -
 KMIN    15.00 RMIN    2.85 KMAX    15.00 RMAX    3.60
ASSIGN SELE ATOM B       2 H5           END -         
       SELE ATOM B       2 H3*          END -
 KMIN    15.00 RMIN    3.45 KMAX    12.00 RMAX    4.20
ASSIGN SELE ATOM B       2 H5           END -         
       SELE ATOM B       1 H3*          END -
 KMIN    15.00 RMIN    2.55 KMAX    12.00 RMAX    3.30
ASSIGN SELE ATOM MIT1    1 H61           END -        
       SELE ATOM MIT1    1 H58          END -
 KMIN    15.00 RMIN    3.00 KMAX    15.00 RMAX    3.70
ASSIGN SELE ATOM MIT1    2 H61           END -         
       SELE ATOM MIT1    2 H58          END -
 KMIN    15.00 RMIN    3.00 KMAX    15.00 RMAX    3.70
ASSIGN SELE ATOM MIT2    9 H61           END -           
       SELE ATOM MIT2    9 H58          END -
 KMIN    15.00 RMIN    3.00 KMAX    15.00 RMAX    3.70
ASSIGN SELE ATOM MIT2   10 H61           END -          
       SELE ATOM MIT2   10 H58          END -
 KMIN    15.00 RMIN    3.00 KMAX    15.00 RMAX    3.70
ASSIGN SELE ATOM MIT1    1 H61           END -         
       SELE ATOM MIT1    2 H75          END -
 KMIN    15.00 RMIN    2.92 KMAX    15.00 RMAX    3.37
ASSIGN SELE ATOM MIT2    9 H61           END -          
       SELE ATOM MIT2   10 H75          END -
 KMIN    15.00 RMIN    2.92 KMAX    15.00 RMAX    3.37
ASSIGN SELE ATOM MIT2   10 H61           END -          
       SELE ATOM MIT2    9 H75          END -
 KMIN    15.00 RMIN    2.92 KMAX    15.00 RMAX    3.37
ASSIGN SELE ATOM B       4 H5           END -          
       SELE ATOM B       3 H2*          END -
 KMIN    15.00 RMIN    3.00 KMAX    15.00 RMAX    3.70
ASSIGN SELE ATOM MIT1    1 7H11           END -         
       SELE ATOM MIT2    9 H25          END -
 KMIN    12.00 RMIN    4.00 KMAX    12.00 RMAX   20.00
ASSIGN SELE ATOM MIT2   10 7H11           END -         
       SELE ATOM MIT1    2 H25         END -
 KMIN    12.00 RMIN    4.00 KMAX    12.00 RMAX   20.00
ASSIGN SELE ATOM MIT2   10 0H11           END -          
       SELE ATOM MIT2    9 H25          END -
 KMIN    12.00 RMIN    4.00 KMAX    12.00 RMAX   20.00
ASSIGN SELE ATOM MIT1    1 0H11           END -          
       SELE ATOM MIT1    2 H25          END -
 KMIN    12.00 RMIN    4.00 KMAX    12.00 RMAX   20.00
ASSIGN SELE ATOM B       3 H5           END -           
       SELE ATOM B       2 H3*          END -
 KMIN    15.00 RMIN    2.90 KMAX    15.00 RMAX   3.70
ASSIGN SELE ATOM A       5 H8           END -          
       SELE ATOM A       5 H1*          END -           
 KMIN    15.00 RMIN    3.11 KMAX    15.00 RMAX   3.48   
ASSIGN SELE ATOM MIT1    1 H6            END -
       SELE ATOM MIT1    1 H4            END -
 KMIN    15.00 RMIN    2.51 KMAX    15.00 RMAX    2.96
ASSIGN SELE ATOM MIT1    1 H9            END -
       SELE ATOM MIT1    1 H4            END -
 KMIN    15.00 RMIN    2.92 KMAX    15.00 RMAX    3.37
ASSIGN SELE ATOM MIT1    1 H12           END -
       SELE ATOM MIT1    1 H6            END -
 KMIN    15.00 RMIN    2.74 KMAX    15.00 RMAX    3.19
ASSIGN SELE ATOM MIT1    1 H12           END -
       SELE ATOM MIT1    1 H7            END -
 KMIN    15.00 RMIN    2.56 KMAX    15.00 RMAX    3.02
ASSIGN SELE ATOM MIT1    1 H12           END -
       SELE ATOM MIT1    1 H9            END -
 KMIN    15.00 RMIN    2.13 KMAX    15.00 RMAX    2.58
ASSIGN SELE ATOM MIT1    1 H19           END -
       SELE ATOM MIT1    1 H6            END -
 KMIN    15.00 RMIN    2.23 KMAX    15.00 RMAX    2.68
ASSIGN SELE ATOM MIT1    1 H19           END -
       SELE ATOM MIT1    1 H7            END -
 KMIN    15.00 RMIN    2.53 KMAX    15.00 RMAX    2.98
ASSIGN SELE ATOM MIT1    1 H19           END -
       SELE ATOM MIT1    1 H9            END -
 KMIN    15.00 RMIN    2.90 KMAX    15.00 RMAX    3.35
ASSIGN SELE ATOM MIT1    1 H19           END -
       SELE ATOM MIT1    1 H%M1          END -
 KMIN    15.00 RMIN    3.06 KMAX    15.00 RMAX    3.51
ASSIGN SELE ATOM MIT1    1 H25           END -
       SELE ATOM MIT1    1 H19           END -
 KMIN    15.00 RMIN    2.40 KMAX    15.00 RMAX    2.85
ASSIGN SELE ATOM MIT1    1 H25           END -
       SELE ATOM MIT1    1 H23           END -
 KMIN    15.00 RMIN    2.03 KMAX    15.00 RMAX    2.48
ASSIGN SELE ATOM MIT1    1 H28           END -
       SELE ATOM MIT1    1 H19           END -
 KMIN    12.00 RMIN    3.78 KMAX    12.00 RMAX    4.23
ASSIGN SELE ATOM MIT1    1 H28           END -
       SELE ATOM MIT1    1 H23           END -
 KMIN    15.00 RMIN    2.43 KMAX    15.00 RMAX    2.88
ASSIGN SELE ATOM MIT1    1 H28           END -
       SELE ATOM MIT1    1 H25           END -
 KMIN    15.00 RMIN    2.29 KMAX    15.00 RMAX    2.74
ASSIGN SELE ATOM MIT1    1 H28           END -
       SELE ATOM MIT1    1 H26           END -
 KMIN    15.00 RMIN    2.31 KMAX    15.00 RMAX    2.76
ASSIGN SELE ATOM MIT1    1 H31           END -
       SELE ATOM MIT1    1 H28           END -
 KMIN    15.00 RMIN    2.25 KMAX    15.00 RMAX    2.70
ASSIGN SELE ATOM MIT1    1 H%M2          END -
       SELE ATOM MIT1    1 H28           END -
 KMIN    15.00 RMIN    2.00 KMAX    15.00 RMAX    2.45
ASSIGN SELE ATOM MIT1    1 H38           END -
       SELE ATOM MIT1    1 H23           END -
 KMIN    15.00 RMIN    2.16 KMAX    15.00 RMAX    2.61
ASSIGN SELE ATOM MIT1    1 H38           END -
       SELE ATOM MIT1    1 H25           END -
 KMIN    15.00 RMIN    2.32 KMAX    15.00 RMAX    2.77
ASSIGN SELE ATOM MIT1    1 H38           END -
       SELE ATOM MIT1    1 H26           END -
 KMIN    15.00 RMIN    2.48 KMAX    15.00 RMAX    2.93
ASSIGN SELE ATOM MIT1    1 H38           END -
       SELE ATOM MIT1    1 H28           END -
 KMIN    15.00 RMIN    2.42 KMAX    15.00 RMAX    2.87
ASSIGN SELE ATOM MIT1    1 H38           END -
       SELE ATOM MIT1    1 H31           END -
 KMIN    15.00 RMIN    1.70 KMAX    15.00 RMAX    2.15
ASSIGN SELE ATOM MIT1    1 H38           END -
       SELE ATOM MIT1    1 H%M2          END -
 KMIN    15.00 RMIN    3.26 KMAX    15.00 RMAX    3.71
ASSIGN SELE ATOM MIT1    1 H55           END -
       SELE ATOM MIT1    1 H23           END -
 KMIN    15.00 RMIN    3.18 KMAX    15.00 RMAX    3.63
ASSIGN SELE ATOM MIT1    1 H55           END -
       SELE ATOM MIT1    1 H26           END -
 KMIN    15.00 RMIN    3.05 KMAX    15.00 RMAX    3.50
ASSIGN SELE ATOM MIT1    1 H55           END -
       SELE ATOM MIT1    1 H%M2          END -
 KMIN    15.00 RMIN    2.79 KMAX    15.00 RMAX    3.24
ASSIGN SELE ATOM MIT1    1 H55           END -
       SELE ATOM MIT1    1 H38           END -
 KMIN    15.00 RMIN    1.73 KMAX    15.00 RMAX    2.18
ASSIGN SELE ATOM MIT1    1 H58           END -
       SELE ATOM MIT1    1 H31           END -
 KMIN    15.00 RMIN    2.81 KMAX    15.00 RMAX    3.26
ASSIGN SELE ATOM MIT1    1 H58           END -
       SELE ATOM MIT1    1 H%M2          END -
 KMIN    12.00 RMIN    3.92 KMAX    12.00 RMAX    4.37
ASSIGN SELE ATOM MIT1    1 H58           END -
       SELE ATOM MIT1    1 H38           END -
 KMIN    15.00 RMIN    3.04 KMAX    15.00 RMAX    3.50
ASSIGN SELE ATOM MIT1    1 H62           END -
       SELE ATOM MIT1    1 H58           END -
 KMIN    15.00 RMIN    1.88 KMAX    15.00 RMAX    2.33
ASSIGN SELE ATOM MIT1    1 H69           END -
       SELE ATOM MIT1    1 H66           END -
 KMIN    15.00 RMIN    2.32 KMAX    15.00 RMAX    2.77
ASSIGN SELE ATOM MIT1    1 H71           END -
       SELE ATOM MIT1    1 H66           END -
 KMIN    12.00 RMIN    3.59 KMAX    12.00 RMAX    4.04
ASSIGN SELE ATOM MIT1    1 H71           END -
       SELE ATOM MIT1    1 H69           END -
 KMIN    15.00 RMIN    2.57 KMAX    15.00 RMAX    3.02
ASSIGN SELE ATOM MIT1    1 H72           END -
       SELE ATOM MIT1    1 H69           END -
 KMIN    15.00 RMIN    3.05 KMAX    15.00 RMAX    3.50
ASSIGN SELE ATOM MIT1    1 H75           END -
       SELE ATOM MIT1    1 H69           END -
 KMIN    15.00 RMIN    2.90 KMAX    15.00 RMAX    3.35
ASSIGN SELE ATOM MIT1    1 H%M4          END -
       SELE ATOM MIT1    1 H66           END -
 KMIN    15.00 RMIN    2.97 KMAX    15.00 RMAX    3.42
ASSIGN SELE ATOM MIT1    1 H%M4          END -
       SELE ATOM MIT1    1 H69           END -
 KMIN    12.00 RMIN    3.81 KMAX    12.00 RMAX    4.26
ASSIGN SELE ATOM MIT1    1 H91           END -
       SELE ATOM MIT1    1 H88           END -
 KMIN    15.00 RMIN    3.04 KMAX    15.00 RMAX    3.49
ASSIGN SELE ATOM MIT1    1 0H10          END -
       SELE ATOM MIT1    1 H88           END -
 KMIN    12.00 RMIN    3.49 KMAX    12.00 RMAX    3.94
ASSIGN SELE ATOM MIT1    1 7H10          END -
       SELE ATOM MIT1    1 0H10          END -
 KMIN    15.00 RMIN    2.40 KMAX    15.00 RMAX    2.85
ASSIGN SELE ATOM MIT1    1 7H10          END -
       SELE ATOM MIT1    1 4H10          END -
 KMIN    15.00 RMIN    2.69 KMAX    15.00 RMAX    3.14
ASSIGN SELE ATOM MIT1    1 0H11          END -
       SELE ATOM MIT1    1 7H10          END -
 KMIN    15.00 RMIN    2.23 KMAX    15.00 RMAX    2.68
ASSIGN SELE ATOM MIT1    1 7H11          END -
       SELE ATOM MIT1    1 H83           END -
 KMIN    15.00 RMIN    2.23 KMAX    15.00 RMAX    2.68
ASSIGN SELE ATOM MIT1    1 7H11          END -
       SELE ATOM MIT1    1 7H10          END -
 KMIN    15.00 RMIN    3.01 KMAX    15.00 RMAX    3.46
ASSIGN SELE ATOM MIT1    1 7H117          END -
       SELE ATOM MIT1    1 0H11          END -
 KMIN    15.00 RMIN    2.36 KMAX    15.00 RMAX    2.81
ASSIGN SELE ATOM MIT1    1 H%M9          END -
       SELE ATOM MIT1    1 H64           END -
 KMIN    12.00 RMIN    4.05 KMAX    12.00 RMAX    4.50
ASSIGN SELE ATOM MIT1    1 H%M9          END -
       SELE ATOM MIT1    1 H66           END -
 KMIN    15.00 RMIN    2.73 KMAX    15.00 RMAX    3.18
ASSIGN SELE ATOM MIT1    1 H%M9          END -
       SELE ATOM MIT1    1 3H14          END -
 KMIN    15.00 RMIN    2.33 KMAX    15.00 RMAX    2.78
ASSIGN SELE ATOM MIT1    2 H6            END -
       SELE ATOM MIT1    2 H4            END -
 KMIN    15.00 RMIN    2.55 KMAX    15.00 RMAX    3.00
ASSIGN SELE ATOM MIT1    2 H9            END -
       SELE ATOM MIT1    2 H4            END -
 KMIN    15.00 RMIN    3.21 KMAX    15.00 RMAX    3.66
ASSIGN SELE ATOM MIT1    2 H12           END -
       SELE ATOM MIT1    2 H6            END -
 KMIN    15.00 RMIN    3.00 KMAX    15.00 RMAX    3.45
ASSIGN SELE ATOM MIT1    2 H12           END -
       SELE ATOM MIT1    2 H7            END -
 KMIN    15.00 RMIN    2.69 KMAX    15.00 RMAX    3.14
ASSIGN SELE ATOM MIT1    2 H12           END -
       SELE ATOM MIT1    2 H9            END -
 KMIN    15.00 RMIN    2.08 KMAX    15.00 RMAX    2.53
ASSIGN SELE ATOM MIT1    2 H19           END -
       SELE ATOM MIT1    2 H4            END -
 KMIN    15.00 RMIN    2.01 KMAX    15.00 RMAX    2.46
ASSIGN SELE ATOM MIT1    2 H19           END -
       SELE ATOM MIT1    2 H6            END -
 KMIN    15.00 RMIN    2.24 KMAX    15.00 RMAX    2.69
ASSIGN SELE ATOM MIT1    2 H19           END -
       SELE ATOM MIT1    2 H7            END -
 KMIN    15.00 RMIN    2.64 KMAX    15.00 RMAX    3.09
ASSIGN SELE ATOM MIT1    2 H19           END -
       SELE ATOM MIT1    2 H9            END -
 KMIN    12.00 RMIN    3.47 KMAX    12.00 RMAX    3.92
ASSIGN SELE ATOM MIT1    2 H19           END -
       SELE ATOM MIT1    2 H%M1          END -
 KMIN    15.00 RMIN    3.05 KMAX    15.00 RMAX    3.50
ASSIGN SELE ATOM MIT1    2 H25           END -
       SELE ATOM MIT1    2 H19           END -
 KMIN    15.00 RMIN    2.42 KMAX    15.00 RMAX    2.87
ASSIGN SELE ATOM MIT1    2 H25           END -
       SELE ATOM MIT1    2 H23           END -
 KMIN    15.00 RMIN    2.23 KMAX    15.00 RMAX    2.68
ASSIGN SELE ATOM MIT1    2 H28           END -
       SELE ATOM MIT1    1 7H10          END -
 KMIN    12.00 RMIN    4.04 KMAX    12.00 RMAX    4.49
ASSIGN SELE ATOM MIT1    2 H28           END -
       SELE ATOM MIT1    1 0H11          END -
 KMIN    15.00 RMIN    2.61 KMAX    15.00 RMAX    3.06
ASSIGN SELE ATOM MIT1    2 H28           END -
       SELE ATOM MIT1    2 H19           END -
 KMIN    12.00 RMIN    3.44 KMAX    12.00 RMAX    3.89
ASSIGN SELE ATOM MIT1    2 H28           END -
       SELE ATOM MIT1    2 H23           END -
 KMIN    15.00 RMIN    2.80 KMAX    15.00 RMAX    3.25
ASSIGN SELE ATOM MIT1    2 H28           END -
       SELE ATOM MIT1    2 H25           END -
 KMIN    15.00 RMIN    2.47 KMAX    15.00 RMAX    2.92
ASSIGN SELE ATOM MIT1    2 H28           END -
       SELE ATOM MIT1    2 H26           END -
 KMIN    15.00 RMIN    2.38 KMAX    15.00 RMAX    2.83
ASSIGN SELE ATOM MIT1    2 H31           END -
       SELE ATOM MIT1    2 H28           END -
 KMIN    15.00 RMIN    2.29 KMAX    15.00 RMAX    2.74
ASSIGN SELE ATOM MIT1    2 H%M2          END -
       SELE ATOM MIT1    2 H28           END -
 KMIN    15.00 RMIN    2.06 KMAX    15.00 RMAX    2.51
ASSIGN SELE ATOM MIT1    2 H38           END -
       SELE ATOM MIT1    2 H23           END -
 KMIN    15.00 RMIN    2.20 KMAX    15.00 RMAX    2.65
ASSIGN SELE ATOM MIT1    2 H38           END -
       SELE ATOM MIT1    2 H25           END -
 KMIN    15.00 RMIN    2.53 KMAX    15.00 RMAX    2.98
ASSIGN SELE ATOM MIT1    2 H38           END -
       SELE ATOM MIT1    2 H26           END -
 KMIN    15.00 RMIN    2.65 KMAX    15.00 RMAX    3.10
ASSIGN SELE ATOM MIT1    2 H38           END -
       SELE ATOM MIT1    2 H28           END -
 KMIN    15.00 RMIN    2.46 KMAX    15.00 RMAX    2.91
ASSIGN SELE ATOM MIT1    2 H38           END -
       SELE ATOM MIT1    2 H31           END -
 KMIN    15.00 RMIN    1.80 KMAX    15.00 RMAX    2.25
ASSIGN SELE ATOM MIT1    2 H38           END -
       SELE ATOM MIT1    2 H%M2          END -
 KMIN    15.00 RMIN    3.14 KMAX    15.00 RMAX    3.59
ASSIGN SELE ATOM MIT1    2 H%M3          END -
       SELE ATOM MIT1    1 4H10          END -
 KMIN    15.00 RMIN    2.85 KMAX    15.00 RMAX    3.31
ASSIGN SELE ATOM MIT1    2 H%M3          END -
       SELE ATOM MIT1    1 7H10          END -
 KMIN    15.00 RMIN    2.77 KMAX    15.00 RMAX    3.22
ASSIGN SELE ATOM MIT1    2 H%M3          END -
       SELE ATOM MIT1    1 0H11          END -
 KMIN    15.00 RMIN    2.84 KMAX    15.00 RMAX    3.24 
ASSIGN SELE ATOM MIT1    2 H%M3          END -
       SELE ATOM MIT1    1 6H12          END -
 KMIN    15.00 RMIN    3.03 KMAX    15.00 RMAX    3.48
ASSIGN SELE ATOM MIT1    2 H55           END -
       SELE ATOM MIT1    1 H%M5          END -
 KMIN    12.00 RMIN    3.39 KMAX    12.00 RMAX    3.84
ASSIGN SELE ATOM MIT1    2 H55           END -
       SELE ATOM MIT1    1 0H10          END -
 KMIN    15.00 RMIN    2.86 KMAX    15.00 RMAX    3.31
ASSIGN SELE ATOM MIT1    2 H55           END -
       SELE ATOM MIT1    1 7H10          END -
 KMIN    15.00 RMIN    3.29 KMAX    15.00 RMAX    3.69 
ASSIGN SELE ATOM MIT1    2 H55           END -
       SELE ATOM MIT1    2 H26           END -
 KMIN    15.00 RMIN    3.09 KMAX    15.00 RMAX    3.54
ASSIGN SELE ATOM MIT1    2 H55           END -
       SELE ATOM MIT1    2 H%M2          END -
 KMIN    15.00 RMIN    2.83 KMAX    15.00 RMAX    3.28
ASSIGN SELE ATOM MIT1    2 H55           END -
       SELE ATOM MIT1    2 H38           END -
 KMIN    15.00 RMIN    1.83 KMAX    15.00 RMAX    2.28
ASSIGN SELE ATOM MIT1    2 H58           END -
       SELE ATOM MIT1    1 H94           END -
 KMIN    15.00 RMIN    3.02 KMAX    15.00 RMAX    3.47
ASSIGN SELE ATOM MIT1    2 H58           END -
       SELE ATOM MIT1    1 H%M5          END -
 KMIN    12.00 RMIN    3.38 KMAX    12.00 RMAX    3.83
ASSIGN SELE ATOM MIT1    2 H58           END -
       SELE ATOM MIT1    2 H31           END -
 KMIN    15.00 RMIN    2.83 KMAX    15.00 RMAX    3.28
ASSIGN SELE ATOM MIT1    2 H58           END -
       SELE ATOM MIT1    2 H%M2          END -
 KMIN    12.00 RMIN    3.85 KMAX    12.00 RMAX    4.30
ASSIGN SELE ATOM MIT1    2 H58           END -
       SELE ATOM MIT1    2 H38           END -
 KMIN    15.00 RMIN    2.81 KMAX    15.00 RMAX    3.26
ASSIGN SELE ATOM MIT1    2 H61           END -
       SELE ATOM MIT1    1 H75           END -
 KMIN    15.00 RMIN    2.90 KMAX    15.00 RMAX    3.35
ASSIGN SELE ATOM MIT1    2 H62           END -
       SELE ATOM MIT1    2 H58           END -
 KMIN    15.00 RMIN    1.85 KMAX    15.00 RMAX    2.30
ASSIGN SELE ATOM MIT1    2 H69           END -
       SELE ATOM MIT1    2 H66           END -
 KMIN    15.00 RMIN    2.34 KMAX    15.00 RMAX    2.79
ASSIGN SELE ATOM MIT1    2 H71           END -
       SELE ATOM MIT1    2 H66           END -
 KMIN    12.00 RMIN    3.64 KMAX    12.00 RMAX    4.09
ASSIGN SELE ATOM MIT1    2 H71           END -
       SELE ATOM MIT1    2 H69           END -
 KMIN    15.00 RMIN    2.58 KMAX    15.00 RMAX    3.03
ASSIGN SELE ATOM MIT1    2 H72           END -
       SELE ATOM MIT1    2 H69           END -
 KMIN    15.00 RMIN    3.00 KMAX    15.00 RMAX    3.45
ASSIGN SELE ATOM MIT1    2 H75           END -
       SELE ATOM MIT1    2 H69           END -
 KMIN    15.00 RMIN    2.87 KMAX    15.00 RMAX    3.32
ASSIGN SELE ATOM MIT1    2 H%M4          END -
       SELE ATOM MIT1    2 H66           END -
 KMIN    15.00 RMIN    2.90 KMAX    15.00 RMAX    3.35
ASSIGN SELE ATOM MIT1    2 H%M4          END -
       SELE ATOM MIT1    2 H69           END -
 KMIN    12.00 RMIN    4.20 KMAX    12.00 RMAX    4.65
ASSIGN SELE ATOM MIT1    2 H94           END -
       SELE ATOM MIT1    1 H58           END -
 KMIN    12.00 RMIN    3.40 KMAX    12.00 RMAX    3.85
ASSIGN SELE ATOM MIT1    2 H%M5          END -
       SELE ATOM MIT1    1 H38           END -
 KMIN    12.00 RMIN    4.19 KMAX    12.00 RMAX    4.64
ASSIGN SELE ATOM MIT1    2 H%M5          END -
       SELE ATOM MIT1    1 H55           END -
 KMIN    12.00 RMIN    3.44 KMAX    12.00 RMAX    3.89
ASSIGN SELE ATOM MIT1    2 H%M5          END -
       SELE ATOM MIT1    1 H58           END -
 KMIN    12.00 RMIN    3.36 KMAX    12.00 RMAX    3.81
ASSIGN SELE ATOM MIT1    2 0H10          END -
       SELE ATOM MIT1    2 H88           END -
 KMIN    15.00 RMIN    3.22 KMAX    15.00 RMAX    3.67
ASSIGN SELE ATOM MIT1    2 4H10          END -
       SELE ATOM MIT1    1 H%M3          END -
 KMIN    15.00 RMIN    2.98 KMAX    15.00 RMAX    3.43
ASSIGN SELE ATOM MIT1    2 7H10          END -
       SELE ATOM MIT1    1 H28           END -
 KMIN    12.00 RMIN    4.21 KMAX    12.00 RMAX    4.66
ASSIGN SELE ATOM MIT1    2 7H10          END -
       SELE ATOM MIT1    1 H%M3          END -
 KMIN    15.00 RMIN    3.11 KMAX    15.00 RMAX    3.56
ASSIGN SELE ATOM MIT1    2 7H10          END -
       SELE ATOM MIT1    1 H55           END -
 KMIN    15.00 RMIN    3.29 KMAX    15.00 RMAX    3.69 
ASSIGN SELE ATOM MIT1    2 7H10          END -
       SELE ATOM MIT1    2 H83           END -
 KMIN    15.00 RMIN    2.22 KMAX    15.00 RMAX    2.67
ASSIGN SELE ATOM MIT1    2 0H11          END -
       SELE ATOM MIT1    1 H28           END -
 KMIN    15.00 RMIN    2.57 KMAX    15.00 RMAX    3.02
ASSIGN SELE ATOM MIT1    2 0H11          END -
       SELE ATOM MIT1    1 H%M3          END -
 KMIN    15.00 RMIN    2.84 KMAX    15.00 RMAX    3.24 
ASSIGN SELE ATOM MIT1    2 0H11          END -
       SELE ATOM MIT1    2 7H10          END -
 KMIN    15.00 RMIN    2.05 KMAX    15.00 RMAX    2.50
ASSIGN SELE ATOM MIT1    2 7H11          END -
       SELE ATOM MIT1    2 H83           END -
 KMIN    15.00 RMIN    2.40 KMAX    15.00 RMAX    2.85
ASSIGN SELE ATOM MIT1    2 7H11          END -
       SELE ATOM MIT1    2 7H10          END -
 KMIN    15.00 RMIN    2.98 KMAX    15.00 RMAX    3.43
ASSIGN SELE ATOM MIT1    2 7H11          END -
       SELE ATOM MIT1    2 0H11          END -
 KMIN    15.00 RMIN    2.29 KMAX    15.00 RMAX    2.74
ASSIGN SELE ATOM MIT1    2 6H12          END -
       SELE ATOM MIT1    2 7H10          END -
 KMIN    15.00 RMIN    2.35 KMAX    15.00 RMAX    2.80
ASSIGN SELE ATOM MIT1    2 H%M9          END -
       SELE ATOM MIT1    2 H64           END -
 KMIN    12.00 RMIN    4.00 KMAX    12.00 RMAX    4.50
ASSIGN SELE ATOM MIT1    2 H%M9          END -
       SELE ATOM MIT1    2 H66           END -
 KMIN    15.00 RMIN    2.73 KMAX    15.00 RMAX    3.18
ASSIGN SELE ATOM MIT1    2 H%M9          END -
       SELE ATOM MIT1    2 3H14          END -
 KMIN    15.00 RMIN    2.29 KMAX    15.00 RMAX    2.74
ASSIGN SELE ATOM A       1 H4*           END -
       SELE ATOM A       1 2H5*          END -
 KMIN    15.00 RMIN    2.71 KMAX    15.00 RMAX    3.16
ASSIGN SELE ATOM A       1 H1*           END -
       SELE ATOM MIT1    2 H%M6          END -
 KMIN    12.00 RMIN    4.38 KMAX    12.00 RMAX    4.83
ASSIGN SELE ATOM A       1 H1*           END -
       SELE ATOM MIT1    2 H%M7          END -
 KMIN    12.00 RMIN    4.84 KMAX    12.00 RMAX    5.29
ASSIGN SELE ATOM A       1 H2            END -
       SELE ATOM MIT1    1 H%M3          END -
 KMIN    15.00 RMIN    2.57 KMAX    15.00 RMAX    3.02
ASSIGN SELE ATOM A       1 H2            END -
       SELE ATOM MIT1    2 7H10          END -
 KMIN    15.00 RMIN    2.90 KMAX    15.00 RMAX    3.35
ASSIGN SELE ATOM A       1 H2            END -
       SELE ATOM MIT1    2 0H11          END -
 KMIN    15.00 RMIN    2.19 KMAX    15.00 RMAX    2.64
ASSIGN SELE ATOM A       1 H2            END -
       SELE ATOM MIT1    2 H%M6          END -
 KMIN    12.00 RMIN    4.12 KMAX    12.00 RMAX    4.57
ASSIGN SELE ATOM A       1 H2            END -
       SELE ATOM MIT1    2 H%M7          END -
 KMIN    12.00 RMIN    3.91 KMAX    12.00 RMAX    4.36
ASSIGN SELE ATOM A       1 H2            END -
       SELE ATOM A       1 H1*           END -
 KMIN    12.00 RMIN    4.50 KMAX    12.00 RMAX    4.95
ASSIGN SELE ATOM A       1 H8            END -
       SELE ATOM A       1 H1*           END -
 KMIN    12.00 RMIN    4.01 KMAX    12.00 RMAX    4.46
ASSIGN SELE ATOM A       1 2H2*          END -
       SELE ATOM A       1 H8            END -
 KMIN    12.00 RMIN    4.73 KMAX    12.00 RMAX    5.18
ASSIGN SELE ATOM A       1 1H2*           END -
       SELE ATOM A       1 H8            END -
 KMIN    15.00 RMIN    2.61 KMAX    15.00 RMAX    3.06
ASSIGN SELE ATOM A       1 H3*           END -
       SELE ATOM A       1 H1*           END -
 KMIN    12.00 RMIN    3.36 KMAX    12.00 RMAX    3.81
ASSIGN SELE ATOM A       1 H3*           END -
       SELE ATOM A       1 H8            END -
 KMIN    15.00 RMIN    2.89 KMAX    15.00 RMAX    3.34
ASSIGN SELE ATOM A       2 H1*           END -
       SELE ATOM MIT1    2 0H11          END -
 KMIN    12.00 RMIN    3.40 KMAX    12.00 RMAX    3.85
ASSIGN SELE ATOM A       2 H1*           END -
       SELE ATOM A       1 H2            END -
 KMIN    15.00 RMIN    2.70 KMAX    15.00 RMAX    3.15
ASSIGN SELE ATOM A       2 H1*           END -
       SELE ATOM A       2 H4*           END -
 KMIN    15.00 RMIN    2.63 KMAX    15.00 RMAX    3.08
ASSIGN SELE ATOM A       2 H6            END -
       SELE ATOM A       1 H1*           END -
 KMIN    12.00 RMIN    3.95 KMAX    12.00 RMAX    4.40
ASSIGN SELE ATOM A       2 H6            END -
       SELE ATOM A       1 2H2*          END -
 KMIN    15.00 RMIN    3.06 KMAX    15.00 RMAX    3.51
ASSIGN SELE ATOM A       2 H6            END -
       SELE ATOM A       1 1H2*           END -
 KMIN    15.00 RMIN    2.59 KMAX    15.00 RMAX    3.04
ASSIGN SELE ATOM A       2 H6            END -
       SELE ATOM A       1 H3*           END -
 KMIN    15.00 RMIN    2.30 KMAX    15.00 RMAX    2.75
ASSIGN SELE ATOM A       2 H6            END -       
       SELE ATOM A       2 H1*           END -         
 KMIN    15.00 RMIN    3.19 KMAX    15.00 RMAX    3.64 
ASSIGN SELE ATOM A       2 H5            END -
       SELE ATOM A       1 H8            END -
 KMIN    15.00 RMIN    3.08 KMAX    15.00 RMAX    3.54
ASSIGN SELE ATOM A       2 H5            END -
       SELE ATOM A       1 H3*           END -
 KMIN    15.00 RMIN    2.60 KMAX    15.00 RMAX    3.05
ASSIGN SELE ATOM A       2 H3*           END -
       SELE ATOM A       2 H1*           END -
 KMIN    15.00 RMIN    2.75 KMAX    15.00 RMAX    3.20
ASSIGN SELE ATOM A       2 H3*           END -
       SELE ATOM A       2 H6            END -
 KMIN    15.00 RMIN    2.39 KMAX    15.00 RMAX    2.84
ASSIGN SELE ATOM A       2 H3*           END -
       SELE ATOM A       2 H5            END -
 KMIN    12.00 RMIN    3.34 KMAX    12.00 RMAX    3.79
ASSIGN SELE ATOM A       3 H4*           END -
       SELE ATOM MIT1    1 H38           END -
 KMIN    15.00 RMIN    2.80 KMAX    15.00 RMAX    3.20 
ASSIGN SELE ATOM A       3 H4*           END -
       SELE ATOM MIT1    1 H55           END -
 KMIN    12.00 RMIN    4.12 KMAX    12.00 RMAX    4.57
ASSIGN SELE ATOM A       3 H4*           END -
       SELE ATOM A       3 2H5*          END -
 KMIN    15.00 RMIN    2.36 KMAX    15.00 RMAX    2.76
ASSIGN SELE ATOM A       3 H6            END -
       SELE ATOM A       2 H1*           END -
 KMIN    15.00 RMIN    3.00 KMAX    15.00 RMAX    3.45
ASSIGN SELE ATOM A       3 H6            END -
       SELE ATOM A       2 H3*           END -
 KMIN    12.00 RMIN    3.81 KMAX    12.00 RMAX    4.26
ASSIGN SELE ATOM A       3 H5            END -
       SELE ATOM A       2 H6            END -
 KMIN    15.00 RMIN    3.00 KMAX    15.00 RMAX    3.40 
ASSIGN SELE ATOM A       3 H5            END -
       SELE ATOM A       2 1H2*           END -
 KMIN    15.00 RMIN    2.65 KMAX    15.00 RMAX    3.10
ASSIGN SELE ATOM A       3 H5            END -
       SELE ATOM A       2 H3*           END -
 KMIN    15.00 RMIN    3.06 KMAX    15.00 RMAX    3.51
ASSIGN SELE ATOM A       3 2H2*          END -
       SELE ATOM A       3 H1*           END -
 KMIN    15.00 RMIN    1.84 KMAX    15.00 RMAX    2.29
ASSIGN SELE ATOM A       3 2H2*          END -
       SELE ATOM A       3 H6            END -
 KMIN    15.00 RMIN    3.07 KMAX    15.00 RMAX    3.52
ASSIGN SELE ATOM A       3 1H2*           END -
       SELE ATOM A       3 H1*           END -
 KMIN    15.00 RMIN    2.30 KMAX    15.00 RMAX    2.75
ASSIGN SELE ATOM A       3 1H2*           END -
       SELE ATOM A       3 H6            END -
 KMIN    15.00 RMIN    2.64 KMAX    15.00 RMAX    3.09
ASSIGN SELE ATOM A       3 H3*           END -
       SELE ATOM A       3 H1*           END -
 KMIN    15.00 RMIN    2.60 KMAX    15.00 RMAX    3.05
ASSIGN SELE ATOM A       3 H3*           END -
       SELE ATOM A       3 H6            END -
 KMIN    15.00 RMIN    2.02 KMAX    15.00 RMAX    2.47
ASSIGN SELE ATOM A       3 H3*           END -
       SELE ATOM A       3 1H2*           END -
 KMIN    15.00 RMIN    2.53 KMAX    15.00 RMAX    2.98
ASSIGN SELE ATOM A       4 H1*           END -
       SELE ATOM MIT1    2 H%M3          END -
 KMIN    12.00 RMIN    5.00 KMAX    12.00 RMAX    5.45
ASSIGN SELE ATOM A       4 H6            END -
       SELE ATOM A       3 H1*           END -
 KMIN    15.00 RMIN    2.79 KMAX    15.00 RMAX    3.24
ASSIGN SELE ATOM A       4 H6            END -
       SELE ATOM A       3 H3*           END -
 KMIN    15.00 RMIN    2.27 KMAX    15.00 RMAX    2.72
ASSIGN SELE ATOM A       4 H6            END -       
       SELE ATOM A       4 H1*           END -       
 KMIN    15.00 RMIN    3.04 KMAX    15.00 RMAX    3.49
ASSIGN SELE ATOM A       4 H5            END -
       SELE ATOM A       3 H6            END -
 KMIN    15.00 RMIN    2.31 KMAX    15.00 RMAX    2.76
ASSIGN SELE ATOM A       4 H5            END -
       SELE ATOM A       3 2H2*          END -
 KMIN    15.00 RMIN    3.50 KMAX    15.00 RMAX    4.50
ASSIGN SELE ATOM A       4 H5            END -
       SELE ATOM A       3 H3*           END -
 KMIN    15.00 RMIN    2.77 KMAX    15.00 RMAX    3.22
ASSIGN SELE ATOM A       4 2H2*          END -
       SELE ATOM A       4 H1*           END -
 KMIN    15.00 RMIN    2.16 KMAX    15.00 RMAX    2.61
ASSIGN SELE ATOM A       4 2H2*          END -
       SELE ATOM A       4 H6            END -
 KMIN    15.00 RMIN    2.99 KMAX    15.00 RMAX    3.39 
ASSIGN SELE ATOM A       4 1H2*           END -
       SELE ATOM A       4 H1*           END -
 KMIN    15.00 RMIN    2.69 KMAX    15.00 RMAX    3.14
ASSIGN SELE ATOM A       4 H3*           END -
       SELE ATOM A       4 H1*           END -
 KMIN    15.00 RMIN    2.78 KMAX    15.00 RMAX    3.23
ASSIGN SELE ATOM A       4 H3*           END -
       SELE ATOM A       4 H6            END -
 KMIN    15.00 RMIN    2.36 KMAX    15.00 RMAX    2.81
ASSIGN SELE ATOM A       4 H3*           END -
       SELE ATOM A       4 2H2*          END -
 KMIN    15.00 RMIN    2.69 KMAX    15.00 RMAX    3.14
ASSIGN SELE ATOM A       4 H3*           END -
       SELE ATOM A       4 1H2*           END -
 KMIN    15.00 RMIN    2.36 KMAX    15.00 RMAX    2.81
ASSIGN SELE ATOM A       5 H4*           END -
       SELE ATOM MIT1    1 H%M7          END -
 KMIN    12.00 RMIN    4.40 KMAX    12.00 RMAX    4.85
ASSIGN SELE ATOM A       5 H4*           END -
       SELE ATOM A       5 2H5*          END -
 KMIN    15.00 RMIN    2.66 KMAX    15.00 RMAX    3.11
ASSIGN SELE ATOM A       5 H1*           END -
       SELE ATOM MIT1    1 H%M7          END -
 KMIN    12.00 RMIN    3.71 KMAX    12.00 RMAX    4.16
ASSIGN SELE ATOM A       5 H8            END -
       SELE ATOM A       4 H1*           END -
 KMIN    15.00 RMIN    2.75 KMAX    15.00 RMAX    3.20
ASSIGN SELE ATOM A       5 H8            END -
       SELE ATOM A       4 2H2*          END -
 KMIN    15.00 RMIN    3.04 KMAX    15.00 RMAX    3.49
ASSIGN SELE ATOM A       5 H8            END -
       SELE ATOM A       4 1H2*           END -
 KMIN    15.00 RMIN    2.53 KMAX    15.00 RMAX    2.98
ASSIGN SELE ATOM A       5 H8            END -
       SELE ATOM A       4 H3*           END -
 KMIN    15.00 RMIN    3.02 KMAX    15.00 RMAX    3.47
ASSIGN SELE ATOM A       5 H8            END -
       SELE ATOM A       5 H4*           END -
 KMIN    15.00 RMIN    3.25 KMAX    15.00 RMAX    3.70
ASSIGN SELE ATOM A       5 2H2*          END -
       SELE ATOM A       5 H8            END -
 KMIN    15.00 RMIN    2.47 KMAX    15.00 RMAX    2.92
ASSIGN SELE ATOM A       5 1H2*           END -
       SELE ATOM A       5 H8            END -
 KMIN    15.00 RMIN    2.43 KMAX    15.00 RMAX    2.88
ASSIGN SELE ATOM A       5 H3*           END -
       SELE ATOM A       5 H4*           END -
 KMIN    15.00 RMIN    2.28 KMAX    15.00 RMAX    2.73
ASSIGN SELE ATOM A       5 H3*           END -
       SELE ATOM A       5 H1*           END -
 KMIN    15.00 RMIN    2.97 KMAX    15.00 RMAX    3.42
ASSIGN SELE ATOM A       5 H3*           END -
       SELE ATOM A       5 H8            END -
 KMIN    15.00 RMIN    2.45 KMAX    15.00 RMAX    2.90
ASSIGN SELE ATOM A       6 H1*           END -
       SELE ATOM MIT1    1 H%M7          END -
 KMIN    15.00 RMIN    2.93 KMAX    15.00 RMAX    3.70
ASSIGN SELE ATOM A       6 H1*           END -
       SELE ATOM A       6 H4*           END -
 KMIN    15.00 RMIN    3.00 KMAX    15.00 RMAX    3.45
ASSIGN SELE ATOM A       6 H8            END -
       SELE ATOM A       5 H1*           END -
 KMIN    15.00 RMIN    2.96 KMAX    15.00 RMAX    3.42
ASSIGN SELE ATOM A       6 H8            END -
       SELE ATOM A       5 H8            END -
 KMIN    12.00 RMIN    3.77 KMAX    12.00 RMAX    4.22
ASSIGN SELE ATOM A       6 H8            END -         
       SELE ATOM A       6 H1*           END -         
 KMIN    15.00 RMIN    2.93 KMAX    15.00 RMAX    3.38 
ASSIGN SELE ATOM A       6 2H2*          END -
       SELE ATOM A       6 H1*           END -
 KMIN    15.00 RMIN    1.93 KMAX    15.00 RMAX    2.33 
ASSIGN SELE ATOM A       6 H3*           END -
       SELE ATOM A       6 H1*           END -
 KMIN    15.00 RMIN    2.56 KMAX    15.00 RMAX    3.01
ASSIGN SELE ATOM A       7 H4*           END -
       SELE ATOM A       7 2H5*          END -
 KMIN    15.00 RMIN    2.47 KMAX    15.00 RMAX    2.92
ASSIGN SELE ATOM A       7 H8            END -
       SELE ATOM A       6 H1*           END -
 KMIN    15.00 RMIN    2.63 KMAX    15.00 RMAX    3.03 
ASSIGN SELE ATOM A       7 H8            END -
       SELE ATOM A       6 H8            END -
 KMIN    15.00 RMIN    3.01 KMAX    15.00 RMAX    3.46
ASSIGN SELE ATOM A       7 H8            END -
       SELE ATOM A       6 2H2*          END -
 KMIN    15.00 RMIN    2.75 KMAX    15.00 RMAX    3.20
ASSIGN SELE ATOM A       7 H8            END -
       SELE ATOM A       6 1H2*           END -
 KMIN    15.00 RMIN    2.36 KMAX    15.00 RMAX    2.81
ASSIGN SELE ATOM A       7 H8            END -
       SELE ATOM A       6 H3*           END -
 KMIN    15.00 RMIN    2.36 KMAX    15.00 RMAX    2.81
ASSIGN SELE ATOM A       7 H8            END -
       SELE ATOM A       7 H4*           END -
 KMIN    12.00 RMIN    3.93 KMAX    12.00 RMAX    4.38
ASSIGN SELE ATOM A       7 H8            END -         
       SELE ATOM A       7 H1*           END -         
 KMIN    15.00 RMIN    3.00 KMAX    15.00 RMAX    3.45 
ASSIGN SELE ATOM A       7 2H2*          END -
       SELE ATOM A       7 H1*           END -
 KMIN    15.00 RMIN    2.01 KMAX    15.00 RMAX    2.46
ASSIGN SELE ATOM A       7 1H2*           END -
       SELE ATOM A       7 H1*           END -
 KMIN    15.00 RMIN    2.72 KMAX    15.00 RMAX    3.17
ASSIGN SELE ATOM A       7 1H2*           END -
       SELE ATOM A       7 H8            END -
 KMIN    15.00 RMIN    2.94 KMAX    15.00 RMAX    3.39
ASSIGN SELE ATOM A       7 H3*           END -
       SELE ATOM A       7 H8            END -
 KMIN    15.00 RMIN    2.48 KMAX    15.00 RMAX    2.93
ASSIGN SELE ATOM A       7 H3*           END -
       SELE ATOM A       7 1H2*           END -
 KMIN    15.00 RMIN    2.29 KMAX    15.00 RMAX    2.74
ASSIGN SELE ATOM A      8 H1*           END -
       SELE ATOM A      8 H4*           END -
 KMIN    15.00 RMIN    2.37 KMAX    15.00 RMAX    2.82
ASSIGN SELE ATOM A       8 H6            END -
       SELE ATOM A       7 H1*           END -
 KMIN    15.00 RMIN    2.21 KMAX    15.00 RMAX    2.66
ASSIGN SELE ATOM A       8 H6            END -
       SELE ATOM A       7 H3*           END -
 KMIN    15.00 RMIN    2.59 KMAX    15.00 RMAX    3.04
ASSIGN SELE ATOM A       8 H6            END -
       SELE ATOM A       8 H5**          END -
 KMIN    12.00 RMIN    3.79 KMAX    12.00 RMAX    4.24
ASSIGN SELE ATOM A       8 H6            END -
       SELE ATOM A       8 H4*           END -
 KMIN    15.00 RMIN    3.30 KMAX    15.00 RMAX    3.70
ASSIGN SELE ATOM A       8 H6            END -         
       SELE ATOM A       8 H1*           END -         
 KMIN    15.00 RMIN    2.60 KMAX    15.00 RMAX    3.05 
ASSIGN SELE ATOM A       8 H5+           END -
       SELE ATOM A       7 H1*           END -
 KMIN    12.00 RMIN    3.53 KMAX    12.00 RMAX    3.98
ASSIGN SELE ATOM A       8 H5+            END -
       SELE ATOM A       7 H8            END -
 KMIN    15.00 RMIN    3.14 KMAX    15.00 RMAX    3.59
ASSIGN SELE ATOM A       8 1H2*           END -
       SELE ATOM A       8 H4*           END -
 KMIN    15.00 RMIN    3.04 KMAX    15.00 RMAX    3.44 
ASSIGN SELE ATOM A       8 1H2*           END -
       SELE ATOM A       8 H6            END -
 KMIN    15.00 RMIN    2.52 KMAX    15.00 RMAX    2.97
ASSIGN SELE ATOM A       8 H3*           END -
       SELE ATOM A       8 H1*           END -
 KMIN    15.00 RMIN    2.52 KMAX    15.00 RMAX    2.97
ASSIGN SELE ATOM A       8 H3*           END -
       SELE ATOM A       8 1H2*           END -
 KMIN    15.00 RMIN    2.36 KMAX    15.00 RMAX    2.81
ASSIGN SELE ATOM B       1 H4*           END -
       SELE ATOM B       1 H5**          END -
 KMIN    15.00 RMIN    2.59 KMAX    15.00 RMAX    3.04
ASSIGN SELE ATOM B       1 H2            END -
       SELE ATOM B       1 H1*           END -
 KMIN    12.00 RMIN    4.14 KMAX    12.00 RMAX    4.59
ASSIGN SELE ATOM B       1 H8            END -
       SELE ATOM B       1 H1*           END -
 KMIN    12.00 RMIN    4.11 KMAX    12.00 RMAX    4.56
ASSIGN SELE ATOM B       1 2H2*          END -
       SELE ATOM B       1 H8            END -
 KMIN    12.00 RMIN    4.12 KMAX    12.00 RMAX    4.57
ASSIGN SELE ATOM B       1 1H2*           END -
       SELE ATOM B       1 H8            END -
 KMIN    15.00 RMIN    2.64 KMAX    15.00 RMAX    3.09
ASSIGN SELE ATOM B       1 H3*           END -
       SELE ATOM B       1 H1*           END -
 KMIN    15.00 RMIN    3.29 KMAX    15.00 RMAX    3.74
ASSIGN SELE ATOM B       1 H3*           END -
       SELE ATOM B       1 H8            END -
 KMIN    15.00 RMIN    2.90 KMAX    15.00 RMAX    3.35
ASSIGN SELE ATOM B       2 H1*           END -
       SELE ATOM B       1 H2            END -
 KMIN    15.00 RMIN    2.71 KMAX    15.00 RMAX    3.16
ASSIGN SELE ATOM B       2 H1*           END -
       SELE ATOM B       2 H4*           END -
 KMIN    15.00 RMIN    2.56 KMAX    15.00 RMAX    3.01
ASSIGN SELE ATOM B       2 H6            END -
       SELE ATOM B       1 H1*           END -
 KMIN    12.00 RMIN    4.15 KMAX    12.00 RMAX    4.60
ASSIGN SELE ATOM B       2 H6            END -
       SELE ATOM B       1 2H2*          END -
 KMIN    15.00 RMIN    3.02 KMAX    15.00 RMAX    3.47
ASSIGN SELE ATOM B       2 H6            END -
       SELE ATOM B       1 1H2*           END -
 KMIN    15.00 RMIN    2.56 KMAX    15.00 RMAX    3.01
ASSIGN SELE ATOM B       2 H6            END -
       SELE ATOM B       1 H3*           END -
 KMIN    15.00 RMIN    2.33 KMAX    15.00 RMAX    2.78
ASSIGN SELE ATOM B       2 H6            END -         
       SELE ATOM B       2 H1*           END -          
 KMIN    15.00 RMIN    3.19 KMAX    15.00 RMAX    3.64 
ASSIGN SELE ATOM B       2 H5            END -
       SELE ATOM B       1 H8            END -
 KMIN    15.00 RMIN    3.06 KMAX    15.00 RMAX    3.51
ASSIGN SELE ATOM B       2 H3*           END -
       SELE ATOM B       2 H1*           END -
 KMIN    15.00 RMIN    2.74 KMAX    15.00 RMAX    3.19
ASSIGN SELE ATOM B       2 H3*           END -
       SELE ATOM B       2 H6            END -
 KMIN    15.00 RMIN    2.40 KMAX    15.00 RMAX    2.85
ASSIGN SELE ATOM B       3 H4*           END -
       SELE ATOM B       3 2H5*          END -
 KMIN    15.00 RMIN    2.34 KMAX    15.00 RMAX    2.79
ASSIGN SELE ATOM B       3 H6            END -
       SELE ATOM B       2 H1*           END -
 KMIN    15.00 RMIN    3.18 KMAX    15.00 RMAX    3.63
ASSIGN SELE ATOM B       3 H6            END -
       SELE ATOM B       2 H3*           END -
 KMIN    15.00 RMIN    2.68 KMAX    15.00 RMAX    3.13
ASSIGN SELE ATOM B       3 H5            END -
       SELE ATOM B       2 H6            END -
 KMIN    15.00 RMIN    3.00 KMAX    15.00 RMAX    3.4
ASSIGN SELE ATOM B       3 H5            END -
       SELE ATOM B       2 1H2*           END -
 KMIN    15.00 RMIN    2.51 KMAX    15.00 RMAX    2.96
ASSIGN SELE ATOM B       3 2H2*          END -
       SELE ATOM B       3 H1*           END -
 KMIN    15.00 RMIN    1.87 KMAX    15.00 RMAX    2.32
ASSIGN SELE ATOM B       3 2H2*          END -
       SELE ATOM B       3 H6            END -
 KMIN    15.00 RMIN    3.13 KMAX    15.00 RMAX    3.58
ASSIGN SELE ATOM B       3 1H2*           END -
       SELE ATOM B       3 H1*           END -
 KMIN    15.00 RMIN    2.45 KMAX    15.00 RMAX    2.90
ASSIGN SELE ATOM B       3 1H2*           END -
       SELE ATOM B       3 H6            END -
 KMIN    15.00 RMIN    2.72 KMAX    15.00 RMAX    3.17
ASSIGN SELE ATOM B       3 H3*           END -
       SELE ATOM B       3 H1*           END -
 KMIN    15.00 RMIN    2.63 KMAX    15.00 RMAX    3.08
ASSIGN SELE ATOM B       3 H3*           END -
       SELE ATOM B       3 H6            END -
 KMIN    15.00 RMIN    2.05 KMAX    15.00 RMAX    2.50
ASSIGN SELE ATOM B       3 H3*           END -
       SELE ATOM B       3 1H2*           END -
 KMIN    15.00 RMIN    2.47 KMAX    15.00 RMAX    2.92
ASSIGN SELE ATOM B       4 H6            END -
       SELE ATOM B       3 H1*           END -
 KMIN    15.00 RMIN    2.75 KMAX    15.00 RMAX    3.20
ASSIGN SELE ATOM B       4 H6            END -
       SELE ATOM B       3 2H2*          END -
 KMIN    12.00 RMIN    2.80 KMAX    12.00 RMAX    3.30
ASSIGN SELE ATOM B       4 H6            END -
       SELE ATOM B       3 H3*           END -
 KMIN    15.00 RMIN    2.33 KMAX    15.00 RMAX    2.78
ASSIGN SELE ATOM B       4 H6            END -         
       SELE ATOM B       4 H1*           END -         
 KMIN    15.00 RMIN    3.12 KMAX    15.00 RMAX    3.57
ASSIGN SELE ATOM B       4 H5            END -
       SELE ATOM B       3 H6            END -
 KMIN    15.00 RMIN    2.34 KMAX    15.00 RMAX    2.79
ASSIGN SELE ATOM B       4 H5            END -
       SELE ATOM B       3 2H2*          END -
 KMIN    15.00 RMIN    3.50 KMAX    15.00 RMAX    4.50
ASSIGN SELE ATOM B       4 H5            END -
       SELE ATOM B       3 H3*           END -
 KMIN    15.00 RMIN    3.61 KMAX    15.00 RMAX    4.011
ASSIGN SELE ATOM B       4 2H2*          END -
       SELE ATOM B       4 H1*           END -
 KMIN    15.00 RMIN    2.18 KMAX    15.00 RMAX    2.63
ASSIGN SELE ATOM B       4 2H2*          END -
       SELE ATOM B       4 H6            END -
 KMIN    15.00 RMIN    2.99 KMAX    15.00 RMAX    3.39 
ASSIGN SELE ATOM B       4 1H2*           END -
       SELE ATOM B       4 H1*           END -
 KMIN    15.00 RMIN    2.69 KMAX    15.00 RMAX    3.14
ASSIGN SELE ATOM B       4 H3*           END -
       SELE ATOM B       4 H1*           END -
 KMIN    15.00 RMIN    2.78 KMAX    15.00 RMAX    3.23
ASSIGN SELE ATOM B       4 H3*           END -
       SELE ATOM B       4 H6            END -
 KMIN    15.00 RMIN    2.44 KMAX    15.00 RMAX    2.89
ASSIGN SELE ATOM B       4 H3*           END -
       SELE ATOM B       4 H5            END -
 KMIN    15.00 RMIN    3.11 KMAX    15.00 RMAX    3.56
ASSIGN SELE ATOM B       4 H3*           END -
       SELE ATOM B       4 2H2*          END -
 KMIN    15.00 RMIN    2.70 KMAX    15.00 RMAX    3.15
ASSIGN SELE ATOM B       4 H3*           END -
       SELE ATOM B       4 1H2*           END -
 KMIN    15.00 RMIN    2.35 KMAX    15.00 RMAX    2.81
ASSIGN SELE ATOM B       5 H4*           END -
       SELE ATOM B       5 2H5*          END -
 KMIN    15.00 RMIN    2.66 KMAX    15.00 RMAX    3.11
ASSIGN SELE ATOM B       5 H8            END -
       SELE ATOM B       4 H1*           END -
 KMIN    15.00 RMIN    2.75 KMAX    15.00 RMAX    3.21
ASSIGN SELE ATOM B       5 H8            END -
       SELE ATOM B       4 2H2*          END -
 KMIN    15.00 RMIN    3.06 KMAX    15.00 RMAX    3.51
ASSIGN SELE ATOM B       5 H8            END -
       SELE ATOM B       4 1H2*           END -
 KMIN    15.00 RMIN    2.52 KMAX    15.00 RMAX    2.97
ASSIGN SELE ATOM B       5 H8            END -
       SELE ATOM B       4 H3*           END -
 KMIN    15.00 RMIN    3.02 KMAX    15.00 RMAX    3.47
ASSIGN SELE ATOM B       5 H8            END -
       SELE ATOM B       5 H4*           END -
 KMIN    15.00 RMIN    3.26 KMAX    15.00 RMAX    3.71
ASSIGN SELE ATOM B       5 H8            END -       
       SELE ATOM B       5 H1*           END -         
 KMIN    15.00 RMIN    3.09 KMAX    15.00 RMAX    3.54 
ASSIGN SELE ATOM B       5 2H2*          END -
       SELE ATOM B       5 H8            END -
 KMIN    15.00 RMIN    2.50 KMAX    15.00 RMAX    2.95
ASSIGN SELE ATOM B       5 1H2*           END -
       SELE ATOM B       5 H8            END -
 KMIN    15.00 RMIN    2.42 KMAX    15.00 RMAX    2.87
ASSIGN SELE ATOM B       5 H3*           END -
       SELE ATOM B       5 H4*           END -
 KMIN    15.00 RMIN    2.29 KMAX    15.00 RMAX    2.74
ASSIGN SELE ATOM B       5 H3*           END -
       SELE ATOM B       5 H1*           END -
 KMIN    15.00 RMIN    2.98 KMAX    15.00 RMAX    3.43
ASSIGN SELE ATOM B       5 H3*           END -
       SELE ATOM B       5 H8            END -
 KMIN    15.00 RMIN    2.46 KMAX    15.00 RMAX    2.91
ASSIGN SELE ATOM B       6 H1*           END -
       SELE ATOM B       6 H4*           END -
 KMIN    15.00 RMIN    2.93 KMAX    15.00 RMAX    3.45
ASSIGN SELE ATOM B       6 H8            END -
       SELE ATOM B       5 H1*           END -
 KMIN    15.00 RMIN    2.59 KMAX    15.00 RMAX    3.04
ASSIGN SELE ATOM B       6 H8            END -
       SELE ATOM B       5 H8            END -
 KMIN    12.00 RMIN    3.74 KMAX    12.00 RMAX    4.19
ASSIGN SELE ATOM B       6 H8            END -        
       SELE ATOM B       6 H1*           END -         
 KMIN    15.00 RMIN    2.93 KMAX    15.00 RMAX    3.38 
ASSIGN SELE ATOM B       6 2H2*          END -
       SELE ATOM B       6 H1*           END -
 KMIN    15.00 RMIN    1.93 KMAX    15.00 RMAX    2.33 
ASSIGN SELE ATOM B       6 1H2*           END -        
       SELE ATOM B       6 H1*           END -
 KMIN    15.00 RMIN    2.87 KMAX    15.00 RMAX    3.27
ASSIGN SELE ATOM B       6 H3*           END -
       SELE ATOM B       6 H1*           END -
 KMIN    15.00 RMIN    2.56 KMAX    15.00 RMAX    3.01
ASSIGN SELE ATOM B       7 H4*           END -
       SELE ATOM B       7 H5**          END -
 KMIN    15.00 RMIN    2.49 KMAX    15.00 RMAX    2.94
ASSIGN SELE ATOM B       7 H8            END -
       SELE ATOM B       6 H1*           END -
 KMIN    15.00 RMIN    2.63 KMAX    15.00 RMAX    3.03 
ASSIGN SELE ATOM B       7 H8            END -
       SELE ATOM B       6 H8            END -
 KMIN    15.00 RMIN    3.00 KMAX    15.00 RMAX    3.45
ASSIGN SELE ATOM B       7 H8            END -
       SELE ATOM B       6 2H2*          END -
 KMIN    15.00 RMIN    2.75 KMAX    15.00 RMAX    3.20
ASSIGN SELE ATOM B       7 H8            END -
       SELE ATOM B       6 1H2*           END -
 KMIN    15.00 RMIN    2.36 KMAX    15.00 RMAX    2.81
ASSIGN SELE ATOM B       7 H8            END -
       SELE ATOM B       6 H3*           END -
 KMIN    15.00 RMIN    2.36 KMAX    15.00 RMAX    2.81
ASSIGN SELE ATOM B       7 H8            END -
       SELE ATOM B       7 H4*           END -
 KMIN    12.00 RMIN    3.93 KMAX    12.00 RMAX    4.38
ASSIGN SELE ATOM B       7 H8            END -         
       SELE ATOM B       7 H1*           END -         
 KMIN    15.00 RMIN    3.00 KMAX    15.00 RMAX    3.45 
ASSIGN SELE ATOM B       7 2H2*          END -
       SELE ATOM B       7 H1*           END -
 KMIN    15.00 RMIN    2.03 KMAX    15.00 RMAX    2.48
ASSIGN SELE ATOM B       7 1H2*           END -
       SELE ATOM B       7 H1*           END -
 KMIN    15.00 RMIN    2.60 KMAX    15.00 RMAX    3.05
ASSIGN SELE ATOM B       7 1H2*           END -
       SELE ATOM B       7 H8            END -
 KMIN    15.00 RMIN    2.94 KMAX    15.00 RMAX    3.39
ASSIGN SELE ATOM B       7 H3*           END -
       SELE ATOM B       7 H8            END -
 KMIN    15.00 RMIN    2.47 KMAX    15.00 RMAX    2.92
ASSIGN SELE ATOM B       7 H3*           END -
       SELE ATOM B       7 1H2*           END -
 KMIN    15.00 RMIN    2.25 KMAX    15.00 RMAX    2.70
ASSIGN SELE ATOM B       8 H1*           END -
       SELE ATOM MIT1    2 H71           END -
 KMIN    15.00 RMIN    2.78 KMAX    15.00 RMAX    3.23
ASSIGN SELE ATOM B       8 H1*           END -
       SELE ATOM B       8 H4*           END -
 KMIN    15.00 RMIN    2.45 KMAX    15.00 RMAX    2.90
ASSIGN SELE ATOM B       8 1H2*           END -
       SELE ATOM B       8 H4*           END -
 KMIN    15.00 RMIN    3.04 KMAX    15.00 RMAX    3.44
ASSIGN SELE ATOM B       8 H6            END -
       SELE ATOM B       7 H1*           END -
 KMIN    15.00 RMIN    2.22 KMAX    15.00 RMAX    2.67
ASSIGN SELE ATOM B       8 H6            END -
       SELE ATOM B       7 H3*           END -
 KMIN    15.00 RMIN    2.80 KMAX    15.00 RMAX    3.20
ASSIGN SELE ATOM B       8 H6            END -
       SELE ATOM B       8 H5**          END -
 KMIN    12.00 RMIN    4.18 KMAX    12.00 RMAX    4.63
ASSIGN SELE ATOM B       8 H6            END -
       SELE ATOM B       8 H4*           END -
 KMIN    15.00 RMIN    3.30 KMAX    15.00 RMAX    3.70
ASSIGN SELE ATOM B       8 H6            END -         
       SELE ATOM B       8 H1*           END -         
 KMIN    15.00 RMIN    2.65 KMAX    15.00 RMAX    3.10 
ASSIGN SELE ATOM B       8 H5+            END -
       SELE ATOM B       7 H1*           END -
 KMIN    12.00 RMIN    3.47 KMAX    12.00 RMAX    3.92
ASSIGN SELE ATOM B       8 H5+            END -
       SELE ATOM B       7 H8            END -
 KMIN    15.00 RMIN    3.14 KMAX    15.00 RMAX    3.59
ASSIGN SELE ATOM B       8 1H2*           END -
       SELE ATOM B       8 H6            END -
 KMIN    15.00 RMIN    2.63 KMAX    15.00 RMAX    3.08
ASSIGN SELE ATOM B       8 H3*           END -
       SELE ATOM B       8 H1*           END -
 KMIN    15.00 RMIN    2.53 KMAX    15.00 RMAX    2.98
ASSIGN SELE ATOM B       8 H3*           END -
       SELE ATOM B       8 1H2*           END -
 KMIN    15.00 RMIN    2.29 KMAX    15.00 RMAX    2.75
ASSIGN SELE ATOM MIT2    9 H6            END -
       SELE ATOM MIT2    9 H4            END -
 KMIN    15.00 RMIN    2.48 KMAX    15.00 RMAX    2.93
ASSIGN SELE ATOM MIT2    9 H9            END -
       SELE ATOM MIT2    9 H4            END -
 KMIN    15.00 RMIN    3.23 KMAX    15.00 RMAX    3.68
ASSIGN SELE ATOM MIT2    9 H12           END -
       SELE ATOM MIT2    9 H6            END -
 KMIN    15.00 RMIN    3.07 KMAX    15.00 RMAX    3.52
ASSIGN SELE ATOM MIT2    9 H12           END -
       SELE ATOM MIT2    9 H7            END -
 KMIN    15.00 RMIN    2.60 KMAX    15.00 RMAX    3.05
ASSIGN SELE ATOM MIT2    9 H12           END -
       SELE ATOM MIT2    9 H9            END -
 KMIN    15.00 RMIN    2.08 KMAX    15.00 RMAX    2.53
ASSIGN SELE ATOM MIT2    9 H19           END -
       SELE ATOM MIT2    9 H4            END -
 KMIN    15.00 RMIN    1.98 KMAX    15.00 RMAX    2.43
ASSIGN SELE ATOM MIT2    9 H19           END -
       SELE ATOM MIT2    9 H6            END -
 KMIN    15.00 RMIN    2.23 KMAX    15.00 RMAX    2.68
ASSIGN SELE ATOM MIT2    9 H19           END -
       SELE ATOM MIT2    9 H7            END -
 KMIN    15.00 RMIN    2.53 KMAX    15.00 RMAX    2.98
ASSIGN SELE ATOM MIT2    9 H19           END -
       SELE ATOM MIT2    9 H9            END -
 KMIN    12.00 RMIN    3.46 KMAX    12.00 RMAX    3.91
ASSIGN SELE ATOM MIT2    9 H19           END -
       SELE ATOM MIT2    9 H%M1          END -
 KMIN    15.00 RMIN    3.01 KMAX    15.00 RMAX    3.46
ASSIGN SELE ATOM MIT2    9 H25           END -
       SELE ATOM MIT2    9 H19           END -
 KMIN    15.00 RMIN    2.43 KMAX    15.00 RMAX    2.88
ASSIGN SELE ATOM MIT2    9 H25           END -
       SELE ATOM MIT2    9 H23           END -
 KMIN    15.00 RMIN    2.17 KMAX    15.00 RMAX    2.62
ASSIGN SELE ATOM MIT2    9 H28           END -
       SELE ATOM MIT2    9 H19           END -
 KMIN    12.00 RMIN    3.47 KMAX    12.00 RMAX    3.92
ASSIGN SELE ATOM MIT2    9 H28           END -
       SELE ATOM MIT2    9 H23           END -
 KMIN    15.00 RMIN    2.81 KMAX    15.00 RMAX    3.26
ASSIGN SELE ATOM MIT2    9 H28           END -
       SELE ATOM MIT2    9 H25           END -
 KMIN    15.00 RMIN    2.41 KMAX    15.00 RMAX    2.86
ASSIGN SELE ATOM MIT2    9 H28           END -
       SELE ATOM MIT2    9 H26           END -
 KMIN    15.00 RMIN    2.37 KMAX    15.00 RMAX    2.82
ASSIGN SELE ATOM MIT2    9 H31           END -
       SELE ATOM MIT2    9 H28           END -
 KMIN    15.00 RMIN    2.29 KMAX    15.00 RMAX    2.74
ASSIGN SELE ATOM MIT2    9 H%M2          END -
       SELE ATOM MIT2    9 H28           END -
 KMIN    15.00 RMIN    1.92 KMAX    15.00 RMAX    2.37
ASSIGN SELE ATOM MIT2    9 H38           END -
       SELE ATOM MIT2    9 H23           END -
 KMIN    15.00 RMIN    2.18 KMAX    15.00 RMAX    2.63
ASSIGN SELE ATOM MIT2    9 H38           END -
       SELE ATOM MIT2    9 H25           END -
 KMIN    15.00 RMIN    2.48 KMAX    15.00 RMAX    2.93
ASSIGN SELE ATOM MIT2    9 H38           END -
       SELE ATOM MIT2    9 H26           END -
 KMIN    15.00 RMIN    2.64 KMAX    15.00 RMAX    3.09
ASSIGN SELE ATOM MIT2    9 H38           END -
       SELE ATOM MIT2    9 H28           END -
 KMIN    15.00 RMIN    2.45 KMAX    15.00 RMAX    2.90
ASSIGN SELE ATOM MIT2    9 H38           END -
       SELE ATOM MIT2    9 H31           END -
 KMIN    15.00 RMIN    1.78 KMAX    15.00 RMAX    2.23
ASSIGN SELE ATOM MIT2    9 H38           END -
       SELE ATOM MIT2    9 H%M2          END -
 KMIN    15.00 RMIN    3.22 KMAX    15.00 RMAX    3.67
ASSIGN SELE ATOM MIT2    9 H%M3          END -
       SELE ATOM MIT1    1 H%M7          END -
 KMIN    12.00 RMIN    5.07 KMAX    12.00 RMAX    5.52
ASSIGN SELE ATOM MIT2    9 H%M3          END -
       SELE ATOM B       4 H1*           END -
 KMIN    12.00 RMIN    4.83 KMAX    12.00 RMAX    5.28
ASSIGN SELE ATOM MIT2    9 H55           END -
       SELE ATOM MIT2    9 H26           END -
 KMIN    15.00 RMIN    3.08 KMAX    15.00 RMAX    3.53
ASSIGN SELE ATOM MIT2    9 H55           END -
       SELE ATOM MIT2    9 H%M2          END -
 KMIN    15.00 RMIN    2.78 KMAX    15.00 RMAX    3.23
ASSIGN SELE ATOM MIT2    9 H55           END -
       SELE ATOM MIT2    9 H38           END -
 KMIN    15.00 RMIN    1.82 KMAX    15.00 RMAX    2.27
ASSIGN SELE ATOM MIT2    9 H58           END -
       SELE ATOM MIT2    9 H31           END -
 KMIN    15.00 RMIN    2.78 KMAX    15.00 RMAX    3.23
ASSIGN SELE ATOM MIT2    9 H58           END -
       SELE ATOM MIT2    9 H%M2          END -
 KMIN    12.00 RMIN    3.96 KMAX    12.00 RMAX    4.41
ASSIGN SELE ATOM MIT2    9 H58           END -
       SELE ATOM MIT2    9 H38           END -
 KMIN    15.00 RMIN    2.81 KMAX    15.00 RMAX    3.26
ASSIGN SELE ATOM MIT2    9 H62           END -
       SELE ATOM MIT2    9 H58           END -
 KMIN    15.00 RMIN    1.85 KMAX    15.00 RMAX    2.30
ASSIGN SELE ATOM MIT2    9 H69           END -
       SELE ATOM MIT2    9 H66           END -
 KMIN    15.00 RMIN    2.33 KMAX    15.00 RMAX    2.78
ASSIGN SELE ATOM MIT2    9 H71           END -
       SELE ATOM A       8 H1*           END -
 KMIN    15.00 RMIN    2.62 KMAX    15.00 RMAX    3.07
ASSIGN SELE ATOM MIT2    9 H71           END -
       SELE ATOM MIT2    9 H66           END -
 KMIN    12.00 RMIN    3.61 KMAX    12.00 RMAX    4.06
ASSIGN SELE ATOM MIT2    9 H71           END -
       SELE ATOM MIT2    9 H69           END -
 KMIN    15.00 RMIN    2.61 KMAX    15.00 RMAX    3.06
ASSIGN SELE ATOM MIT2    9 H72           END -
       SELE ATOM MIT2    9 H69           END -
 KMIN    15.00 RMIN    3.03 KMAX    15.00 RMAX    3.48
ASSIGN SELE ATOM MIT2    9 H75           END -
       SELE ATOM MIT2    9 H69           END -
 KMIN    15.00 RMIN    2.87 KMAX    15.00 RMAX    3.32
ASSIGN SELE ATOM MIT2    9 H%M4          END -
       SELE ATOM MIT2    9 H66           END -
 KMIN    15.00 RMIN    2.82 KMAX    15.00 RMAX    3.27
ASSIGN SELE ATOM MIT2    9 H%M4          END -
       SELE ATOM MIT2    9 H69           END -
 KMIN    12.00 RMIN    4.20 KMAX    12.00 RMAX    4.65
ASSIGN SELE ATOM MIT2    9 H100          END -
       SELE ATOM MIT2    9 H88           END -
 KMIN    15.00 RMIN    3.15 KMAX    15.00 RMAX    3.60
ASSIGN SELE ATOM MIT2    9 7H10          END -
       SELE ATOM B       1 H2            END -
 KMIN    15.00 RMIN    2.85 KMAX    15.00 RMAX    3.30
ASSIGN SELE ATOM MIT2    9 7H10          END -
       SELE ATOM MIT2    9 H83           END -
 KMIN    15.00 RMIN    2.21 KMAX    15.00 RMAX    2.66
ASSIGN SELE ATOM MIT2    9 0H11          END -
       SELE ATOM B       1 H2            END -
 KMIN    15.00 RMIN    2.25 KMAX    15.00 RMAX    2.70
ASSIGN SELE ATOM MIT2    9 0H11          END -
       SELE ATOM B       2 H1*           END -
 KMIN    15.00 RMIN    3.23 KMAX    15.00 RMAX    3.68
ASSIGN SELE ATOM MIT2    9 0H11          END -
       SELE ATOM MIT2    9 7H10          END -
 KMIN    15.00 RMIN    2.11 KMAX    15.00 RMAX    2.56
ASSIGN SELE ATOM MIT2    9 H%M6          END -
       SELE ATOM B       1 H1*           END -
 KMIN    12.00 RMIN    4.37 KMAX    12.00 RMAX    4.82
ASSIGN SELE ATOM MIT2    9 H%M6          END -
       SELE ATOM B       1 H2            END -
 KMIN    12.00 RMIN    4.05 KMAX    12.00 RMAX    4.50
ASSIGN SELE ATOM MIT2    9 7H11          END -
       SELE ATOM MIT2    9 H83           END -
 KMIN    15.00 RMIN    2.40 KMAX    15.00 RMAX    2.85
ASSIGN SELE ATOM MIT2    9 7H11          END -
       SELE ATOM MIT2    9 7H10          END -
 KMIN    15.00 RMIN    2.95 KMAX    15.00 RMAX    3.40
ASSIGN SELE ATOM MIT2    9 7H11          END -
       SELE ATOM MIT2    9 0H11          END -
 KMIN    15.00 RMIN    2.35 KMAX    15.00 RMAX    2.80
ASSIGN SELE ATOM MIT2    9 H%M7          END -
       SELE ATOM B       1 H1*           END -
 KMIN    12.00 RMIN    4.80 KMAX    12.00 RMAX    5.25
ASSIGN SELE ATOM MIT2    9 H%M7          END -
       SELE ATOM B       1 H2            END -
 KMIN    12.00 RMIN    3.94 KMAX    12.00 RMAX    4.39
ASSIGN SELE ATOM MIT2    9 6H12          END -
       SELE ATOM MIT2    9 7H10          END -
 KMIN    15.00 RMIN    2.35 KMAX    15.00 RMAX    2.80
ASSIGN SELE ATOM MIT2    9 H%M9          END -
       SELE ATOM MIT2    9 H64           END -
 KMIN    12.00 RMIN    4.00 KMAX    12.00 RMAX    4.50
ASSIGN SELE ATOM MIT2    9 H%M9          END -
       SELE ATOM MIT2    9 H66           END -
 KMIN    15.00 RMIN    3.19 KMAX    15.00 RMAX    3.65
ASSIGN SELE ATOM MIT2    9 H%M9          END -
       SELE ATOM MIT2    9 3H14          END -
 KMIN    15.00 RMIN    2.46 KMAX    15.00 RMAX    2.91
ASSIGN SELE ATOM MIT2   10 H6            END -
       SELE ATOM MIT2   10 H4            END -
 KMIN    15.00 RMIN    2.54 KMAX    15.00 RMAX    2.99
ASSIGN SELE ATOM MIT2   10 H9            END -
       SELE ATOM MIT2   10 H4            END -
 KMIN    15.00 RMIN    3.23 KMAX    15.00 RMAX    3.68
ASSIGN SELE ATOM MIT2   10 H12           END -
       SELE ATOM MIT2   10 H6            END -
 KMIN    15.00 RMIN    3.07 KMAX    15.00 RMAX    3.52
ASSIGN SELE ATOM MIT2   10 H12           END -
       SELE ATOM MIT2   10 H7            END -
 KMIN    15.00 RMIN    2.61 KMAX    15.00 RMAX    3.06
ASSIGN SELE ATOM MIT2   10 H12           END -
       SELE ATOM MIT2   10 H9            END -
 KMIN    15.00 RMIN    2.04 KMAX    15.00 RMAX    2.49
ASSIGN SELE ATOM MIT2   10 H19           END -
       SELE ATOM MIT2   10 H4            END -
 KMIN    15.00 RMIN    1.90 KMAX    15.00 RMAX    2.35
ASSIGN SELE ATOM MIT2   10 H19           END -
       SELE ATOM MIT2   10 H6            END -
 KMIN    15.00 RMIN    2.17 KMAX    15.00 RMAX    2.62
ASSIGN SELE ATOM MIT2   10 H19           END -
       SELE ATOM MIT2   10 H7            END -
 KMIN    15.00 RMIN    2.63 KMAX    15.00 RMAX    3.08
ASSIGN SELE ATOM MIT2   10 H19           END -
       SELE ATOM MIT2   10 H9            END -
 KMIN    12.00 RMIN    3.96 KMAX    12.00 RMAX    4.41
ASSIGN SELE ATOM MIT2   10 H19           END -
       SELE ATOM MIT2   10 H%M1          END -
 KMIN    15.00 RMIN    2.94 KMAX    15.00 RMAX    3.39
ASSIGN SELE ATOM MIT2   10 H25           END -
       SELE ATOM MIT2   10 H19           END -
 KMIN    15.00 RMIN    3.19 KMAX    15.00 RMAX    3.64
ASSIGN SELE ATOM MIT2   10 H25           END -
       SELE ATOM MIT2   10 H23           END -
 KMIN    15.00 RMIN    2.25 KMAX    15.00 RMAX    2.70
ASSIGN SELE ATOM MIT2   10 H28           END -
       SELE ATOM MIT2    9 7H10          END -
 KMIN    12.00 RMIN    4.08 KMAX    12.00 RMAX    4.54
ASSIGN SELE ATOM MIT2   10 H28           END -
       SELE ATOM MIT2    9 0H11          END -
 KMIN    15.00 RMIN    2.52 KMAX    15.00 RMAX    2.97
ASSIGN SELE ATOM MIT2   10 H28           END -
       SELE ATOM MIT2   10 H19           END -
 KMIN    12.00 RMIN    4.56 KMAX    12.00 RMAX    5.01
ASSIGN SELE ATOM MIT2   10 H28           END -
       SELE ATOM MIT2   10 H23           END -
 KMIN    15.00 RMIN    2.47 KMAX    15.00 RMAX    2.92
ASSIGN SELE ATOM MIT2   10 H28           END -
       SELE ATOM MIT2   10 H25           END -
 KMIN    15.00 RMIN    2.42 KMAX    15.00 RMAX    2.87
ASSIGN SELE ATOM MIT2   10 H28           END -
       SELE ATOM MIT2   10 H26           END -
 KMIN    15.00 RMIN    2.15 KMAX    15.00 RMAX    2.60
ASSIGN SELE ATOM MIT2   10 H31           END -
       SELE ATOM MIT2   10 H28           END -
 KMIN    15.00 RMIN    2.22 KMAX    15.00 RMAX    2.67
ASSIGN SELE ATOM MIT2   10 H%M2          END -
       SELE ATOM MIT2   10 H28           END -
 KMIN    15.00 RMIN    1.94 KMAX    15.00 RMAX    2.39
ASSIGN SELE ATOM MIT2   10 H38           END -
       SELE ATOM B       3 H4*           END -
 KMIN    15.00 RMIN    2.80 KMAX    15.00 RMAX    3.20 
ASSIGN SELE ATOM MIT2   10 H38           END -
       SELE ATOM MIT2    9 H%M5          END -
 KMIN    12.00 RMIN    4.31 KMAX    12.00 RMAX    4.76
ASSIGN SELE ATOM MIT2   10 H38           END -
       SELE ATOM MIT2   0 H23           END -
 KMIN    15.00 RMIN    2.22 KMAX    15.00 RMAX    2.67
ASSIGN SELE ATOM MIT2   10 H38           END -
       SELE ATOM MIT2   10 H25           END -
 KMIN    15.00 RMIN    2.40 KMAX    15.00 RMAX    2.85
ASSIGN SELE ATOM MIT2   10 H38           END -
       SELE ATOM MIT2   10 H26           END -
 KMIN    15.00 RMIN    2.46 KMAX    15.00 RMAX    2.91
ASSIGN SELE ATOM MIT2   10 H38           END -
       SELE ATOM MIT2   10 H28           END -
 KMIN    15.00 RMIN    2.40 KMAX    15.00 RMAX    2.85
ASSIGN SELE ATOM MIT2   10 H38           END -
       SELE ATOM MIT2   10 H31           END -
 KMIN    15.00 RMIN    1.70 KMAX    15.00 RMAX    2.15
ASSIGN SELE ATOM MIT2   10 H38           END -
       SELE ATOM MIT2   10 H%M2          END -
 KMIN    12.00 RMIN    3.36 KMAX    12.00 RMAX    3.81
ASSIGN SELE ATOM MIT2   10 H%M3          END -
       SELE ATOM B       1 H2            END -
 KMIN    15.00 RMIN    2.61 KMAX    15.00 RMAX    3.06
ASSIGN SELE ATOM MIT2   10 H%M3          END -
       SELE ATOM MIT2    9 4H10          END -
 KMIN    15.00 RMIN    2.75 KMAX    15.00 RMAX    3.20
ASSIGN SELE ATOM MIT2   10 H%M3          END -
       SELE ATOM MIT2    9 7H10          END -
 KMIN    15.00 RMIN    3.00 KMAX    15.00 RMAX    3.45
ASSIGN SELE ATOM MIT2   10 H%M3          END -
       SELE ATOM MIT2    9 0H11          END -
 KMIN    15.00 RMIN    2.84 KMAX    15.00 RMAX    3.24
ASSIGN SELE ATOM MIT2   10 H55           END -
       SELE ATOM B       3 H4*           END -
 KMIN    12.00 RMIN    4.09 KMAX    12.00 RMAX    4.54
ASSIGN SELE ATOM MIT2   10 H55           END -
       SELE ATOM MIT2    9 H%M5          END -
 KMIN    12.00 RMIN    3.51 KMAX    12.00 RMAX    3.96
ASSIGN SELE ATOM MIT2   10 H55           END -
       SELE ATOM MIT2    9 7H10          END -
 KMIN    15.00 RMIN    3.29 KMAX    15.00 RMAX    3.69
ASSIGN SELE ATOM MIT2   10 H55           END -
       SELE ATOM MIT2   10 H23           END -
 KMIN    12.00 RMIN    3.33 KMAX    12.00 RMAX    3.78
ASSIGN SELE ATOM MIT2   10 H55           END -
       SELE ATOM MIT2   10 H26           END -
 KMIN    15.00 RMIN    2.96 KMAX    15.00 RMAX    3.41
ASSIGN SELE ATOM MIT2   10 H55           END -
       SELE ATOM MIT2   10 H%M2          END -
 KMIN    15.00 RMIN    2.79 KMAX    15.00 RMAX    3.24
ASSIGN SELE ATOM MIT2   10 H55           END -
       SELE ATOM MIT2   10 H38           END -
 KMIN    15.00 RMIN    1.73 KMAX    15.00 RMAX    2.18
ASSIGN SELE ATOM MIT2   10 H58           END -
       SELE ATOM MIT2    9 H94           END -
 KMIN    15.00 RMIN    3.07 KMAX    15.00 RMAX    3.52
ASSIGN SELE ATOM MIT2   10 H58           END -
       SELE ATOM MIT2    9 H%M5          END -
 KMIN    12.00 RMIN    3.136 KMAX    12.00 RMAX    3.81
ASSIGN SELE ATOM MIT2   10 H58           END -
       SELE ATOM MIT2   10 H31           END -
 KMIN    15.00 RMIN    2.80 KMAX    15.00 RMAX    3.25
ASSIGN SELE ATOM MIT2   10 H58           END -
       SELE ATOM MIT2   10 H%M2          END -
 KMIN    12.00 RMIN    3.93 KMAX    12.00 RMAX    4.38
ASSIGN SELE ATOM MIT2   10 H58           END -
       SELE ATOM MIT2   10 H38           END -
 KMIN    15.00 RMIN    3.09 KMAX    15.00 RMAX    3.54
ASSIGN SELE ATOM MIT2   10 H62           END -
       SELE ATOM MIT2   10 H58           END -
 KMIN    15.00 RMIN    1.86 KMAX    15.00 RMAX    2.31
ASSIGN SELE ATOM MIT2   10 H69           END -
       SELE ATOM MIT2   10 H66           END -
 KMIN    15.00 RMIN    2.32 KMAX    15.00 RMAX    2.77
ASSIGN SELE ATOM MIT2   10 H71           END -
       SELE ATOM MIT2   10 H66           END -
 KMIN    12.00 RMIN    3.61 KMAX    12.00 RMAX    4.06
ASSIGN SELE ATOM MIT2   10 H71           END -
       SELE ATOM MIT2   10 H69           END -
 KMIN    15.00 RMIN    2.60 KMAX    15.00 RMAX    3.05
ASSIGN SELE ATOM MIT2   10 H72           END -
       SELE ATOM MIT2   10 H69           END -
 KMIN    15.00 RMIN    3.03 KMAX    15.00 RMAX    3.48
ASSIGN SELE ATOM MIT2   10 H75           END -
       SELE ATOM MIT2   10 H69           END -
 KMIN    15.00 RMIN    2.90 KMAX    15.00 RMAX    3.35
ASSIGN SELE ATOM MIT2   10 H%M4          END -
       SELE ATOM MIT2   10 H66           END -
 KMIN    15.00 RMIN    2.93 KMAX    15.00 RMAX    3.38
ASSIGN SELE ATOM MIT2   10 H%M4          END -
       SELE ATOM MIT2   10 H69           END -
 KMIN    12.00 RMIN    3.85 KMAX    12.00 RMAX    4.30
ASSIGN SELE ATOM MIT2   10 H91           END -
       SELE ATOM MIT2   10 H88           END -
 KMIN    15.00 RMIN    3.04 KMAX    15.00 RMAX    3.49
ASSIGN SELE ATOM MIT2   10 H94           END -
       SELE ATOM MIT2    9 H58           END -
 KMIN    15.00 RMIN    3.02 KMAX    15.00 RMAX    3.47
ASSIGN SELE ATOM MIT2   10 H%M5          END -
       SELE ATOM MIT2    9 H55           END -
 KMIN    15.00 RMIN    3.28 KMAX    15.00 RMAX    3.73
ASSIGN SELE ATOM MIT2   10 H%M5          END -
       SELE ATOM MIT2    9 H58           END -
 KMIN    15.00 RMIN    3.21 KMAX    15.00 RMAX    3.66
ASSIGN SELE ATOM MIT2   10 0H10          END -
       SELE ATOM MIT2    9 H55           END -
 KMIN    15.00 RMIN    2.86 KMAX    15.00 RMAX    3.31
ASSIGN SELE ATOM MIT2   10 0H10          END -
       SELE ATOM MIT2   10 H88           END -
 KMIN    12.00 RMIN    3.49 KMAX    12.00 RMAX    3.94
ASSIGN SELE ATOM MIT2   10 4H10          END -
       SELE ATOM MIT2    9 H%M3          END -
 KMIN    15.00 RMIN    2.85 KMAX    15.00 RMAX    3.31
ASSIGN SELE ATOM MIT2   10 7H10          END -
       SELE ATOM MIT2    9 H28           END -
 KMIN    12.00 RMIN    4.00 KMAX    12.00 RMAX    4.45
ASSIGN SELE ATOM MIT2   10 7H10          END -
       SELE ATOM MIT2    9 H%M3          END -
 KMIN    15.00 RMIN    2.77 KMAX    15.00 RMAX    3.22
ASSIGN SELE ATOM MIT2   10 7H10          END -
       SELE ATOM MIT2    9 H55           END -
 KMIN    15.00 RMIN    3.29 KMAX    15.00 RMAX    3.69 
ASSIGN SELE ATOM MIT2   10 7H10          END -
       SELE ATOM MIT2   10 0H10          END -
 KMIN    15.00 RMIN    2.40 KMAX    15.00 RMAX    2.85
ASSIGN SELE ATOM MIT2   10 7H10          END -
       SELE ATOM MIT2   10 4H10          END -
 KMIN    15.00 RMIN    2.69 KMAX    15.00 RMAX    3.14
ASSIGN SELE ATOM MIT2   10 0H11          END -
       SELE ATOM MIT2    9 H28           END -
 KMIN    15.00 RMIN    2.61 KMAX    15.00 RMAX    3.06
ASSIGN SELE ATOM MIT2   10 H011          END -
       SELE ATOM MIT2    9 H%M3          END -
 KMIN    15.00 RMIN    2.84 KMAX    15.00 RMAX    3.24 
ASSIGN SELE ATOM MIT2   10 0H11          END -
       SELE ATOM MIT2   10 7H10          END -
 KMIN    15.00 RMIN    2.24 KMAX    15.00 RMAX    2.69
ASSIGN SELE ATOM MIT2   10  7H11          END -
       SELE ATOM MIT2   10 H83           END -
 KMIN    15.00 RMIN    2.21 KMAX    15.00 RMAX    2.66
ASSIGN SELE ATOM MIT2   10 7H11          END -
       SELE ATOM MIT2   10 7H10          END -
 KMIN    15.00 RMIN    2.99 KMAX    15.00 RMAX    3.44
ASSIGN SELE ATOM MIT2   10 7H11          END -
       SELE ATOM MIT2   10 0H11          END -
 KMIN    15.00 RMIN    2.34 KMAX    15.00 RMAX    2.79
ASSIGN SELE ATOM MIT2   10 H%M7          END -
       SELE ATOM MIT1    2 H%M3          END -
 KMIN    12.00 RMIN    4.74 KMAX    12.00 RMAX    5.19
ASSIGN SELE ATOM MIT2   10 H%M7          END -
       SELE ATOM B       5 H4*           END -
 KMIN    12.00 RMIN    4.34 KMAX    12.00 RMAX    4.79
ASSIGN SELE ATOM MIT2   10 H%M7          END -
       SELE ATOM B       5 H1*           END -
 KMIN    12.00 RMIN    3.56 KMAX    12.00 RMAX    4.02
ASSIGN SELE ATOM MIT2   10 H%M7          END -
       SELE ATOM B       6 H1*           END -
 KMIN    15.00 RMIN    2.94 KMAX    15.00 RMAX    3.70
ASSIGN SELE ATOM MIT2   10 6H12          END -
       SELE ATOM MIT2    9 H%M3          END -
 KMIN    15.00 RMIN    3.04 KMAX    15.00 RMAX    3.49
ASSIGN SELE ATOM MIT2   10 H%M9          END -
       SELE ATOM MIT2   10 H64           END -
 KMIN    12.00 RMIN    4.00 KMAX    12.00 RMAX    4.45
ASSIGN SELE ATOM MIT2   10 H%M9          END -
       SELE ATOM MIT2   10 H66           END -
 KMIN    15.00 RMIN    2.72 KMAX    15.00 RMAX    3.17
ASSIGN SELE ATOM MIT2   10 H%M9          END -
       SELE ATOM MIT2   10 3H14          END -
 KMIN    15.00 RMIN    2.31 KMAX    15.00 RMAX    2.76
ASSIGN SELE ATOM MIT1    1 H66           END -
       SELE ATOM MIT1    1 2H13          END -
 KMIN    12.00 RMIN    4.50 KMAX    12.00 RMAX    20.00
ASSIGN SELE ATOM MIT1    2 H66           END -
       SELE ATOM MIT1    2 2H13          END -
 KMIN    12.00 RMIN    4.50 KMAX    12.00 RMAX    20.00
ASSIGN SELE ATOM MIT2   9 H66           END -
       SELE ATOM MIT2   9 2H13          END -
 KMIN    12.00 RMIN    4.50 KMAX    12.00 RMAX    20.00
ASSIGN SELE ATOM MIT2   10 H66           END -
       SELE ATOM MIT2   10 2H13          END -
 KMIN    12.00 RMIN    4.50 KMAX    12.00 RMAX    20.00
ASSIGN SELE ATOM MIT1    1 H66           END -
       SELE ATOM MIT1    1 6H13          END -
 KMIN    12.00 RMIN    4.50 KMAX    12.00 RMAX    20.00
ASSIGN SELE ATOM MIT1    2 H66           END -
       SELE ATOM MIT1    2 6H13          END -
 KMIN    12.00 RMIN    4.50 KMAX    12.00 RMAX    20.00
ASSIGN SELE ATOM MIT2    9 H66           END -
       SELE ATOM MIT2    9 6H13          END -
 KMIN    12.00 RMIN    4.50 KMAX    12.00 RMAX    20.00
ASSIGN SELE ATOM MIT2   10 H66           END -
       SELE ATOM MIT2   10 6H13           END -
 KMIN    12.00 RMIN    4.50 KMAX    12.00 RMAX    20.00
ASSIGN SELE ATOM MIT1    1 H64           END -
       SELE ATOM MIT1    1 2H13          END -
 KMIN    15.00 RMIN    2.50 KMAX    15.00 RMAX    3.50
ASSIGN SELE ATOM MIT1    2 H64           END -
       SELE ATOM MIT1    2 2H13          END -
 KMIN    15.00 RMIN    2.50 KMAX    15.00 RMAX    3.50
ASSIGN SELE ATOM MIT2    9 H64           END -
       SELE ATOM MIT2    9 2H13          END -
 KMIN    15.00 RMIN    2.50 KMAX    15.00 RMAX    3.50
ASSIGN SELE ATOM MIT2   10 H64           END -
       SELE ATOM MIT2   10 2H13          END -
 KMIN    15.00 RMIN    2.50 KMAX    15.00 RMAX    3.50
ASSIGN SELE ATOM B       2 O2            END -
       SELE ATOM MIT2    9 MG2           END -
 KMIN    25.00 RMIN    4.00 KMAX    25.00 RMAX    4.40
ASSIGN SELE ATOM B       3 O2            END -
       SELE ATOM MIT2    9 MG2           END -
 KMIN    25.00 RMIN    4.00 KMAX    25.00 RMAX    4.40
ASSIGN SELE ATOM A       6 N2            END -
       SELE ATOM MIT2    9 MG2           END -
 KMIN    25.00 RMIN    4.00 KMAX    25.00 RMAX    4.40
ASSIGN SELE ATOM A       7 N2            END -
       SELE ATOM MIT2    9 MG2           END -
 KMIN    25.00 RMIN    4.00 KMAX    25.00 RMAX    4.40
ASSIGN SELE ATOM A       2 O2            END -
       SELE ATOM MIT1    1 MG1           END -
 KMIN    25.00 RMIN    4.00 KMAX    25.00 RMAX    4.40
ASSIGN SELE ATOM A       3 O2            END -
       SELE ATOM MIT1    1 MG1           END -
 KMIN    25.00 RMIN    4.00 KMAX    25.00 RMAX    4.40
ASSIGN SELE ATOM B       6 N2            END -
       SELE ATOM MIT1    1 MG1           END -
 KMIN    25.00 RMIN    4.00 KMAX    25.00 RMAX    4.40
ASSIGN SELE ATOM B       7 N2            END -
       SELE ATOM MIT1    1 MG1           END -
 KMIN    25.00 RMIN    4.00 KMAX    25.00 RMAX    4.40
ASSIGN SELE ATOM MIT1    1 0H10        END -                  
       SELE ATOM MIT1    1 4H10        END -
 KMIN    15.00 RMIN     2.00 KMAX    15.00 RMAX        2.50
ASSIGN SELE ATOM MIT1    2 0H10        END -
       SELE ATOM MIT1    2 4H10        END - 
 KMIN    15.00 RMIN     2.00 KMAX    15.00 RMAX        2.50
ASSIGN SELE ATOM MIT2    10 0H10        END -
       SELE ATOM MIT2    10 4H10        END -  
 KMIN    15.00 RMIN     2.00 KMAX    15.00 RMAX        2.50
ASSIGN SELE ATOM MIT2     9 0H10        END -
       SELE ATOM MIT2     9 4H10        END -
 KMIN    15.00 RMIN     2.00 KMAX    15.00 RMAX        2.50
ASSIGN SELE ATOM MIT1     1 H94         END -
       SELE ATOM MIT1     1 H88         END -
 KMIN    15.00 RMIN     2.00 KMAX    15.00 RMAX        3.00
ASSIGN SELE ATOM MIT1     2 H94         END -
       SELE ATOM MIT1     2 H88         END - 
 KMIN    15.00 RMIN     2.00 KMAX    15.00 RMAX        3.00
ASSIGN SELE ATOM MIT2    10 H94         END -
       SELE ATOM MIT2    10 H88         END -  
 KMIN    15.00 RMIN     2.00 KMAX    15.00 RMAX        3.00
ASSIGN SELE ATOM MIT2     9 H94         END -
       SELE ATOM MIT2     9 H88         END -
 KMIN    15.00 RMIN     2.00 KMAX    15.00 RMAX        3.00
ASSIGN SELE ATOM MIT1     1 4H10         END -
       SELE ATOM MIT1     1 H%M5         END -
 KMIN    15.00 RMIN     3.50 KMAX    12.00 RMAX        4.50
ASSIGN SELE ATOM MIT1     2 4H10         END -             
       SELE ATOM MIT1     2 H%M5         END -
 KMIN    15.00 RMIN     3.50 KMAX    12.00 RMAX      4.50
ASSIGN SELE ATOM MIT2    10 4H10         END -             
       SELE ATOM MIT2    10 H%M5         END -
 KMIN    15.00 RMIN     3.50 KMAX    12.00 RMAX      4.50
ASSIGN SELE ATOM MIT2     9 4H10         END -
       SELE ATOM MIT2     9 H%M5         END -
 KMIN    15.00 RMIN     3.50 KMAX    12.00 RMAX      4.50
ASSIGN SELE ATOM MIT1     2 H%M3         END -
       SELE ATOM B        5 H22          END -
 KMIN    15.00 RMIN     3.00 KMAX    12.00 RMAX      4.50
ASSIGN SELE ATOM MIT2     9 H%M3         END -
       SELE ATOM A        5 H22          END -
 KMIN    15.00 RMIN     3.00 KMAX    12.00 RMAX      4.50
ASSIGN SELE ATOM MIT1     1 5H14          END -
       SELE ATOM A        3 H1*           END -
 KMIN    15.00 RMIN     2.50 KMAX    12.00 RMAX      4.50
ASSIGN SELE ATOM B        3 H1*          END -             
       SELE ATOM MIT2    10 H%M3         END -
 KMIN    12.00 RMIN     4.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B        6 H1*          END -               
       SELE ATOM MIT1     1 H%M6         END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B        5 H1*          END -                  
       SELE ATOM MIT2    10 7H11         END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A        6 H1*          END -             
       SELE ATOM MIT2    10 H%M6         END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A        5 H1*           END -       
       SELE ATOM MIT1     1 7H11         END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A        3 H1*          END -
       SELE ATOM MIT1     1 H%M3         END -
 KMIN    12.00 RMIN     4.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B        4 H6           END -             
       SELE ATOM B        3 H2*          END -
 KMIN    12.00 RMIN     2.50 KMAX    12.00 RMAX      4.00
ASSIGN SELE ATOM MIT1     2 H%M3         END -             
       SELE ATOM B        5 H1*          END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM MIT2     9 H%M3         END -
       SELE ATOM A        5 H1*          END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM MIT1     1 7H10         END -             
       SELE ATOM MIT1     2 H38          END -
 KMIN    12.00 RMIN     4.00 KMAX    12.00 RMAX      6.00
ASSIGN SELE ATOM MIT1     1 H38          END -
       SELE ATOM MIT1     2 7H10         END -
 KMIN    12.00 RMIN     4.00 KMAX    12.00 RMAX      6.00
ASSIGN SELE ATOM MIT2     9 7H10         END -
       SELE ATOM MIT2    10 H38          END -
 KMIN    12.00 RMIN     4.00 KMAX    12.00 RMAX      6.00
ASSIGN SELE ATOM MIT2     9 H38          END -
       SELE ATOM MIT2    10 7H10         END -
 KMIN    12.00 RMIN     4.00 KMAX    12.00 RMAX      6.00
!
! Backbone Constraints H2*/2** - H5*/H5** n, n-1
!
ASSIGN SELE ATOM B        1 1H2*          END -
       SELE ATOM B        2 1H5*          END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B        1 2H2*         END -
       SELE ATOM B        2 1H5*          END -
 KMIN    12.00 RMIN    3.50 KMAX     12.00 RMAX     20.00
ASSIGN SELE ATOM B        1 1H2*          END -
       SELE ATOM B        2 2H5*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B        1 2H2*         END -
       SELE ATOM B        2 2H5*         END -
 KMIN    12.00 RMIN     2.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B        2 1H2*          END -
       SELE ATOM B        3 2H5*          END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B        2 2H2*         END -
       SELE ATOM B        3 1H5*          END -
 KMIN    12.00 RMIN    3.50 KMAX     12.00 RMAX     20.00
ASSIGN SELE ATOM B        2 1H2*          END -
       SELE ATOM B        3 2H5*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B        2 2H2*         END -
       SELE ATOM B        3 2H5*         END -
 KMIN    12.00 RMIN     2.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B        3 1H2*          END -
       SELE ATOM B        4 1H5*          END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B        3 2H2*         END -
       SELE ATOM B        4 1H5*          END -
 KMIN    12.00 RMIN    3.50 KMAX     12.00 RMAX     20.00
ASSIGN SELE ATOM B        3 1H2*          END -
       SELE ATOM B        4 2H5*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B        3 2H2*         END -
       SELE ATOM B        4 2H5*         END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B        4 1H2*          END -
       SELE ATOM B        5 1H5*          END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B        4 2H2*         END -
       SELE ATOM B        5 1H5*          END -
 KMIN    12.00 RMIN    3.50 KMAX     12.00 RMAX     20.00
ASSIGN SELE ATOM B        4 1H2*          END -
       SELE ATOM B        5 1H5**         END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B        4 2H2*         END -
       SELE ATOM B        5 2H5*         END -
 KMIN    12.00 RMIN     2.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B        5 1H2*          END -
       SELE ATOM B        6 1H5*          END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B        5 2H2*         END -
       SELE ATOM B        6 1H5*          END -
 KMIN    12.00 RMIN    3.50 KMAX     12.00 RMAX     20.00
ASSIGN SELE ATOM B        5 1H2*          END -
       SELE ATOM B        6 2H5*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B        5 2H2*         END -
       SELE ATOM B        6 2H5*         END -
 KMIN    12.00 RMIN     2.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B        6 1H2*          END -
       SELE ATOM B        7 1H5*          END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B        6 2H2*         END -
       SELE ATOM B        7 1H5*          END -
 KMIN    12.00 RMIN     3.50 KMAX     12.00 RMAX     20.00
ASSIGN SELE ATOM B        6 1H2*          END -
       SELE ATOM B        7 2H5*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B        6 2H2*         END -
       SELE ATOM B        7 2H5*         END -
 KMIN    12.00 RMIN     2.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B        7 1H2*          END -
       SELE ATOM B        8 1H5*          END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B        7 2H2*         END -
       SELE ATOM B        8 1H5*          END -
 KMIN    12.00 RMIN    3.50 KMAX     12.00 RMAX     20.00
ASSIGN SELE ATOM B        7 1H2*          END -
       SELE ATOM B        8 2H5*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B        7 2H2*         END -
       SELE ATOM B        8 2H5*         END -
 KMIN    12.00 RMIN     2.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A        1 1H2*          END -             
       SELE ATOM A        2 1H5*          END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A        1 2H2*         END -
       SELE ATOM A        2 1H5*          END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A        1 1H2*          END -             
       SELE ATOM A        2 2H5*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A        1 2H2*         END -
       SELE ATOM A        2 2H5*         END -
 KMIN    12.00 RMIN     2.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A        2 1H2*          END -
       SELE ATOM A        3 1H5*          END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A        2 2H2*         END -
       SELE ATOM A        3 1H5*          END -
 KMIN    12.00 RMIN     3.50 KMAX     12.00 RMAX     20.00
ASSIGN SELE ATOM A        2 1H2*          END -
       SELE ATOM A        3 2H5*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A        2 2H2*         END -
       SELE ATOM A        3 2H5*         END -
 KMIN    12.00 RMIN     2.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A        3 1H2*          END -             
       SELE ATOM A        4 1H5*          END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A        3 2H2*         END -
       SELE ATOM A        4 1H5*          END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A        3 1H2*          END -             
       SELE ATOM A        4 2H5*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A        3 2H2*         END -
       SELE ATOM A        4 2H5*         END -
 KMIN    12.00 RMIN     2.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A        4 1H2*          END -             
       SELE ATOM A        5 1H5*          END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A        4 2H2*         END -
       SELE ATOM A        5 1H5*          END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A        4 1H2*          END -             
       SELE ATOM A        5 2H5*         END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A        4 2H2*         END -
       SELE ATOM A        5 2H5*         END -
 KMIN    12.00 RMIN     2.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A        5 1H2*          END -
       SELE ATOM A        6 1H5*          END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A        5 2H2*         END -
       SELE ATOM A        6 1H5*          END -
 KMIN    12.00 RMIN    3.50 KMAX     12.00 RMAX     20.00
ASSIGN SELE ATOM A        5 1H2*          END -
       SELE ATOM A        6 2H5*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A        5 2H2*         END -
       SELE ATOM A        6 2H5*         END -
 KMIN    12.00 RMIN     2.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A        6 1H2*          END -             
       SELE ATOM A        7 1H5*          END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A        6 2H2*         END -
       SELE ATOM A        7 1H5*          END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A        6 1H2*          END -             
       SELE ATOM A        7 2H5*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A        6 2H2*         END -
       SELE ATOM A        7 2H5*         END -
 KMIN    12.00 RMIN     2.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A        5 1H2*          END -
       SELE ATOM A        6 1H5*          END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A        7 2H2*         END -
       SELE ATOM A        8 1H5*          END -
 KMIN    12.00 RMIN    3.50 KMAX     12.00 RMAX     20.00
ASSIGN SELE ATOM A        7 1H2*          END -
       SELE ATOM A        8 2H5*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A        7 2H2*         END -
       SELE ATOM A        8 2H5*         END -
 KMIN    12.00 RMIN     2.00 KMAX    12.00 RMAX     20.00
!
! DNA H1 - H2, H42 A    and B   
!
ASSIGN SELE ATOM A     1 H2           END -             
       SELE ATOM B     7 H1           END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX      20.00
ASSIGN SELE ATOM B     6 H1           END -
       SELE ATOM B     7 H1           END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX      20.00
ASSIGN SELE ATOM B     5 H1           END -             
       SELE ATOM B     6 H1           END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX       5.00
ASSIGN SELE ATOM A     7 H1           END -
       SELE ATOM B     1 H2          END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX      20.00
ASSIGN SELE ATOM A     6 H1           END -
       SELE ATOM A     7 H1           END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX      20.00
ASSIGN SELE ATOM A     5 H1           END -
       SELE ATOM A     6 H1           END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX       5.00
ASSIGN SELE ATOM A     5 H1           END -             
       SELE ATOM B     3 H42          END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX       4.50
ASSIGN SELE ATOM A     3 H42          END -
       SELE ATOM B     5 H1           END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX       4.50
ASSIGN SELE ATOM A     6 H1           END -             
       SELE ATOM B     4 H42          END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX       5.00
ASSIGN SELE ATOM A     4 H42          END -
       SELE ATOM B     6 H1           END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX       5.00
!
!  H2* - H5* / H5** 
!
ASSIGN SELE ATOM A     1 1H2*          END -             
       SELE ATOM A     1 1H5*          END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A     1 1H2*          END -
       SELE ATOM A     1 2H5*         END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A     2 1H2*          END -
       SELE ATOM A     2 1H5*          END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A     2 1H2*          END -
       SELE ATOM A     2 2H5*         END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A     4 1H2*          END -
       SELE ATOM A     4 1H5*          END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A     4 1H2*          END -
       SELE ATOM A     4 2H5*         END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A     5 1H2*          END -
       SELE ATOM A     5 1H5*          END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A     5 1H2*          END -
       SELE ATOM A     5 2H5*         END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A     8 1H2*         END -
       SELE ATOM A     8 1H5*         END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A     8 1H2*         END -
       SELE ATOM A     8 2H5*        END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B     1 1H2*         END -             
       SELE ATOM B     1 1H5*         END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B     1 1H2*         END -
       SELE ATOM B     1 2H5*        END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B     2 1H2*         END -
       SELE ATOM B     2 1H5*         END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B     2 1H2*         END -
       SELE ATOM B     2 2H5*        END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B     4 1H2*         END -
       SELE ATOM B     4 1H5*         END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B     4 1H2*         END -
       SELE ATOM B     4 2H5*        END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B     5 1H2*         END -
       SELE ATOM B     5 1H5*         END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B     5 1H2*         END -
       SELE ATOM B     5 2H5*        END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B     8 1H2*         END -
       SELE ATOM B     8 1H5*         END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B     8 1H2*         END -
       SELE ATOM B     8 2H5*        END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
!
!  H2** - H5*, H5** 
!
ASSIGN SELE ATOM A     1 2H2*         END -             
       SELE ATOM A     1 1H5*          END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A     1 2H2*         END -
       SELE ATOM A     1 2H5*         END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A     2 2H2*         END -
       SELE ATOM A     2 1H5*          END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A     2 2H2*         END -
       SELE ATOM A     2 2H5*         END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A     4 2H2*         END -
       SELE ATOM A     4 1H5*          END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A     4 2H2*         END -
       SELE ATOM A     4 2H5*         END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A     5 2H2*         END -
       SELE ATOM A     5 1H5*          END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A     5 2H2*         END -
       SELE ATOM A     5 2H5*         END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A     8 2H2*        END -
       SELE ATOM A     8 1H5*         END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM A     8 2H2*        END -
       SELE ATOM A     8 2H5*        END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B     1 2H2*        END -             
       SELE ATOM B     1 1H5*         END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B     1 2H2*        END -
       SELE ATOM B     1 2H5*        END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B     2 2H2*        END -
       SELE ATOM B     2 1H5*         END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B     2 2H2*        END -
       SELE ATOM B     2 2H5*        END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B     4 2H2*        END -
       SELE ATOM B     4 1H5*         END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B     4 2H2*        END -
       SELE ATOM B     4 2H5*        END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B     5 1H2*        END -
       SELE ATOM B     5 1H5*         END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B     5 2H2*        END -
       SELE ATOM B     5 2H5*        END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B     8 2H2*        END -
       SELE ATOM B     8 1H5*         END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM B     8 2H2*        END -
       SELE ATOM B     8 2H5*        END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     20.00
!
! Backbone H5* - P         
!
ASSIGN SELE ATOM A      2 1H5*         END -
       SELE ATOM A      2 P           END -
 KMIN    15.00 RMIN     2.65 KMAX    15.00 RMAX     3.40
ASSIGN SELE ATOM A      3 1H5*         END -
       SELE ATOM A      3 P           END -
 KMIN    15.00 RMIN     2.65 KMAX    15.00 RMAX     3.40
ASSIGN SELE ATOM A      4 1H5*         END -
       SELE ATOM A      4 P           END -
 KMIN    15.00 RMIN     2.65 KMAX    15.00 RMAX     3.40
ASSIGN SELE ATOM A      5 1H5*         END -
       SELE ATOM A      5 P           END -
 KMIN    15.00 RMIN     2.65 KMAX    15.00 RMAX     3.40
ASSIGN SELE ATOM A      6 1H5*         END -
       SELE ATOM A      6 P           END -
 KMIN    15.00 RMIN     2.65 KMAX    15.00 RMAX     3.40
ASSIGN SELE ATOM A      7 1H5*         END -
       SELE ATOM A      7 P           END -
 KMIN    15.00 RMIN     2.65 KMAX    15.00 RMAX     3.40
ASSIGN SELE ATOM A      8 1H5*         END -
       SELE ATOM A      8 P           END -
 KMIN    15.00 RMIN     2.65 KMAX    15.00 RMAX     3.40
ASSIGN SELE ATOM B      2 1H5*         END -
       SELE ATOM B      2 P           END -
 KMIN    15.00 RMIN     2.65 KMAX    15.00 RMAX     3.40
ASSIGN SELE ATOM B      3 1H5*         END -
       SELE ATOM B      3 P           END -
 KMIN    15.00 RMIN     2.65 KMAX    15.00 RMAX     3.40
ASSIGN SELE ATOM B      4 1H5*         END -
       SELE ATOM B      4 P           END -
 KMIN    15.00 RMIN     2.65 KMAX    15.00 RMAX     3.40
ASSIGN SELE ATOM B      5 1H5*         END -
       SELE ATOM B      5 P           END -
 KMIN    15.00 RMIN     2.65 KMAX    15.00 RMAX     3.40
ASSIGN SELE ATOM B      6 1H5*         END -
       SELE ATOM B      6 P           END -
 KMIN    15.00 RMIN     2.65 KMAX    15.00 RMAX     3.40
ASSIGN SELE ATOM B      7 1H5*         END -
       SELE ATOM B      7 P           END -
 KMIN    15.00 RMIN     2.65 KMAX    15.00 RMAX     3.40
ASSIGN SELE ATOM B      8 1H5*         END -
       SELE ATOM B      8 P           END -
 KMIN    15.00 RMIN     2.65 KMAX    15.00 RMAX     3.40
!
! Backbone H5** - P      
!
ASSIGN SELE ATOM A      2 2H5*        END -
       SELE ATOM A      2 P           END -
 KMIN    15.00 RMIN     2.65 KMAX    15.00 RMAX     3.40
ASSIGN SELE ATOM A      3 2H5*        END -
       SELE ATOM A      3 P           END -
 KMIN    15.00 RMIN     2.65 KMAX    15.00 RMAX     3.40
ASSIGN SELE ATOM A      4 2H5*        END -
       SELE ATOM A      4 P           END -
 KMIN    15.00 RMIN     2.65 KMAX    15.00 RMAX     3.40
ASSIGN SELE ATOM A      5 2H5*        END -
       SELE ATOM A      5 P           END -
 KMIN    15.00 RMIN     2.65 KMAX    15.00 RMAX     3.40
ASSIGN SELE ATOM A      6 2H5*        END -
       SELE ATOM A      6 P           END -
 KMIN    15.00 RMIN     2.65 KMAX    15.00 RMAX     3.40
ASSIGN SELE ATOM A      7 2H5*        END -
       SELE ATOM A      7 P           END -
 KMIN    15.00 RMIN     2.65 KMAX    15.00 RMAX     3.40
ASSIGN SELE ATOM A      8 2H5*        END -
       SELE ATOM A      8 P           END -
 KMIN    15.00 RMIN     2.65 KMAX    15.00 RMAX     3.40
ASSIGN SELE ATOM B      2 2H5*        END -
       SELE ATOM B      2 P           END -
 KMIN    15.00 RMIN     2.65 KMAX    15.00 RMAX     3.40
ASSIGN SELE ATOM B      3 2H5*        END -
       SELE ATOM B      3 P           END -
 KMIN    15.00 RMIN     2.65 KMAX    15.00 RMAX     3.40
ASSIGN SELE ATOM B      4 2H5*        END -
       SELE ATOM B      4 P           END -
 KMIN    15.00 RMIN     2.65 KMAX    15.00 RMAX     3.40
ASSIGN SELE ATOM B      5 2H5*        END -
       SELE ATOM B      5 P           END -
 KMIN    15.00 RMIN     2.65 KMAX    15.00 RMAX     3.40
ASSIGN SELE ATOM B      6 2H5*        END -
       SELE ATOM B      6 P           END -
 KMIN    15.00 RMIN     2.65 KMAX    15.00 RMAX     3.40
ASSIGN SELE ATOM B      7 2H5*        END -
       SELE ATOM B      7 P           END -
 KMIN    15.00 RMIN     2.65 KMAX   15.00 RMAX     3.40
ASSIGN SELE ATOM B      8 2H5*        END -
       SELE ATOM B      8 P           END -
 KMIN    15.00 RMIN     2.65 KMAX    15.00 RMAX     3.40
!
! Backbone H3* - H5**
!
ASSIGN SELE ATOM B     4 H3*         END -              
       SELE ATOM B     5 2H5*        END -
 KMIN    12.00 RMIN     4.00 KMAX    9.00 RMAX    20.00
!
! Backbone H4*- H5*/H5**
!
ASSIGN SELE ATOM A     1 H4*         END -             
       SELE ATOM A     1 1H5*         END -
 KMIN    15.00 RMIN     2.28 KMAX    15.00 RMAX     2.70
ASSIGN SELE ATOM A     1 H4*         END -
       SELE ATOM A     1 2H5*        END -
 KMIN    15.00 RMIN     2.28 KMAX    15.00 RMAX     2.70
ASSIGN SELE ATOM A     2 H4*         END -
       SELE ATOM A     2 1H5*         END -
 KMIN    15.00 RMIN     2.28 KMAX    15.00 RMAX     2.70
ASSIGN SELE ATOM A     2 H4*         END -
       SELE ATOM A     2 2H5*        END -
 KMIN    15.00 RMIN     2.28 KMAX    15.00 RMAX     2.70
ASSIGN SELE ATOM A     4 H4*         END -
       SELE ATOM A     4 1H5*         END -
 KMIN    15.00 RMIN     2.28 KMAX     15.00 RMAX     2.70
ASSIGN SELE ATOM A     4 H4*         END -
       SELE ATOM A     4 2H5*        END -
 KMIN    15.00 RMIN     2.28 KMAX    15.00 RMAX     2.70
ASSIGN SELE ATOM A     5 H4*         END -
       SELE ATOM A     5 1H5*         END -
 KMIN    15.00 RMIN     2.28 KMAX    15.00 RMAX     2.70
ASSIGN SELE ATOM A     5 H4*         END -
       SELE ATOM A     5 2H5*        END -
 KMIN    15.00 RMIN     2.28 KMAX    15.00 RMAX     2.70
ASSIGN SELE ATOM A     8 H4*         END -
       SELE ATOM A     8 1H5*         END -
 KMIN    15.00 RMIN     2.28 KMAX    15.00 RMAX     2.70
ASSIGN SELE ATOM A     8 H4*         END -
       SELE ATOM A     8 2H5*        END -
 KMIN    15.00 RMIN     2.28 KMAX    15.00 RMAX     2.70
ASSIGN SELE ATOM B     1 H4*         END -             
       SELE ATOM B     1 1H5*         END -
 KMIN    15.00 RMIN     2.28 KMAX    15.00 RMAX     2.70
ASSIGN SELE ATOM B     1 H4*         END -
       SELE ATOM B     1 2H5*        END -
 KMIN    15.00 RMIN     2.28 KMAX    15.00 RMAX     2.70
ASSIGN SELE ATOM B     2 H4*         END -
       SELE ATOM B     2 1H5*         END -
 KMIN    15.00 RMIN     2.28 KMAX    15.00 RMAX     2.70
ASSIGN SELE ATOM B     2 H4*         END -
       SELE ATOM B     2 2H5*        END -
 KMIN    15.00 RMIN     2.28 KMAX    15.00 RMAX     2.70
ASSIGN SELE ATOM B     4 H4*         END -
       SELE ATOM B     4 1H5*         END -
 KMIN    15.00 RMIN     2.28 KMAX    15.00 RMAX     2.70
ASSIGN SELE ATOM B     4 H4*         END -
       SELE ATOM B     4 2H5*        END -
 KMIN    15.00 RMIN     2.28 KMAX    15.00 RMAX     2.70
ASSIGN SELE ATOM B     5 H4*         END -
       SELE ATOM B     5 1H5*         END -
 KMIN    15.00 RMIN     2.28 KMAX    15.00 RMAX     2.70
ASSIGN SELE ATOM B     5 H4*         END -
       SELE ATOM B     5 2H5*        END -
 KMIN    15.00 RMIN     2.28 KMAX    15.00 RMAX     2.70
ASSIGN SELE ATOM B     8 H4*         END -
       SELE ATOM B     8 1H5*         END -
 KMIN    15.00 RMIN     2.28 KMAX    15.00 RMAX     2.70
ASSIGN SELE ATOM B     8 H4*         END -
       SELE ATOM B     8 2H5*        END -
 KMIN    15.00 RMIN     2.28 KMAX    15.00 RMAX     2.70
!
! Backbone H3* - P
!
ASSIGN SELE ATOM A      1 H3*         END -
       SELE ATOM A      2 P           END -
 KMIN    30.00 RMIN     2.80 KMAX    30.00 RMAX     3.10
ASSIGN SELE ATOM A      2 H3*         END -
       SELE ATOM A      3 P           END -
 KMIN    30.00 RMIN     2.80 KMAX    30.00 RMAX     3.10
ASSIGN SELE ATOM A      3 H3*         END -
       SELE ATOM A      4 P           END -
 KMIN    30.00 RMIN     2.80 KMAX    30.00 RMAX     3.10
ASSIGN SELE ATOM A      4 H3*         END -
       SELE ATOM A      5 P           END -
 KMIN    30.00 RMIN     2.80 KMAX    30.00 RMAX     3.10
ASSIGN SELE ATOM A      5 H3*         END -
       SELE ATOM A      6 P           END -
 KMIN    30.00 RMIN     2.80 KMAX    30.00 RMAX     3.10
ASSIGN SELE ATOM A      6 H3*         END -
       SELE ATOM A      7 P           END -
 KMIN    30.00 RMIN     2.80 KMAX    30.00 RMAX     3.10
ASSIGN SELE ATOM A      7 H3*         END -
       SELE ATOM A      8 P           END -
 KMIN    30.00 RMIN     2.80 KMAX    30.00 RMAX     3.10
ASSIGN SELE ATOM B      1 H3*         END -
       SELE ATOM B      2 P           END -
 KMIN    30.00 RMIN     2.80 KMAX    30.00 RMAX     3.10
ASSIGN SELE ATOM B      2 H3*         END -
       SELE ATOM B      3 P           END -
 KMIN    30.00 RMIN     2.80 KMAX    30.00 RMAX     3.10
ASSIGN SELE ATOM B      3 H3*         END -
       SELE ATOM B      4 P           END -
 KMIN    30.00 RMIN     2.80 KMAX    30.00 RMAX     3.10
ASSIGN SELE ATOM B      4 H3*         END -
       SELE ATOM B      5 P           END -
 KMIN    30.00 RMIN     2.80 KMAX    30.00 RMAX     3.10
ASSIGN SELE ATOM B      5 H3*         END -
       SELE ATOM B      6 P           END -
 KMIN    30.00 RMIN     2.80 KMAX    30.00 RMAX     3.10
ASSIGN SELE ATOM B      6 H3*         END -
       SELE ATOM B      7 P           END -
 KMIN    30.00 RMIN     2.80 KMAX    30.00 RMAX     3.10
ASSIGN SELE ATOM B      7 H3*         END -
       SELE ATOM B      8 P           END -
 KMIN    30.00 RMIN     2.80 KMAX    30.00 RMAX     3.10
!
! Backbone H6/H8 - H5*/H5** n, n+1
!
ASSIGN SELE ATOM A      1 1H5*         END -
       SELE ATOM A      1 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      1 2H5*        END -
       SELE ATOM A      1 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      2 1H5*         END -
       SELE ATOM A      1 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      2 2H5*        END -
       SELE ATOM A      1 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      2 1H5*         END -
       SELE ATOM A      2 H6          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      2 2H5*        END -
       SELE ATOM A      2 H6          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      3 1H5*         END -
       SELE ATOM A      2 H6          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      3 2H5*        END -
       SELE ATOM A      2 H6          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      3 1H5*         END -
       SELE ATOM A      3 H6          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      3 2H5*        END -
       SELE ATOM A      3 H6          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      4 1H5*         END -
       SELE ATOM A      3 H6          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      4 1H5*        END -
       SELE ATOM A      3 H6          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      4 1H5*         END -
       SELE ATOM A      4 H6          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      4 2H5*        END -
       SELE ATOM A      4 H6          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      5 1H5*         END -
       SELE ATOM A      4 H6          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      5 2H5*        END -
       SELE ATOM A      4 H6          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      5 1H5*         END -
       SELE ATOM A      5 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      5 2H5*        END -
       SELE ATOM A      5 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      6 1H5*         END -
       SELE ATOM A      5 H8           END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      6 2H5*        END -
       SELE ATOM A      5 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      6 1H5*         END -
       SELE ATOM A      6 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      6 2H5*        END -
       SELE ATOM A      6 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      7 1H5*         END -
       SELE ATOM A      6 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      7 2H5*        END -
       SELE ATOM A      6 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      7 1H5*         END -
       SELE ATOM A      7 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      7 2H5*        END -
       SELE ATOM A      7 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      8 1H5*         END -
       SELE ATOM A      7 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      8 2H5*        END -
       SELE ATOM A      7 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      8 1H5*         END -
       SELE ATOM A      8 H6          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      8 2H5*        END -
       SELE ATOM A      8 H6          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      1 1H5*         END -
       SELE ATOM B      1 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      1 2H5*        END -
       SELE ATOM B      1 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      2 1H5*         END -
       SELE ATOM B      1 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      2 2H5*        END -
       SELE ATOM B      1 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      2 1H5*         END -
       SELE ATOM B      2 H6          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      2 2H5*        END -
       SELE ATOM B      2 H6          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      3 1H5*         END -
       SELE ATOM B      2 H6          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      3 2H5*        END -
       SELE ATOM B      2 H6          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      3 1H5*         END -
       SELE ATOM B      3 H6          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      3 2H5*        END -
       SELE ATOM B      3 H6          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      4 1H5*         END -
       SELE ATOM B      3 H6          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      4 2H5*        END -
       SELE ATOM B      3 H6          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      4 1H5*         END -
       SELE ATOM B      4 H6          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      4 2H5*        END -
       SELE ATOM B      4 H6          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      5 1H5*         END -
       SELE ATOM B      4 H6          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      5 2H5*        END -
       SELE ATOM B      4 H6          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      5 1H5*         END -
       SELE ATOM B      5 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      5 2H5*        END -
       SELE ATOM B      5 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      6 1H5*         END -
       SELE ATOM B      5 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      6 2H5*        END -
       SELE ATOM B      5 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      6 1H5*         END -
       SELE ATOM B      6 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      6 2H5*        END -
       SELE ATOM B      6 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      7 1H5*         END -
       SELE ATOM B      6 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      7 2H5*        END -
       SELE ATOM B      6 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      7 1H5*         END -
       SELE ATOM B      7 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      7 2H5*        END -
       SELE ATOM B      7 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      8 1H5*         END -
       SELE ATOM B      7 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      8 2H5*        END -
       SELE ATOM B      7 H8          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      8 1H5*         END -
       SELE ATOM B      8 H6          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      8 2H5*        END -
       SELE ATOM B      8 H6          END -
 KMIN    12.00 RMIN     3.40 KMAX    12.00 RMAX     20.0
!
! Backbone H1*- H5*/H5** n, n+1
!
ASSIGN SELE ATOM A      1 1H5*         END -
       SELE ATOM A      1 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      1 2H5*        END -
       SELE ATOM A      1 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      2 1H5*         END -
       SELE ATOM A      1 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      2 2H5*        END -
       SELE ATOM A      1 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      2 1H5*         END -
       SELE ATOM A      2 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      2 2H5*        END -
       SELE ATOM A      2 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      3 1H5*         END -
       SELE ATOM A      2 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      3 2H5*        END -
       SELE ATOM A      2 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      3 1H5*         END -
       SELE ATOM A      3 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      3 2H5*        END -
       SELE ATOM A      3 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      4 1H5*         END -
       SELE ATOM A      3 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      4 2H5*        END -
       SELE ATOM A      3 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      4 1H5*         END -
       SELE ATOM A      4 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      4 2H5*        END -
       SELE ATOM A      4 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      5 1H5*         END -
       SELE ATOM A      4 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      5 2H5*        END -
       SELE ATOM A      4 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      5 1H5*         END -
       SELE ATOM A      5 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      5 2H5*        END -
       SELE ATOM A      5 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      6 1H5*         END -
       SELE ATOM A      5 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      6 2H5*        END -
       SELE ATOM A      5 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      6 1H5*         END -
       SELE ATOM A      6 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      6 2H5*        END -
       SELE ATOM A      6 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      7 1H5*         END -
       SELE ATOM A      6 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      7 2H5*        END -
       SELE ATOM A      6 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      7 1H5*         END -
       SELE ATOM A      7 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      7 2H5*        END -
       SELE ATOM A      7 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      8 1H5*         END -
       SELE ATOM A      7 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      8 2H5*        END -
       SELE ATOM A      7 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      8 1H5*         END -
       SELE ATOM A      8 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM A      8 2H5*        END -
       SELE ATOM A      8 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      1 1H5*         END -
       SELE ATOM B      1 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      1 2H5*        END -
       SELE ATOM B      1 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      2 1H5*         END -
       SELE ATOM B      1 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      2 2H5*        END -
       SELE ATOM B      1 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      2 1H5*         END -
       SELE ATOM B      2 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      2 2H5*        END -
       SELE ATOM B      2 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      3 1H5*         END -
       SELE ATOM B      2 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      3 2H5*        END -
       SELE ATOM B      2 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      3 1H5*         END -
       SELE ATOM B      3 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      3 2H5*        END -
       SELE ATOM B      3 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      4 1H5*         END -
       SELE ATOM B      3 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      4 2H5*        END -
       SELE ATOM B      3 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      4 1H5*         END -
       SELE ATOM B      4 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      4 2H5*        END -
       SELE ATOM B      4 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      5 1H5*         END -
       SELE ATOM B      4 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      5 2H5*        END -
       SELE ATOM B      4 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      5 1H5*         END -
       SELE ATOM B      5 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      5 2H5*        END -
       SELE ATOM B      5 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      6 1H5*         END -
       SELE ATOM B      5 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      6 2H5*        END -
       SELE ATOM B      5 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      6 1H5*         END -
       SELE ATOM B      6 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      6 2H5*        END -
       SELE ATOM B      6 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      7 1H5*         END -
       SELE ATOM B      6 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      7 2H5*        END -
       SELE ATOM B      6 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      7 1H5*         END -
       SELE ATOM B      7 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      7 2H5*        END -
       SELE ATOM B      7 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      8 1H5*         END -
       SELE ATOM B      7 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      8 2H5*        END -
       SELE ATOM B      7 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      8 1H5*         END -
       SELE ATOM B      8 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
ASSIGN SELE ATOM B      8 2H5*        END -
       SELE ATOM B      8 H1*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     20.0
!
! Drug - Magnesium Short Range
!
ASSIGN SELE ATOM MIT1   1 MG1         END -               
       SELE ATOM MIT1   1 O50         END - 
 KMIN    20.00 RMIN     2.00 KMAX    20.00 RMAX     2.20
ASSIGN SELE ATOM MIT1   1 MG1         END -
       SELE ATOM MIT1   2 O50         END -
 KMIN    20.00 RMIN     2.00 KMAX    20.00 RMAX     2.20
ASSIGN SELE ATOM MIT1   1 MG1         END -               
       SELE ATOM MIT1   1 O53         END -             
 KMIN    80.00 RMIN     2.10 KMAX    80.00 RMAX     2.35
ASSIGN SELE ATOM MIT1   1 MG1         END -
       SELE ATOM MIT1   2 O53         END -
 KMIN    80.00 RMIN     2.1 KMAX    80.00 RMAX     2.35
ASSIGN SELE ATOM MIT2   9 MG2         END -               
       SELE ATOM MIT2   9 O50         END -             
  KMIN   20.00 RMIN     2.00 KMAX    20.00 RMAX     2.20
ASSIGN SELE ATOM MIT2   9 MG2         END -
       SELE ATOM MIT2  10 O50         END -
 KMIN    20.00 RMIN     2.00 KMAX    20.00 RMAX     2.20
ASSIGN SELE ATOM MIT2   9 MG2         END -               
       SELE ATOM MIT2   9 O53         END -             
 KMIN    80.00 RMIN     2.10 KMAX    80.00 RMAX     2.35
ASSIGN SELE ATOM MIT2   9 MG2         END -
       SELE ATOM MIT2  10 O53         END -
 KMIN    80.00 RMIN     2.10 KMAX    80.00 RMAX     2.35
!
! Other restraints deduced from the NOESY spectra
!
ASSIGN SELE ATOM MIT1   1 7H10        END -
       SELE ATOM MIT1   1 H%M7        END -
 KMIN    15.00 RMIN     3.70 KMAX    15.00 RMAX     4.10  
ASSIGN SELE ATOM MIT1   1 H%M8        END -               
       SELE ATOM MIT1   1 H66         END -
 KMIN    15.00 RMIN     4.00 KMAX    15.00 RMAX     5.00
ASSIGN SELE ATOM MIT1   1 H66         END -
       SELE ATOM MIT1   1 H75         END -
 KMIN    15.00 RMIN     3.50 KMAX    15.00 RMAX     4.50 
ASSIGN SELE ATOM MIT1   1 H31         END -              
       SELE ATOM MIT1   1 H55         END -
 KMIN    15.00 RMIN     2.50 KMAX    15.00 RMAX     3.50
ASSIGN SELE ATOM MIT1   1 H%M9        END -              
       SELE ATOM MIT1   1 H69         END -
 KMIN    15.00 RMIN     3.50 KMAX    15.00 RMAX     4.50
ASSIGN SELE ATOM MIT1   2 H%M8        END -                
       SELE ATOM MIT1   2 H66         END -
 KMIN    15.00 RMIN     4.00 KMAX    15.00 RMAX     5.00
ASSIGN SELE ATOM MIT1   2 H66         END -
       SELE ATOM MIT1   2 H75         END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     4.50 
ASSIGN SELE ATOM MIT1   2 H31         END -
       SELE ATOM MIT1   2 H55         END -
 KMIN    15.00 RMIN     2.50 KMAX    15.00 RMAX     3.50
ASSIGN SELE ATOM MIT1   2 H%M9        END -
       SELE ATOM MIT1   2 H69         END -
 KMIN    15.00 RMIN     3.50 KMAX    15.00 RMAX     5.00
ASSIGN SELE ATOM MIT1   2 H28         END -
       SELE ATOM MIT1   1 H%M6        END -
 KMIN    15.00 RMIN     3.50 KMAX    15.00 RMAX     4.50 
ASSIGN SELE ATOM MIT1   1 H28         END -
       SELE ATOM MIT1   2 H%M6        END -
 KMIN    15.00 RMIN     3.50 KMAX    15.00 RMAX     4.50  
ASSIGN SELE ATOM MIT1   1 H55         END -                      
       SELE ATOM MIT1   2 H94         END -
 KMIN    15.00 RMIN     2.50 KMAX    15.00 RMAX     4.00
ASSIGN SELE ATOM MIT1   2 H55         END -               
       SELE ATOM MIT1   1 H94         END -
 KMIN    15.00 RMIN     2.50 KMAX    15.00 RMAX     4.00
ASSIGN SELE ATOM MIT1   1 H%M6        END -         
       SELE ATOM A      5 H4*         END -             
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM MIT1   1 H58         END -             
       SELE ATOM A      5 H4*         END -
 KMIN    12.00 RMIN     4.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM MIT1   1 H%M6        END -
       SELE ATOM A      5 H1*         END - 
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM MIT1   1 H%M3        END -
       SELE ATOM A      2 H1*         END -
 KMIN    12.00 RMIN     3.20 KMAX    12.00 RMAX     3.80
ASSIGN SELE ATOM MIT1   1 0H11        END -
       SELE ATOM A      5 H1*         END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM MIT1   1 0H11        END -
       SELE ATOM A      4 H1*         END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX     20.00
ASSIGN SELE ATOM MIT1   2 H58         END -               
       SELE ATOM B      7 H4*         END -             
 KMIN    12.00 RMIN     4.00 KMAX    12.00 RMAX    20.00
ASSIGN SELE ATOM MIT1   2 H88         END -               
       SELE ATOM B      8 H1*         END -             
 KMIN    12.00 RMIN     4.50 KMAX    12.00 RMAX    20.00
ASSIGN SELE ATOM MIT1   2 H%M3        END -               
       SELE ATOM B      6 H1*         END -             
 KMIN    12.00 RMIN     3.20 KMAX    12.00 RMAX     3.80
ASSIGN SELE ATOM MIT1   2 H55         END -
       SELE ATOM B      7 H4*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     4.50
ASSIGN SELE ATOM MIT1   2 5H14        END -              
       SELE ATOM B      7 H1*         END -             
 KMIN    12.00 RMIN     2.50 KMAX    12.00 RMAX     4.00
ASSIGN SELE ATOM MIT1   2 5H14        END -         
       SELE ATOM B      6 H22         END -              
 KMIN    12.00 RMIN     2.00 KMAX    12.00 RMAX     4.50
ASSIGN SELE ATOM MIT1   1 5H14        END -                
       SELE ATOM B      7 H22         END -
 KMIN    12.00 RMIN     2.50 KMAX    12.00 RMAX     4.50
ASSIGN SELE ATOM MIT1   2 H19         END -              
       SELE ATOM MIT1   2 H%M2        END -
 KMIN    15.00 RMIN     5.00 KMAX    12.00 RMAX    10.00
ASSIGN SELE ATOM MIT1   2 H6          END -
       SELE ATOM MIT1   2 H28         END -
 KMIN    15.00 RMIN     4.50 KMAX    12.00 RMAX    10.00
ASSIGN SELE ATOM MIT1   2 H7          END -
       SELE ATOM MIT1   2 H28         END -
 KMIN    15.00 RMIN     4.50 KMAX    12.00 RMAX    10.00
ASSIGN SELE ATOM MIT1   2 3H14        END -
       SELE ATOM MIT1   2 H66         END -
 KMIN    15.00 RMIN     4.00 KMAX    12.00 RMAX    20.00
ASSIGN SELE ATOM MIT1   2 H85         END -
       SELE ATOM MIT1   2 H%M5        END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX    20.00  
ASSIGN SELE ATOM MIT1   2 7H10        END -
       SELE ATOM MIT1   2 H94         END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX    20.00 
ASSIGN SELE ATOM MIT1   2 H64         END -
       SELE ATOM MIT1   2 H%M8        END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX    20.00  
ASSIGN SELE ATOM MIT1   1 H85         END -
       SELE ATOM MIT1   1 H%M5        END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX    20.00  
ASSIGN SELE ATOM MIT1   1 7H10        END -
       SELE ATOM MIT1   1 H94         END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX    20.00 
ASSIGN SELE ATOM MIT1   1 H64         END -
       SELE ATOM MIT1   1 H%M8        END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX    20.00 
ASSIGN SELE ATOM MIT1   1 H19         END -              
       SELE ATOM MIT1   1 H%M2        END -
 KMIN    15.00 RMIN     5.00 KMAX    12.00 RMAX    10.00
ASSIGN SELE ATOM MIT1   1 H6          END -
       SELE ATOM MIT1   1 H28         END -
 KMIN    15.00 RMIN     4.50 KMAX    12.00 RMAX    10.00
ASSIGN SELE ATOM MIT1   1 H7          END -
       SELE ATOM MIT1   1 H28         END -
 KMIN    15.00 RMIN     4.50 KMAX    12.00 RMAX    10.00
ASSIGN SELE ATOM MIT1   1 3H14        END -
       SELE ATOM MIT1   1 H66         END -
 KMIN    15.00 RMIN     4.00 KMAX    12.00 RMAX    20.00
ASSIGN SELE ATOM MIT1   1 0H10        END -              
       SELE ATOM MIT1   2 H%M3        END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX    20.00  
ASSIGN SELE ATOM MIT1   2 0H10        END -
       SELE ATOM MIT1   1 H%M3        END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX    20.00 
ASSIGN SELE ATOM MIT1   1 H%M5        END -              
       SELE ATOM MIT1   2 H%M3        END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX    20.00  
ASSIGN SELE ATOM MIT1   2 H%M5        END -
       SELE ATOM MIT1   1 H%M3        END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX    20.00  
ASSIGN SELE ATOM MIT1   1 H94         END -
       SELE ATOM MIT1   2 H%M3        END -
 KMIN    12.00 RMIN     4.50 KMAX    12.00 RMAX    20.00 
ASSIGN SELE ATOM MIT1   2 H94         END -
       SELE ATOM MIT1   1 H%M3        END -
 KMIN    12.00 RMIN     4.50 KMAX    12.00 RMAX    20.00 
ASSIGN SELE ATOM MIT2   9 H75         END -
       SELE ATOM MIT2   9 H66         END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     4.50  
ASSIGN SELE ATOM MIT2   9 H31         END -
       SELE ATOM MIT2   9 H55         END -
 KMIN    15.00 RMIN     2.50 KMAX    15.00 RMAX     3.50
ASSIGN SELE ATOM MIT2   9 H%M9        END -
       SELE ATOM MIT2   9 H69         END -
 KMIN    15.00 RMIN     3.50 KMAX    12.00 RMAX     5.00
ASSIGN SELE ATOM MIT2   9 7H10        END -               
       SELE ATOM MIT2   9 H%M5        END -
 KMIN    15.00 RMIN     4.50 KMAX    12.00 RMAX     5.00  
ASSIGN SELE ATOM MIT2  10 H28         END -
       SELE ATOM MIT2   9 H%M6        END -
 KMIN    15.00 RMIN     3.50 KMAX    12.00 RMAX     4.50  
ASSIGN SELE ATOM MIT2   9 H28         END -
       SELE ATOM MIT2  10 H%M6        END -
 KMIN    15.00 RMIN     3.50 KMAX    12.00 RMAX     4.50 
ASSIGN SELE ATOM MIT2  10 H55         END -                      
       SELE ATOM MIT2   9 H94         END -
 KMIN    15.00 RMIN     2.50 KMAX    12.00 RMAX     4.00
ASSIGN SELE ATOM MIT2   9 H55         END -               
       SELE ATOM MIT2  10 H94         END -
 KMIN    15.00 RMIN     2.50 KMAX    12.00 RMAX     4.00
ASSIGN SELE ATOM MIT2   9 H%M3        END -           
       SELE ATOM MIT2  10 0H10        END -
 KMIN    12.00 RMIN     5.00 KMAX   12.00 RMAX     20.00  
ASSIGN SELE ATOM MIT2  10 H%M3        END -
       SELE ATOM MIT2   9 0H10         END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX     20.00  
ASSIGN SELE ATOM MIT2   9 H%M5        END -           
       SELE ATOM MIT2  10 H%M3        END -
 KMIN    12.00 RMIN     5.000 KMAX   12.00 RMAX     20.00  
ASSIGN SELE ATOM MIT2  10 H%M3        END -
       SELE ATOM MIT2   9 H94         END -
 KMIN    12.00 RMIN     4.50 KMAX    12.00 RMAX     20.00 
ASSIGN SELE ATOM MIT2  10 H%M5        END -           
       SELE ATOM MIT2   9 H%M3        END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX     20.00 
ASSIGN SELE ATOM MIT2   9 H%M3        END -
       SELE ATOM MIT2  10 H94        END -
 KMIN    15.00 RMIN     4.50 KMAX    12.00 RMAX     20.00 
ASSIGN SELE ATOM MIT2  10 7H10        END -
       SELE ATOM MIT2  10 H%M7        END -
 KMIN    15.00 RMIN     3.70 KMAX    15.00 RMAX     4.10  
ASSIGN SELE ATOM MIT2  10 7H10        END -
       SELE ATOM MIT2  10 H%M5        END -
 KMIN    15.00 RMIN     4.50 KMAX    15.00 RMAX     5.00  
ASSIGN SELE ATOM MIT2  10 H%M8        END -
       SELE ATOM MIT2  10 H66         END -
 KMIN    12.00 RMIN     4.00 KMAX    12.00 RMAX     5.00  
ASSIGN SELE ATOM MIT2  10 H75         END -
       SELE ATOM MIT2  10 H66         END -
 KMIN    12.00 RMIN     3.50 KMAX    12.00 RMAX     4.50  
ASSIGN SELE ATOM MIT2  10 H31         END -              
       SELE ATOM MIT2  10 H55         END -
 KMIN    15.00 RMIN     2.50 KMAX    15.00 RMAX     3.50
ASSIGN SELE ATOM MIT2  10 H%M9        END -
       SELE ATOM MIT2  10 H69         END -
 KMIN    15.00 RMIN     3.50 KMAX    12.00 RMAX     5.00
ASSIGN SELE ATOM MIT2   9 H%M3        END -               
       SELE ATOM A      6 H1*         END -             
 KMIN    12.00 RMIN     3.20 KMAX    12.00 RMAX     3.80
ASSIGN SELE ATOM MIT2   9 H55         END -
       SELE ATOM A      7 H4*         END -
 KMIN    12.00 RMIN     3.00 KMAX    12.00 RMAX     4.50
ASSIGN SELE ATOM MIT2   9 5H14        END -               
       SELE ATOM A      9 H1*         END -               
 KMIN     12.00 RMIN    2.50 KMAX    12.00 RMAX     4.50
ASSIGN SELE ATOM MIT2   9 5H14        END -              
       SELE ATOM A      6 H22         END -               
 KMIN    12.00 RMIN     2.00 KMAX    12.00 RMAX     4.50
ASSIGN SELE ATOM MIT2  10 5H14        END -               
       SELE ATOM A      7 H22         END -
 KMIN    12.00 RMIN     2.50 KMAX    12.00 RMAX     4.50
ASSIGN SELE ATOM MIT2  10 H58         END -               
       SELE ATOM B      3 H4*         END -
 KMIN    12.00 RMIN    4.00 KMAX    12.00 RMAX    20.00
ASSIGN SELE ATOM MIT2   9 H58         END -               
       SELE ATOM A      7 H4*         END -
 KMIN    12.00 RMIN     4.00 KMAX    12.00 RMAX    20.00
ASSIGN SELE ATOM MIT2   9 H88        END -               
       SELE ATOM A      8 H1*         END -
 KMIN    12.00 RMIN     4.50 KMAX    12.00 RMAX    20.00
ASSIGN SELE ATOM MIT2  10 H%M6        END -                
       SELE ATOM B      5 H4*         END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX    20.00
ASSIGN SELE ATOM MIT2  10 H%M6        END -
       SELE ATOM B      5 H1*         END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX    20.00
ASSIGN SELE ATOM MIT2  10 5H14        END -
       SELE ATOM B      3 H1*         END -
 KMIN    12.00 RMIN     2.50 KMAX    12.00 RMAX     4.50
ASSIGN SELE ATOM MIT2  10 H%M3        END -
       SELE ATOM B      2 H1*         END -
 KMIN    12.00 RMIN     3.20 KMAX    12.00 RMAX     3.80
ASSIGN SELE ATOM MIT2  10 0H11        END -
       SELE ATOM B      5 H1*         END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX    20.00
ASSIGN SELE ATOM MIT2  10 0H11        END -
       SELE ATOM B      4 H1*         END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX    20.00
ASSIGN SELE ATOM A      6 H8          END -
       SELE ATOM A      5 H3*         END -
 KMIN    9.00 RMIN     3.50 KMAX    9.00 RMAX     4.50
ASSIGN SELE ATOM A      6 H8          END -
       SELE ATOM A      6 H3*         END -
 KMIN    9.00 RMIN     2.50 KMAX    9.00 RMAX     3.00
ASSIGN SELE ATOM B      6 H8          END -
       SELE ATOM B      5 H3*         END -
 KMIN    9.00 RMIN     3.50 KMAX    9.00 RMAX     4.50
ASSIGN SELE ATOM B      6 H8          END -
       SELE ATOM B      6 H3*         END -
 KMIN    9.00 RMIN     2.50 KMAX    9.00 RMAX     3.00
ASSIGN SELE ATOM MIT2   9 H19         END -              
       SELE ATOM MIT2   9 H%M2        END -
 KMIN    15.00 RMIN     5.00 KMAX    12.00 RMAX    10.00
ASSIGN SELE ATOM MIT2   9 H6          END -
       SELE ATOM MIT2   9 H28         END -
 KMIN    15.00 RMIN     4.50 KMAX    12.00 RMAX    10.00
ASSIGN SELE ATOM MIT2   9 H7          END -
       SELE ATOM MIT2   9 H28         END -
 KMIN    15.00 RMIN     4.50 KMAX    12.00 RMAX    10.00
ASSIGN SELE ATOM MIT2   9 3H14        END -
       SELE ATOM MIT2   9 H66         END -
 KMIN    15.00 RMIN     4.00 KMAX    12.00 RMAX    20.00
ASSIGN SELE ATOM MIT2   9 H85         END -
       SELE ATOM MIT2   9 H%M5        END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX    20.00  
ASSIGN SELE ATOM MIT2   9 7H10        END -
       SELE ATOM MIT2   9 H94         END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX    20.00  
ASSIGN SELE ATOM MIT2   9 H64         END -
       SELE ATOM MIT2   9 H%M8        END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX    20.00  
ASSIGN SELE ATOM MIT2  10 7H10        END -
       SELE ATOM MIT2  10 H94         END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX    20.00  
ASSIGN SELE ATOM MIT2  10 H85         END -
       SELE ATOM MIT2  10 H%M5        END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX    20.00  
ASSIGN SELE ATOM MIT2  10 H64         END -
       SELE ATOM MIT2  10 H%M8        END -
 KMIN    12.00 RMIN     5.00 KMAX    12.00 RMAX    20.00  
ASSIGN SELE ATOM MIT2  10 H19         END -              
       SELE ATOM MIT2  10 H%M2        END -
 KMIN    15.00 RMIN     5.00 KMAX    12.00 RMAX    10.00
ASSIGN SELE ATOM MIT2  10 H6          END -
       SELE ATOM MIT2  10 H28         END -
 KMIN    15.00 RMIN     4.50 KMAX    12.00 RMAX    10.00
ASSIGN SELE ATOM MIT2  10 H7          END -
       SELE ATOM MIT2  10 H28         END -
 KMIN    15.00 RMIN     4.50 KMAX    12.00 RMAX    10.00
ASSIGN SELE ATOM MIT2  10 3H14        END -
       SELE ATOM MIT2  0 H66         END -
 KMIN    15.00 RMIN     4.00 KMAX    12.00 RMAX    20.00
!
! Hydrogen Bonds (Force constants halved for 3-18 & 10-11)
!
ASSIGN SELE ATOM A      1 N1          END -
       SELE ATOM B      8 N3          END -
 KMIN    7.50 RMIN     2.72 KMAX    7.50 RMAX     2.92
ASSIGN SELE ATOM A      1 N6          END -              
       SELE ATOM B      8 O4          END -
 KMIN    7.50 RMIN     2.85 KMAX    7.50 RMAX     3.05
ASSIGN SELE ATOM A      2 O2          END -
       SELE ATOM B      7 N2          END -
 KMIN    15.00 RMIN     2.76 KMAX    15.00 RMAX     2.96
ASSIGN SELE ATOM A      2 N3          END -
       SELE ATOM B      7 N1          END -
 KMIN    15.00 RMIN     2.85 KMAX    15.00 RMAX     3.05
ASSIGN SELE ATOM A      2 N4          END -
       SELE ATOM B      7 O6          END -
 KMIN    15.00 RMIN     2.81 KMAX    15.00 RMAX     3.01
ASSIGN SELE ATOM A      3 O2          END -
       SELE ATOM B      6 N2          END -
 KMIN    15.00 RMIN     2.76 KMAX    15.00 RMAX     2.96
ASSIGN SELE ATOM A      3 N3          END -
       SELE ATOM B      6 N1          END -
 KMIN    15.00 RMIN     2.85 KMAX    15.00 RMAX     3.05
ASSIGN SELE ATOM A      3 N4          END -
       SELE ATOM B      6 O6          END -
 KMIN    15.00 RMIN     2.81 KMAX    15.00 RMAX     3.01
ASSIGN SELE ATOM A      4 O2          END -
       SELE ATOM B      5 N2          END -
 KMIN    15.00 RMIN     2.76 KMAX    15.00 RMAX     2.96
ASSIGN SELE ATOM A      4 N3          END -
       SELE ATOM B      5 N1          END -
 KMIN    15.00 RMIN     2.85 KMAX    15.00 RMAX     3.05
ASSIGN SELE ATOM A      4 N4          END -
       SELE ATOM B      5 O6          END -
 KMIN    15.00 RMIN     2.81 KMAX    15.00 RMAX     3.01
ASSIGN SELE ATOM A      5 N2          END -
       SELE ATOM B      4 O2          END -
 KMIN    15.00 RMIN     2.76 KMAX    15.00 RMAX     2.96
ASSIGN SELE ATOM A      5 N1          END -
       SELE ATOM B      4 N3          END -
 KMIN    15.00 RMIN     2.85 KMAX    15.00 RMAX     3.05
ASSIGN SELE ATOM A      5 O6          END -
       SELE ATOM B      4 N4          END -
 KMIN    15.00 RMIN     2.81 KMAX    15.00 RMAX     3.01
ASSIGN SELE ATOM A      6 N2          END -
       SELE ATOM B      3 O2          END -
 KMIN    15.00 RMIN     2.76 KMAX    15.00 RMAX     2.96
ASSIGN SELE ATOM A      6 N1          END -
       SELE ATOM B      3 N3          END -
 KMIN    15.00 RMIN     2.85 KMAX    15.00 RMAX     3.05
ASSIGN SELE ATOM A      6 O6          END -
       SELE ATOM B      3 N4          END -
 KMIN    15.00 RMIN     2.81 KMAX    15.00 RMAX     3.01
ASSIGN SELE ATOM A      7 N2          END -
       SELE ATOM B      2 O2          END -
 KMIN    15.00 RMIN     2.76 KMAX    15.00 RMAX     2.96
ASSIGN SELE ATOM A      7 N1          END -
       SELE ATOM B      2 N3          END -
 KMIN    15.00 RMIN     2.85 KMAX    15.00 RMAX     3.05
ASSIGN SELE ATOM A      7 O6          END -
       SELE ATOM B      2 N4          END -
 KMIN    15.00 RMIN     2.81 KMAX    15.00 RMAX     3.01
ASSIGN SELE ATOM A      8 N3          END -
       SELE ATOM B      1 N1          END -
 KMIN    7.50 RMIN      2.72 KMAX    7.50 RMAX     2.92
ASSIGN SELE ATOM A      8 O4          END -
       SELE ATOM B      1 N6          END -
 KMIN    7.50 RMIN      2.85 KMAX    7.50 RMAX     3.05
SCALE     2.000
END

CONS CLDH
CONS DIHE A     1 C4*        A      1 C3*        - 
A      1 O3*          A     2 P             -
FORCE    5.000 MIN    172.000
CONS DIHE A     1 C3*        A      1 O3*        -
A      2 P            A     2 O5*           -
FORCE    5.000 MIN    280.000
CONS DIHE A     1 O3*        A      2 P          -
A      2 O5*          A     2 C5*           -
FORCE    5.000 MIN    260.000
CONS DIHE A     2 P          A      2 O5*        -
A      2 C5*          A     2 C4*           -
FORCE    5.000 MIN    195.000
CONS DIHE A     2 O5*        A      2 C5*        -
A      2 C4*          A     2 C3*           -
FORCE    5.000 MIN     55.000
CONS DIHE A     2 C4*        A      2 C3*        -
A      2 O3*          A     3 P             -
FORCE    5.000 MIN    172.000
CONS DIHE A     2 C3*        A      2 O3*        -
A      3 P            A     3 O5*           -
FORCE    5.000 MIN    280.000
CONS DIHE A     2 O3*        A      3 P          -
A      3 O5*          A     3 C5*           -
FORCE    5.000 MIN    260.000
CONS DIHE A     3 P          A      3 O5*        -
A      3 C5*          A     3 C4*           -
FORCE    5.000 MIN    195.000
CONS DIHE A     3 O5*        A      3 C5*        -
A      3 C4*          A     3 C3*           -
FORCE    5.000 MIN      55.000
CONS DIHE A     3 C4*         A    3 C3*         -
A    3 O3*            A    4 P             -
FORCE    5.000 MIN    172.000
CONS DIHE A     3 C3*         A    3 O3*         -
A    4 P              A    4 O5*           -
FORCE    5.000 MIN    280.000
CONS DIHE A     3 O3*        A      4 P          -
A      4 O5*          A     4 C5*           -
FORCE    5.000 MIN   260.000
CONS DIHE A     4 P          A      4 O5*        -
A      4 C5*          A     4 C4*           -
FORCE    5.000 MIN   195.000
CONS DIHE A     4 O5*        A      4 C5*        -
A      4 C4*          A     4  C3*          -
FORCE    5.000 MIN    55.000
CONS DIHE A     4 C4*        A      4 C3*        -
A      4 O3*          A     5 P             -
FORCE    5.000 MIN   172.000
CONS DIHE A     4 C3*        A      4 O3*        -
A      5 P            A     5 O5*           -
FORCE    5.000 MIN   280.000
CONS DIHE A     4 O3*        A      5 P          -
A      5 O5*          A     5 C5*           -
FORCE    5.000 MIN   260.000
CONS DIHE A     5 P          A      5 O5*        -
A      5 C5*          A     5 C4*           -
FORCE    5.000 MIN   195.000
CONS DIHE A     5 O5*        A      5 C5*        -
A      5 C4*          A     5 C3*           -
FORCE    5.000 MIN    55.000
CONS DIHE A     5 C4*        A      5 C3*        -
A      6 O3*          A     6 P             -
FORCE    5.000 MIN   172.000
CONS DIHE A     5 C3*        A      5 O3*        -
A      6 P            A     6  O5*          -
FORCE    5.000 MIN   280.000
CONS DIHE A     5 O3*        A      6 P          -
A      6 O5*          A     6 C5*           -
FORCE    5.000 MIN   260.000
CONS DIHE A     6 P          A      6 O5*        -
A      6 C5*          A     6 C4*           -
FORCE    5.000 MIN   195.000
CONS DIHE A     6  O5*       A      6 C5*        -
A      6 C4*          A     6 C3*           -
FORCE    5.000 MIN    55.000
CONS DIHE A     6 C4*        A      6 C3*        -
A      6 O3*          A     7 P             -
FORCE    5.000 MIN   172.000
CONS DIHE A     6 C3*        A      6 O3*        -
A      7 P            A     7 O5*           -
FORCE    5.000 MIN   280.000
CONS DIHE A     6 O3*        A      7 P          -
A      7 O5*          A     7 C5*           -
FORCE    5.000 MIN   260.000
CONS DIHE A     7 P          A      7 O5*        -
A      7 C5*          A     7 C4*           -
FORCE    5.000 MIN   195.000
CONS DIHE A     7 O5*        A      7 C5*        -
A      7 C4*          A     7 C3*           -
FORCE    5.000 MIN    55.000
CONS DIHE A     7 C4*        A      7 C3*        -
A      8 O3*          A    8 P             -
FORCE    5.000 MIN   172.000
CONS DIHE A     7 C3*        A      7 O3*        -
A     8 P            A    8 O5*           -
FORCE    5.000 MIN   280.000
CONS DIHE A     7  O3*       A     8 P          -
A     8 O5*          A    8 C5*           -
FORCE    5.000 MIN   260.000
CONS DIHE A    8 P          A     8 O5*        - 
A     8 C5*          A    8 C4*           -
FORCE    5.000 MIN   195.000
CONS DIHE A    8 O5*        A     8 C5*        - 
A     8 C4*          A    8 C3*           -
FORCE    5.000 MIN    55.000
CONS DIHE B    1 C4*        B     1 C3*        -
B     1 O3*          B   2 P             -
FORCE    5.000 MIN   172.000
CONS DIHE B    1 C3*        B     1 O3*        -
B     2 P            B    2 O5*           -
FORCE    5.000 MIN   280.000
CONS DIHE B    1 O3*        B     2 P          -
B     2 O5*          B    2 C5*           -
FORCE    5.000 MIN   260.000
CONS DIHE B    2 P          B     2 O5*        -
B     2 C5*          B    2 C4*           -
FORCE    5.000 MIN   195.000
CONS DIHE B    2 O5*        B     2 C5*        -
B     2 C4*          B    2 C3*           -
FORCE    5.000 MIN    55.000
CONS DIHE B    2 C4*        B     2 C3*        -
B     2 O3*          B    3 P             -
FORCE    5.000 MIN   172.000
CONS DIHE B    2 C3*        B     2 O3*        -
B     3 P            B    3 O5*           -
FORCE    5.000 MIN   280.000
CONS DIHE B    2 O3*        B     3 P          -
B     3 O5*          B    3 C5*           -
FORCE    5.000 MIN   260.000
CONS DIHE B    3 P          B     3 O5*        -
B     3 C5*          B    3 C4*           -
FORCE    5.000 MIN   195.000
CONS DIHE B    3 O5*        B     3 C5*        -
B     3 C4*          B    3 C3*           -
FORCE    5.000 MIN    55.000
CONS DIHE B    3 C4*        B    3 C3*         -
B    3 O3*           B    4 P             -
FORCE    5.000 MIN    172.000
CONS DIHE B    3 C3*        B    3 O3*         -
B    4 P             B    4 O5*           -
FORCE    5.000 MIN    280.000 
CONS DIHE B    3 O3*        B     4 P          -
B     4 O5*          B    4 C5*           -
FORCE    5.000 MIN    260.000
CONS DIHE B    4 P          B     4 O5*        -
B     4 C5*          B    4 C4*           -
FORCE    5.000 MIN   195.000
CONS DIHE B    4 O5*        B     4 C5*        -
B     4 C4*          B    4 C3*           -
FORCE    5.000 MIN    55.000
CONS DIHE B    4 C4*      B    4 C3*           -
B    4 O3*           B    5 P             -
FORCE    5.000 MIN    172.000
CONS DIHE B    4 C3*      B    4 O3*           -
B    5 P             B    5 O5*           -
FORCE    5.000 MIN    280.000
CONS DIHE B    4 O3*        B     5 P          -
B     5 O5*          B    5 C5*           -
FORCE    5.000 MIN   260.000
CONS DIHE B    5 P          B     5 O5*        -
B     5 C5*          B    5 C4*           -
FORCE     5.000 MIN   195.000
CONS DIHE B    5 O5*        B     5 C5*        -
B     5 C4*          B   5 C3*           -
FORCE     5.000 MIN    55.000
CONS DIHE B    5 C4*        B     5 C3*        -
B     5 O3*          B    6 P             -
FORCE     5.000 MIN   172.000
CONS DIHE B    5 C3*        B     5 O3*        -
B     6 P            B    6  O5*          -
FORCE     5.000 MIN   280.000
CONS DIHE B    5 O3*        B     6 P          -
B     6 O5*          B    6 C5*           -
FORCE     5.000 MIN   260.000
CONS DIHE B    6 P          B     6 O5*        -
B     6 C5*          B    6 C4*           -
FORCE     5.000 MIN   195.000
CONS DIHE B    6  O5*       B     6 C5*        -
B     6 C4*          B    6 C3*           -
FORCE     5.000 MIN    55.000
CONS DIHE B    6 C4*        B     6 C3*        -
B     6 O3*          B    7 P             -
FORCE     5.000 MIN   172.000
CONS DIHE B    6 C3*        B     6 O3*        -
B     7 P            B    7 O5*           -
FORCE     5.000 MIN   280.000
CONS DIHE B    6 O3*        B     7 P          -
B     7 O5*          B    7 C5*           -
FORCE     5.000 MIN   260.000
CONS DIHE B    7 P          B     7 O5*        -
B     7 C5*          B    7 C4*           -
FORCE     5.000 MIN   195.000
CONS DIHE B    7 O5*        B     7 C5*        -
B     7 C4*          B    7 C3*           -
FORCE     5.000 MIN    55.000
CONS DIHE B    7 C4*        B     7 C3*        -
B     7 O3*          B    8 P             -
FORCE     5.000 MIN   172.000
CONS DIHE B    7 C3*        B     7 O3*        -
B     8 P            B    8 O5*           -
FORCE     5.000 MIN   280.000
CONS DIHE B    7  O3*       B     8 P          -
B     8 O5*          B    8 C5*           -
FORCE     5.000 MIN   260.000
CONS DIHE B    8 P          B     8 O5*        - 
B     8 C5*          B    8 C4*           -
FORCE     5.000 MIN   195.000
CONS DIHE B    8 O5*        B     8 C5*        -
B     8 C4*          B    8 C3*           -
FORCE     5.000 MIN    55.000
! Dihedral constraints for MG binding site 
CONS DIHE MIT1 1 C49            MIT1 1 O50           -
MIT1 1 MG1            MIT1 2 O50           -
FORCE     5.000 MIN   215.000
CONS DIHE MIT1 2 C49            MIT1 2 O50           -
MIT1 1 MG1            MIT1 1 O50           -
FORCE     5.000 MIN   145.000
CONS DIHE MIT2 9 C49           MIT2 9 O50          -
MIT2 9 MG2           MIT2 10 O50           -
FORCE     5.000 MIN   215.000
CONS DIHE MIT2 10 C49           MIT2 10 O50          -
MIT2 9 MG2           MIT2 9 O50           -
FORCE     5.000 MIN   145.000


  Entry H atom name         Submitted Coord H atom name
    1   1H5*    A   1          2H5*        A   1  -3.479  -0.483  -1.872
    2   2H5*    A   1          1H5*        A   1  -4.246  -0.009  -1.857
    3    H4*    A   1           H4*        A   1  -5.428  -1.969  -1.183
    4    H3*    A   1           H3*        A   1  -4.971  -0.105   1.241
    5    H1*    A   1           H1*        A   1  -4.574  -3.943   1.319
    6    H8     A   1           H8         A   1  -2.202  -0.927   1.345
    7   1H6     A   1          1H6         A   1  -0.986  -1.277   6.208
    8   2H6     A   1          2H6         A   1  -0.472  -2.812   6.712
    9    H2     A   1           H2         A   1  -4.707  -4.762   5.681
   10   1H2*    A   1          1H2*        A   1  -5.471  -1.785   2.572
   11   2H2*    A   1          2H2*        A   1  -6.404  -2.706   1.377
   12    H5T    A   1           H5T        A   1  -3.482   0.451  -1.107
   13   1H5*    C   2          1H5*        C   2  -9.056  -1.899   2.261
   14   2H5*    C   2          2H5*        C   2  -9.690  -0.450   2.918
   15    H4*    C   2           H4*        C   2  -9.378  -2.249   4.620
   16    H3*    C   2           H3*        C   2  -8.037   0.397   5.034
   17    H1*    C   2           H1*        C   2  -7.003  -2.620   6.766
   18   1H4     C   2          1H4         C   2  -1.836   1.073   5.292
   19   2H4     C   2          2H4         C   2  -1.593   0.676   6.972
   20    H5     C   2           H5         C   2  -3.889   0.719   4.146
   21    H6     C   2           H6         C   2  -5.971  -0.308   4.230
   22   1H2*    C   2          1H2*        C   2  -7.948  -0.310   7.280
   23   2H2*    C   2          2H2*        C   2  -8.883  -1.770   6.965
   24   1H5*    C   3          1H5*        C   3 -11.286  -0.738   8.096
   25   2H5*    C   3          2H5*        C   3 -11.427   0.543   9.173
   26    H4*    C   3           H4*        C   3 -10.169  -1.466  10.144
   27    H3*    C   3           H3*        C   3  -9.162   1.461  10.383
   28    H1*    C   3           H1*        C   3  -6.816  -1.179  10.894
   29   1H4     C   3          1H4         C   3  -4.288   3.352   6.962
   30   2H4     C   3          2H4         C   3  -3.058   2.792   8.107
   31    H5     C   3           H5         C   3  -6.607   2.360   7.115
   32    H6     C   3           H6         C   3  -7.985   1.047   8.659
   33   1H2*    C   3          1H2*        C   3  -7.697   0.680  12.077
   34   2H2*    C   3          2H2*        C   3  -8.527  -0.876  12.059
   35   1H5*    C   4          1H5*        C   4  -8.965  -0.090  15.190
   36   2H5*    C   4          2H5*        C   4 -10.093   1.194  15.583
   37    H4*    C   4           H4*        C   4  -7.786   1.523  16.603
   38    H3*    C   4           H3*        C   4  -8.847   3.554  14.618
   39    H1*    C   4           H1*        C   4  -5.302   2.877  15.499
   40   1H4     C   4          1H4         C   4  -5.481   4.815   9.192
   41   2H4     C   4          2H4         C   4  -3.891   5.174   9.886
   42    H5     C   4           H5         C   4  -7.052   3.320  10.490
   43    H6     C   4           H6         C   4  -7.416   2.445  12.686
   44   1H2*    C   4          1H2*        C   4  -7.093   4.766  14.663
   45   2H2*    C   4          2H2*        C   4  -6.612   4.132  16.258
   46   1H5*    G   5          1H5*        G   5  -7.105   4.193  19.171
   47   2H5*    G   5          2H5*        G   5  -7.770   5.692  19.715
   48    H4*    G   5           H4*        G   5  -5.088   5.634  19.637
   49    H3*    G   5           H3*        G   5  -6.984   7.707  19.057
   50    H1*    G   5           H1*        G   5  -3.583   7.111  17.523
   51    H8     G   5           H8         G   5  -6.685   6.647  15.944
   52    H1     G   5           H1         G   5  -2.071   8.156  11.736
   53   1H2     G   5          1H2         G   5  -0.238   8.485  12.886
   54   2H2     G   5          2H2         G   5  -0.274   7.949  14.551
   55   1H2*    G   5          1H2*        G   5  -6.202   8.475  17.195
   56   2H2*    G   5          2H2*        G   5  -4.762   8.868  17.973
   57   1H5*    G   6          1H5*        G   6  -2.531   8.813  20.430
   58   2H5*    G   6          2H5*        G   6  -2.483  10.456  21.041
   59    H4*    G   6           H4*        G   6  -0.780   9.933  19.170
   60    H3*    G   6           H3*        G   6  -2.709  12.241  18.890
   61    H1*    G   6           H1*        G   6  -1.182  10.419  16.186
   62    H8     G   6           H8         G   6  -4.668  10.553  17.050
   63    H1     G   6           H1         G   6  -3.198  11.382  10.884
   64   1H2     G   6          1H2         G   6  -1.179  12.160  10.782
   65   2H2     G   6          2H2         G   6  -0.172  11.762  12.164
   66   1H2*    G   6          1H2*        G   6  -1.298  12.937  17.025
   67   2H2*    G   6          2H2*        G   6  -0.179  11.778  17.432
   68   1H5*    G   7          1H5*        G   7   1.131  14.787  18.184
   69   2H5*    G   7          2H5*        G   7   0.502  16.148  19.083
   70    H4*    G   7           H4*        G   7   0.587  16.693  16.625
   71    H3*    G   7           H3*        G   7  -2.133  16.690  18.014
   72    H1*    G   7           H1*        G   7  -1.340  16.265  14.347
   73    H8     G   7           H8         G   7  -2.963  13.918  16.735
   74    H1     G   7           H1         G   7  -5.431  14.438  10.848
   75   1H2     G   7          1H2         G   7  -4.049  15.552   9.666
   76   2H2     G   7          2H2         G   7  -3.326  16.828  10.510
   77   1H2*    G   7          1H2*        G   7  -3.149  17.130  16.218
   78   2H2*    G   7          2H2*        G   7  -1.756  17.883  15.466
   79   1H5*    T   8          1H5*        T   8  -0.198  20.605  15.938
   80   2H5*    T   8          2H5*        T   8  -1.184  21.951  16.399
   81    H4*    T   8           H4*        T   8  -0.916  21.504  13.822
   82    H3*    T   8           H3*        T   8  -3.176  22.228  15.072
   83   1H2*    T   8          1H2*        T   8  -4.538  21.342  14.106
   84   2H2*    T   8          2H2*        T   8  -4.060  22.151  12.832
   85    H1*    T   8           H1*        T   8  -2.879  20.420  12.123
   86    H3     T   8           H3         T   8  -6.661  17.959  11.472
   87   1H5M    T   8          1H5M        T   8  -5.265  16.920  16.308
   88   2H5M    T   8          2H5M        T   8  -5.351  16.367  15.957
   89   3H5M    T   8          3H5M        T   8  -5.865  16.722  16.100
   90    H6     T   8           H6         T   8  -3.512  18.657  14.998
   91    H3T    T   8           H3T        T   8  -2.341  23.281  13.795
   92   1H5*    A   1          1H5*        A   1 -14.587  14.317   5.051
   93   2H5*    A   1          2H5*        A   1 -13.562  13.166   4.848
   94    H4*    A   1           H4*        A   1 -12.897  15.618   4.129
   95    H3*    A   1           H3*        A   1 -10.910  13.662   5.441
   96    H1*    A   1           H1*        A   1 -10.933  17.464   6.100
   97    H8     A   1           H8         A   1 -11.853  14.243   8.019
   98   1H6     A   1          1H6         A   1  -7.950  14.413  11.133
   99   2H6     A   1          2H6         A   1  -7.508  15.897  11.849
  100    H2     A   1           H2         A   1  -6.935  18.165   7.745
  101   1H2*    A   1          1H2*        A   1  -9.430  15.295   5.609
  102   2H2*    A   1          2H2*        A   1 -10.123  16.314   4.354
  103    H5T    A   1           H5T        A   1 -13.999  13.930   6.847
  104   1H5*    C   2          1H5*        C   2  -8.426  15.256   2.115
  105   2H5*    C   2          2H5*        C   2  -7.456  13.882   1.780
  106    H4*    C   2           H4*        C   2  -6.182  15.818   2.789
  107    H3*    C   2           H3*        C   2  -5.933  13.094   4.050
  108    H1*    C   2           H1*        C   2  -5.193  16.190   5.784
  109   1H4     C   2          1H4         C   2  -8.165  12.157   9.921
  110   2H4     C   2          2H4         C   2  -6.736  12.640  10.789
  111    H5     C   2           H5         C   2  -8.571  12.654   7.689
  112    H6     C   2           H6         C   2  -7.783  13.753   5.751
  113   1H2*    C   2          1H2*        C   2  -4.121  13.971   5.074
  114   2H2*    C   2          2H2*        C   2  -4.119  15.474   4.130
  115   1H5*    C   3          1H5*        C   3  -2.061  14.573   2.219
  116   2H5*    C   3          2H5*        C   3  -0.940  13.302   2.338
  117    H4*    C   3           H4*        C   3  -0.656  15.229   4.073
  118    H3*    C   3           H3*        C   3  -0.460  12.218   4.627
  119    H1*    C   3           H1*        C   3  -1.253  14.495   7.334
  120   1H4     C   3          1H4         C   3  -5.880  10.071   8.169
  121   2H4     C   3          2H4         C   3  -5.239  10.578   9.735
  122    H5     C   3           H5         C   3  -5.056  11.163   6.151
  123    H6     C   3           H6         C   3  -2.982  12.423   5.326
  124   1H2*    C   3          1H2*        C   3   0.194  12.621   6.803
  125   2H2*    C   3          2H2*        C   3   0.526  14.254   6.436
  126   1H5*    C   4          1H5*        C   4   3.544  13.440   6.981
  127   2H5*    C   4          2H5*        C   4   4.406  12.160   6.163
  128    H4*    C   4           H4*        C   4   4.300  11.709   8.600
  129    H3*    C   4           H3*        C   4   2.702   9.748   6.878
  130    H1*    C   4           H1*        C   4   2.266  10.452  10.465
  131   1H4     C   4          1H4         C   4  -3.349   8.440   7.666
  132   2H4     C   4          2H4         C   4  -3.391   8.127   9.414
  133    H5     C   4           H5         C   4  -1.518   9.959   6.788
  134    H6     C   4           H6         C   4   0.615  10.848   7.349
  135   1H2*    C   4          1H2*        C   4   2.313   8.518   8.604
  136   2H2*    C   4          2H2*        C   4   3.599   9.327   9.561
  137   1H5*    G   5          1H5*        G   5   6.454   8.982  10.414
  138   2H5*    G   5          2H5*        G   5   7.179   7.600   9.650
  139    H4*    G   5           H4*        G   5   6.315   7.252  12.179
  140    H3*    G   5           H3*        G   5   6.358   5.507   9.915
  141    H1*    G   5           H1*        G   5   3.764   5.586  12.694
  142    H8     G   5           H8         G   5   3.331   6.654   9.338
  143    H1     G   5           H1         G   5  -2.273   5.008  12.005
  144   1H2     G   5          1H2         G   5  -1.916   4.553  14.099
  145   2H2     G   5          2H2         G   5  -0.323   4.901  14.717
  146   1H2*    G   5          1H2*        G   5   4.335   4.728   9.915
  147   2H2*    G   5          2H2*        G   5   4.645   4.079  11.420
  148   1H5*    G   6          1H5*        G   6   6.153   3.991  14.388
  149   2H5*    G   6          2H5*        G   6   6.611   2.313  14.592
  150    H4*    G   6           H4*        G   6   4.310   2.941  15.587
  151    H3*    G   6           H3*        G   6   4.535   0.676  13.609
  152    H1*    G   6           H1*        G   6   1.602   2.687  14.207
  153    H8     G   6           H8         G   6   3.566   2.559  11.239
  154    H1     G   6           H1         G   6  -2.726   1.859  10.430
  155   1H2     G   6          1H2         G   6  -3.553   1.068  12.262
  156   2H2     G   6          2H2         G   6  -2.603   1.393  13.710
  157   1H2*    G   6          1H2*        G   6   2.260   0.107  14.330
  158   2H2*    G   6          2H2*        G   6   2.368   1.250  15.543
  159   1H5*    G   7          1H5*        G   7   2.450  -1.759  16.973
  160   2H5*    G   7          2H5*        G   7   3.398  -3.189  16.680
  161    H4*    G   7           H4*        G   7   1.005  -3.530  15.926
  162    H3*    G   7           H3*        G   7   3.245  -3.775  13.914
  163    H1*    G   7           H1*        G   7  -0.378  -3.028  13.291
  164    H8     G   7           H8         G   7   2.601  -0.812  12.630
  165    H1     G   7           H1         G   7  -2.055  -1.164   8.235
  166   1H2     G   7          1H2         G   7  -3.691  -2.343   9.146
  167   2H2     G   7          2H2         G   7  -2.959  -3.711   9.825
  168   1H2*    G   7          1H2*        G   7   1.881  -4.220  12.373
  169   2H2*    G   7          2H2*        G   7   0.608  -4.853  13.445
  170   1H5*    T   8          1H5*        T   8   0.295  -7.609  14.918
  171   2H5*    T   8          2H5*        T   8   1.120  -8.930  14.175
  172    H4*    T   8           H4*        T   8  -1.244  -8.626  13.208
  173    H3*    T   8           H3*        T   8   0.975  -8.141  11.281
  174   1H2*    T   8          1H2*        T   8  -0.564  -8.217   9.653
  175   2H2*    T   8          2H2*        T   8  -1.825  -8.946  10.678
  176    H1*    T   8           H1*        T   8  -2.380  -6.846  11.146
  177    H3     T   8           H3         T   8  -1.326  -4.653   7.379
  178   1H5M    T   8          1H5M        T   8   2.667  -3.677  10.243
  179   2H5M    T   8          2H5M        T   8   2.739  -3.757  10.032
  180   3H5M    T   8          3H5M        T   8   2.769  -3.894  10.237
  181    H6     T   8           H6         T   8   0.759  -5.612  11.557
  182    H3T    T   8           H3T        T   8   0.815 -10.357  11.658
  183    H1   DDA   1           H19      DDA   1 -11.474  -2.169   5.107
  184   1H2   DDA   1          6H        DDA   1 -13.021  -3.012   2.793
  185   2H2   DDA   1          7H        DDA   1 -11.461  -2.215   2.702
  186    H3   DDA   1           H4       DDA   1 -12.368  -0.220   3.383
  187    H4   DDA   1           H9       DDA   1 -14.938  -1.630   3.984
  188    H5   DDA   1           H12      DDA   1 -12.779  -0.849   5.622
  189   1H6   DDA   1          1HAM      DDA   1 -14.710  -1.092   7.036
  190   2H6   DDA   1          1HBM      DDA   1 -14.829  -1.372   7.044
  191   3H6   DDA   1          1HCM      DDA   1 -14.566  -1.316   7.174
  192    HO3  DDA   1           H1       DDA   1 -13.989  -0.028   1.861
  193    HO4  DDA   1           H20      DDA   1 -14.390   0.704   4.604
  194    H1   DDA   2           H38      DDA   1  -9.938  -4.446   7.952
  195   1H2   DDA   2          5H2       DDA   1  -9.354  -3.655   5.968
  196   2H2   DDA   2          6H2       DDA   1  -9.414  -5.230   5.340
  197    H3   DDA   2           H23      DDA   1 -11.681  -3.812   6.725
  198    H4   DDA   2           H28      DDA   1 -11.146  -6.473   5.704
  199    H5   DDA   2           H31      DDA   1 -11.807  -5.429   8.374
  200   1H6   DDA   2          2HAM      DDA   1 -12.307  -7.857   7.920
  201   2H6   DDA   2          2HBM      DDA   1 -11.865  -7.919   8.207
  202   3H6   DDA   2          2HCM      DDA   1 -12.301  -7.677   8.412
  203    HO4  DDA   2           H39      DDA   1 -13.405  -5.324   5.170
  204    H1   DDA   4           H69      DDA   1  -6.254  -2.191  17.015
  205   1H2   DDA   4          1H7       DDA   1  -6.751   0.007  17.962
  206   2H2   DDA   4          2H7       DDA   1  -7.835  -0.704  19.124
  207    H3   DDA   4           H85      DDA   1  -4.962  -1.484  18.869
  208    H4   DDA   4           H81      DDA   1  -7.071  -2.210  20.897
  209    H5   DDA   4           H75      DDA   1  -5.621  -3.995  18.892
  210   1H6   DDA   4          4HAM      DDA   1  -7.803  -4.630  20.471
  211   2H6   DDA   4          4HBM      DDA   1  -7.754  -5.124  19.476
  212   3H6   DDA   4          4HCM      DDA   1  -6.935  -5.323  20.260
  213    HO4  DDA   4          2H15      DDA   1  -4.648  -2.110  21.409
  214    H1   DDL   5           H88      DDA   1  -3.646  -0.038  19.380
  215   1H2   DDL   5          0H9       DDA   1  -4.306   2.287  19.843
  216   2H2   DDL   5          1H9       DDA   1  -4.145   1.942  21.544
  217    H3   DDL   5          4H10      DDA   1  -2.030   1.730  19.424
  218    H4   DDL   5          0H10      DDA   1  -0.552   0.942  21.180
  219    H5   DDL   5           H94      DDA   1  -1.889  -0.915  20.364
  220   1H6   DDL   5          5HAM      DDA   1  -1.575  -1.938  22.480
  221   2H6   DDL   5          5HBM      DDA   1  -0.988  -1.430  22.572
  222   3H6   DDL   5          5HCM      DDA   1  -1.688  -1.266  22.910
  223    HO4  DDL   5          2H10      DDA   1  -1.443   2.444  22.783
  224    H1   DDB   6          7H10      DDA   1  -0.432   3.311  19.487
  225   1H2   DDB   6          6H12      DDA   1  -2.006   4.981  18.788
  226   2H2   DDB   6          3H8       DDA   1  -1.735   5.825  20.277
  227    HO3  DDB   6          0H12      DDA   1   0.611   5.756  17.296
  228   1H3M  DDB   6          7HAM      DDA   1  -0.856   7.582  18.113
  229   2H3M  DDB   6          7HBM      DDA   1  -0.029   7.856  18.583
  230   3H3M  DDB   6          7HCM      DDA   1  -0.843   7.623  19.100
  231    H4   DDB   6          7H11      DDA   1   0.816   6.441  20.748
  232    HO4  DDB   6          7H12      DDA   1   2.515   6.361  19.332
  233    H5   DDB   6          0H11      DDA   1   1.611   3.782  19.786
  234   1H6   DDB   6          6HAM      DDA   1   2.434   4.524  22.219
  235   2H6   DDB   6          6HBM      DDA   1   2.899   4.056  21.725
  236   3H6   DDB   6          6HCM      DDA   1   2.918   4.875  21.645
  237    H1   DDA   1           H19      DDA   2   6.001   1.905  18.143
  238   1H2   DDA   1          6H        DDA   2   7.239   3.693  19.988
  239   2H2   DDA   1          7H        DDA   2   5.984   4.129  18.905
  240    H3   DDA   1           H4       DDA   2   7.308   3.925  17.065
  241    H4   DDA   1           H9       DDA   2   9.506   2.946  18.831
  242    H5   DDA   1           H12      DDA   2   7.669   1.681  17.120
  243   1H6   DDA   1          1HAM      DDA   2   8.843  -0.148  17.696
  244   2H6   DDA   1          1HBM      DDA   2   9.629   0.349  17.171
  245   3H6   DDA   1          1HCM      DDA   2   9.640   0.243  18.218
  246    HO3  DDA   1           H1       DDA   2   8.212   5.526  17.882
  247    HO4  DDA   1           H20      DDA   2   9.628   3.707  16.471
  248    H1   DDA   2           H38      DDA   2   2.487  -0.072  18.645
  249   1H2   DDA   2          5H2       DDA   2   3.849   1.596  17.953
  250   2H2   DDA   2          6H2       DDA   2   3.346   2.495  19.353
  251    H3   DDA   2           H23      DDA   2   5.040  -0.019  19.345
  252    H4   DDA   2           H28      DDA   2   3.528   1.404  21.405
  253    H5   DDA   2           H31      DDA   2   2.905  -1.238  20.330
  254   1H6   DDA   2          2HAM      DDA   2   2.116  -0.896  22.598
  255   2H6   DDA   2          2HBM      DDA   2   1.939  -0.666  22.579
  256   3H6   DDA   2          2HCM      DDA   2   1.884  -0.910  22.421
  257    HO4  DDA   2           H39      DDA   2   5.772   0.647  21.975
  258    H1   DDA   4           H69      DDA   2  -4.662  -6.038  14.245
  259   1H2   DDA   4          1H7       DDA   2  -3.781  -8.009  13.016
  260   2H2   DDA   4          2H7       DDA   2  -4.119  -9.040  14.360
  261    H3   DDA   4           H85      DDA   2  -6.235  -7.420  13.025
  262    H4   DDA   4           H81      DDA   2  -6.357  -9.590  15.106
  263    H5   DDA   4           H75      DDA   2  -7.114  -6.641  15.315
  264   1H6   DDA   4          4HAM      DDA   2  -6.990  -8.012  17.438
  265   2H6   DDA   4          4HBM      DDA   2  -7.061  -7.766  17.450
  266   3H6   DDA   4          4HCM      DDA   2  -7.242  -7.950  17.394
  267    HO4  DDA   4          2H15      DDA   2  -8.207  -9.127  13.502
  268    H1   DDL   5           H88      DDA   2  -6.669  -7.912  11.132
  269   1H2   DDL   5          0H9       DDA   2  -5.541  -9.481   9.643
  270   2H2   DDL   5          1H9       DDA   2  -6.857 -10.599   9.929
  271    H3   DDL   5          4H10      DDA   2  -7.078  -7.783   8.860
  272    H4   DDL   5          0H10      DDA   2  -9.453  -8.125   8.785
  273    H5   DDL   5           H94      DDA   2  -8.631  -7.436  10.984
  274   1H6   DDL   5          5HAM      DDA   2 -10.724  -8.461  11.700
  275   2H6   DDL   5          5HBM      DDA   2 -10.815  -7.950  11.308
  276   3H6   DDL   5          5HCM      DDA   2 -10.858  -8.574  11.057
  277    HO4  DDL   5          2H10      DDA   2  -9.247 -10.442   8.186
  278    H1   DDB   6          7H10      DDA   2  -6.644  -7.439   6.992
  279   1H2   DDB   6          6H12      DDA   2  -4.868  -9.237   6.846
  280   2H2   DDB   6          3H8       DDA   2  -5.739  -9.806   5.454
  281    HO3  DDB   6          0H12      DDA   2  -3.685  -7.147   6.550
  282   1H3M  DDB   6          7HAM      DDA   2  -3.097  -8.339   4.292
  283   2H3M  DDB   6          7HBM      DDA   2  -3.384  -8.401   3.884
  284   3H3M  DDB   6          7HCM      DDA   2  -3.357  -8.764   4.235
  285    H4   DDB   6          7H11      DDA   2  -6.143  -8.249   3.551
  286    HO4  DDB   6          7H12      DDA   2  -5.027  -5.643   3.509
  287    H5   DDB   6          0H11      DDA   2  -7.282  -6.127   5.314
  288   1H6   DDB   6          6HAM      DDA   2  -8.601  -6.357   3.429
  289   2H6   DDB   6          6HBM      DDA   2  -8.243  -6.544   3.098
  290   3H6   DDB   6          6HCM      DDA   2  -8.576  -6.872   3.343
  291    H1   DDA   1           H19      DDA   9   0.549  10.304  21.704
  292   1H2   DDA   1          6H        DDA   9   1.758   8.612  23.776
  293   2H2   DDA   1          7H        DDA   9   1.167   8.095  22.278
  294    H3   DDA   1           H4       DDA   9  -0.936   8.573  22.772
  295    H4   DDA   1           H9       DDA   9  -0.034   9.764  25.319
  296    H5   DDA   1           H12      DDA   9  -0.907  10.852  22.822
  297   1H6   DDA   1          1HAM      DDA   9  -0.643  12.680  24.342
  298   2H6   DDA   1          1HBM      DDA   9  -1.051  12.679  24.187
  299   3H6   DDA   1          1HCM      DDA   9  -0.940  12.426  24.569
  300    HO3  DDA   1           H1       DDA   9  -0.713   7.141  24.419
  301    HO4  DDA   1           H20      DDA   9  -2.411   9.484  24.439
  302    H1   DDA   2           H38      DDA   9   2.377  12.421  18.784
  303   1H2   DDA   2          5H2       DDA   9   1.356  10.483  19.520
  304   2H2   DDA   2          6H2       DDA   9   2.940   9.799  19.576
  305    H3   DDA   2           H23      DDA   9   1.964  12.149  21.253
  306    H4   DDA   2           H28      DDA   9   4.559  10.895  20.740
  307    H5   DDA   2           H31      DDA   9   3.784  13.582  19.891
  308   1H6   DDA   2          2HAM      DDA   9   6.154  13.211  20.071
  309   2H6   DDA   2          2HBM      DDA   9   6.220  13.008  19.945
  310   3H6   DDA   2          2HCM      DDA   9   6.168  13.212  19.823
  311    HO4  DDA   2           H39      DDA   9   3.965  11.596  23.057
  312    H1   DDA   4           H69      DDA   9   1.114  19.134  11.053
  313   1H2   DDA   4          1H7       DDA   9  -0.431  20.994  11.531
  314   2H2   DDA   4          2H7       DDA   9   0.889  22.081  11.824
  315    H3   DDA   4           H85      DDA   9   0.458  20.695   9.213
  316    H4   DDA   4           H81      DDA   9   2.459  22.795  10.017
  317    H5   DDA   4           H75      DDA   9   2.922  19.892   9.205
  318   1H6   DDA   4          4HAM      DDA   9   4.885  20.887  10.526
  319   2H6   DDA   4          4HBM      DDA   9   4.988  20.786   9.606
  320   3H6   DDA   4          4HCM      DDA   9   4.819  21.596   9.959
  321    HO4  DDA   4          2H15      DDA   9   1.603  22.484   7.695
  322    H1   DDL   5           H88      DDA   9  -1.191  21.324   8.252
  323   1H2   DDL   5          0H9       DDA   9  -2.873  22.973   8.977
  324   2H2   DDL   5          1H9       DDA   9  -2.156  24.073   7.816
  325    H3   DDL   5          4H10      DDA   9  -3.223  21.312   7.292
  326    H4   DDL   5          0H10      DDA   9  -2.578  21.587   5.003
  327    H5   DDL   5           H94      DDA   9  -0.637  20.904   6.336
  328   1H6   DDL   5          5HAM      DDA   9  -0.096  21.759   4.263
  329   2H6   DDL   5          5HBM      DDA   9   0.192  22.304   4.366
  330   3H6   DDL   5          5HCM      DDA   9   0.438  21.748   4.622
  331    HO4  DDL   5          2H10      DDA   9  -3.221  23.898   4.987
  332    H1   DDB   6          7H10      DDA   9  -5.004  20.954   6.670
  333   1H2   DDB   6          6H12      DDA   9  -5.822  22.452   8.611
  334   2H2   DDB   6          3H8       DDA   9  -6.784  23.244   7.408
  335    HO3  DDB   6          0H12      DDA   9  -6.671  20.357   9.378
  336   1H3M  DDB   6          7HAM      DDA   9  -9.093  21.452   9.008
  337   2H3M  DDB   6          7HBM      DDA   9  -9.170  21.965   8.604
  338   3H3M  DDB   6          7HCM      DDA   9  -8.755  22.011   9.124
  339    H4   DDB   6          7H11      DDA   9  -8.446  21.837   6.074
  340    HO4  DDB   6          7H12      DDA   9  -8.887  19.125   6.773
  341    H5   DDB   6          0H11      DDA   9  -6.375  19.788   5.436
  342   1H6   DDB   6          6HAM      DDA   9  -7.832  20.334   3.642
  343   2H6   DDB   6          6HBM      DDA   9  -7.899  20.574   3.663
  344   3H6   DDB   6          6HCM      DDA   9  -7.664  20.522   3.582
  345    H1   DDA   1           H19      DDA   1  -5.350  15.853   0.767
  346   1H2   DDA   1          6H        DDA   1  -7.138  17.442  -0.943
  347   2H2   DDA   1          7H        DDA   1  -7.664  16.168   0.164
  348    H3   DDA   1           H4       DDA   1  -6.600  14.527  -1.042
  349    H4   DDA   1           H9       DDA   1  -5.449  16.626  -2.969
  350    H5   DDA   1           H12      DDA   1  -4.402  15.075  -0.780
  351   2H6   DDA   1          1HBM      DDA   1  -2.670  15.955  -2.415
  352   3H6   DDA   1          1HCM      DDA   1  -2.556  16.597  -1.877
  353    HO3  DDA   1           H1       DDA   1  -8.046  15.118  -2.576
  354    HO4  DDA   1           H20      DDA   1  -5.323  14.469  -3.535
  355    H1   DDA   2           H38      DDA   1  -3.180  17.958   3.878
  356   1H2   DDA   2          5H2       DDA   1  -5.401  17.349   3.803
  357   2H2   DDA   2          6H2       DDA   1  -5.735  18.977   3.500
  358    H3   DDA   2           H23      DDA   1  -3.858  17.363   1.798
  359    H4   DDA   2           H28      DDA   1  -4.798  20.146   2.036
  360    H5   DDA   2           H31      DDA   1  -2.127  18.986   2.266
  361   1H6   DDA   2          2HAM      DDA   1  -1.840  21.266   1.950
  362   2H6   DDA   2          2HBM      DDA   1  -2.285  21.431   1.614
  363   3H6   DDA   2          2HCM      DDA   1  -2.312  21.527   2.194
  364    HO4  DDA   2           H39      DDA   1  -4.256  18.847  -0.346
  365    H1   DDA   4           H69      DDA   1   4.257  15.558  10.175
  366   1H2   DDA   4          1H7       DDA   1   5.358  13.402   9.763
  367   2H2   DDA   4          2H7       DDA   1   6.782  14.217   9.183
  368    H3   DDA   4           H85      DDA   1   5.614  14.763  11.870
  369    H4   DDA   4           H81      DDA   1   8.215  15.561  10.609
  370    H5   DDA   4           H75      DDA   1   5.865  17.284  11.527
  371   1H6   DDA   4          4HAM      DDA   1   7.464  18.483  10.128
  372   2H6   DDA   4          4HBM      DDA   1   7.623  18.425  10.306
  373   3H6   DDA   4          4HCM      DDA   1   7.635  18.324  10.080
  374    HO4  DDA   4          2H15      DDA   1   7.846  15.215  13.073
  375    H1   DDL   5           H88      DDA   1   5.483  13.138  12.991
  376   1H2   DDL   5          0H9       DDA   1   6.103  10.897  12.265
  377   2H2   DDL   5          1H9       DDA   1   7.573  11.049  13.197
  378    H3   DDL   5          4H10      DDA   1   4.734  11.233  14.214
  379    H4   DDL   5          0H10      DDA   1   5.754  11.718  16.413
  380    H5   DDL   5           H94      DDA   1   5.574  13.751  15.056
  381   1H6   DDL   5          5HAM      DDA   1   7.561  14.251  16.467
  382   2H6   DDL   5          5HBM      DDA   1   7.005  14.218  16.781
  383   3H6   DDL   5          5HCM      DDA   1   7.402  13.709  16.771
  384    HO4  DDL   5          2H10      DDA   1   7.495  10.212  16.171
  385    H1   DDB   6          7H10      DDA   1   4.365   9.608  16.003
  386   1H2   DDB   6          6H12      DDA   1   3.934   7.732  14.469
  387   2H2   DDB   6          3H8       DDA   1   5.504   7.107  14.821
  388    HO3  DDB   6          0H12      DDA   1   2.635   7.118  17.699
  389   1H3M  DDB   6          7HAM      DDA   1   3.748   5.099  15.968
  390   2H3M  DDB   6          7HBM      DDA   1   3.874   5.121  15.967
  391   3H3M  DDB   6          7HCM      DDA   1   3.813   5.143  15.861
  392    H4   DDB   6          7H11      DDA   1   6.091   6.651  17.186
  393    HO4  DDB   6          7H12      DDA   1   4.165   6.319  19.085
  394    H5   DDB   6          0H11      DDA   1   4.527   9.015  18.030
  395   1H6   DDB   6          6HAM      DDA   1   6.536   8.714  19.506
  396   2H6   DDB   6          6HBM      DDA   1   6.774   8.706  19.278
  397   3H6   DDB   6          6HCM      DDA   1   6.591   8.984  19.307
  398   1H2   DXB   3          H66       DXB   1  -8.392  -3.808  16.457
  399    H3   DXB   3           H64      DXB   1  -9.702  -1.901  14.393
  400    H5   DXB   3           H55      DXB   1  -9.678  -5.692   9.525
  401    HO8  DXB   3          5H14      DXB   1  -4.755  -3.636  10.966
  402    HO3  DXB   3          2H14      DXB   1 -13.627  -0.138  14.863
  403    HO4  DXB   3          5H13      DXB   1 -13.580  -2.719  13.533
  404    H4A  DXB   3           2H6      DXB   1 -11.066  -3.966  13.807
  405    H4E  DXB   3           1H6      DXB   1 -10.075  -4.872  14.959
  406   HM71  DXB   3          3HAM      DXB   1  -5.313  -4.887   7.596
  407   HM72  DXB   3          3HBM      DXB   1  -5.025  -5.067   7.967
  408   HM73  DXB   3          3HCM      DXB   1  -5.270  -5.383   7.649
  409    H10  DXB   3           H58      DXB   1 -10.382  -5.013  11.679
  410    HS1  DXB   3          3H14      DXB   1 -10.732  -1.236  16.437
  411   HM11  DXB   3          9HAM      DXB   1 -10.184  -2.641  18.383
  412   HM12  DXB   3          9HBM      DXB   1 -10.822  -3.015  18.705
  413   HM13  DXB   3          9HCM      DXB   1 -10.208  -3.454  18.417
  414    HS3  DXB   3          2H13      DXB   1 -13.247  -1.876  16.774
  415    HS4  DXB   3          6H13      DXB   1 -15.313  -2.946  15.628
  416   HM51  DXB   3          8HAM      DXB   1 -13.414  -4.443  16.235
  417   HM52  DXB   3          8HBM      DXB   1 -13.251  -4.679  15.648
  418   HM53  DXB   3          8HCM      DXB   1 -13.799  -4.876  15.925
  419   1H2   DXB   3          H66       DXB   2  -3.805  -6.041  17.009
  420    H3   DXB   3           H64      DXB   2  -0.822  -5.668  16.276
  421    H5   DXB   3           H55      DXB   2   0.608  -0.762  19.411
  422    HO8  DXB   3          5H14      DXB   2  -2.676   0.079  15.061
  423    HO3  DXB   3          2H14      DXB   2   2.263  -8.637  17.161
  424    HO4  DXB   3          5H13      DXB   2   1.813  -6.681  19.261
  425    H4A  DXB   3           1H6      DXB   2  -2.395  -5.250  18.867
  426    H4E  DXB   3           2H6      DXB   2  -0.630  -5.190  18.797
  427   HM71  DXB   3          3HAM      DXB   2  -0.443   3.086  16.807
  428   HM72  DXB   3          3HBM      DXB   2  -0.473   3.007  16.589
  429   HM73  DXB   3          3HCM      DXB   2  -0.639   3.126  16.724
  430    H10  DXB   3           H58      DXB   2  -0.110  -2.857  19.227
  431    HS1  DXB   3          3H14      DXB   2  -1.127  -8.059  16.375
  432   HM11  DXB   3          9HAM      DXB   2  -3.046  -8.971  17.060
  433   HM12  DXB   3          9HBM      DXB   2  -3.153  -9.476  18.012
  434   HM13  DXB   3          9HCM      DXB   2  -3.756  -8.601  17.799
  435    HS3  DXB   3          2H13      DXB   2  -0.029  -9.334  18.311
  436    HS4  DXB   3          6H13      DXB   2   1.500  -9.152  20.390
  437   HM51  DXB   3          8HAM      DXB   2  -0.505  -7.836  20.865
  438   HM52  DXB   3          8HBM      DXB   2  -0.699  -7.957  20.705
  439   HM53  DXB   3          8HCM      DXB   2  -0.666  -7.690  20.680
  440   1H2   DXB   3          H66       DXB   9   3.342  18.949  12.723
  441    H3   DXB   3           H64      DXB   9   1.702  18.565  15.343
  442    H5   DXB   3           H55      DXB   9   3.773  13.353  17.436
  443    HO8  DXB   3          5H14      DXB   9   1.325  12.868  12.511
  444    HO3  DXB   3          2H14      DXB   9   1.150  19.228  18.159
  445    HO4  DXB   3          5H13      DXB   9   4.509  21.388  18.169
  446    H4A  DXB   3           2H6      DXB   9   3.910  17.825  16.365
  447    H4E  DXB   3           1H6      DXB   9   4.629  17.947  14.751
  448   HM71  DXB   3          3HAM      DXB   9   1.611   9.723  14.591
  449   HM72  DXB   3          3HBM      DXB   9   2.317   9.573  14.892
  450   HM73  DXB   3          3HCM      DXB   9   1.697   9.606  15.356
  451    H10  DXB   3           H58      DXB   9   3.938  15.446  16.859
  452    HS1  DXB   3          3H14      DXB   9   2.114  20.911  15.343
  453   HM11  DXB   3          9HAM      DXB   9   3.726  22.047  13.435
  454   HM12  DXB   3          9HBM      DXB   9   3.221  22.257  13.724
  455   HM13  DXB   3          9HCM      DXB   9   3.806  22.462  13.895
  456    HS3  DXB   3          2H13      DXB   9   1.712  21.229  17.523
  457    HS4  DXB   3          6H13      DXB   9   3.422  20.570  19.573
  458   HM51  DXB   3          8HAM      DXB   9   2.481  22.085  19.834
  459   HM52  DXB   3          8HBM      DXB   9   2.444  21.953  19.705
  460   HM53  DXB   3          8HCM      DXB   9   2.396  22.295  19.853
  461   1H2   DXB   3          H66       DXB   1   4.470  17.369   8.050
  462    H3   DXB   3           H64      DXB   1   2.927  15.552   6.050
  463    H5   DXB   3           H55      DXB   1  -1.735  19.199   4.646
  464    HO8  DXB   3          5H14      DXB   1  -1.441  17.954  10.035
  465    HO3  DXB   3          2H14      DXB   1   4.826  13.847   2.671
  466    HO4  DXB   3          5H13      DXB   1   3.603  16.668   2.009
  467    H4A  DXB   3           1H6      DXB   1   3.533  18.549   6.078
  468    H4E  DXB   3           2H6      DXB   1   2.782  17.746   4.704
  469   HM71  DXB   3          3HAM      DXB   1  -4.734  19.250   8.457
  470   HM72  DXB   3          3HBM      DXB   1  -5.005  18.681   7.929
  471   HM73  DXB   3          3HCM      DXB   1  -4.740  18.450   8.670
  472    H10  DXB   3           H58      DXB   1   0.522  18.678   4.698
  473    HS1  DXB   3          3H14      DXB   1   5.185  14.969   5.675
  474   HM11  DXB   3          9HAM      DXB   1   7.275  16.883   6.651
  475   HM12  DXB   3          9HBM      DXB   1   6.849  16.599   6.941
  476   HM13  DXB   3          9HCM      DXB   1   7.192  16.302   6.565
  477    HS3  DXB   3          2H13      DXB   1   6.384  15.594   3.581
  478    HS4  DXB   3          6H13      DXB   1   6.232  16.706   1.251
  479   HM51  DXB   3          8HAM      DXB   1   5.612  18.508   2.924
  480   HM52  DXB   3          8HBM      DXB   1   6.115  18.492   2.924
  481   HM53  DXB   3          8HCM      DXB   1   5.873  18.325   3.326