*HEADER    RNA                                     14-JUN-00   1F5H              
*TITLE     THE G4(SYN)-G7(ANTI) STRUCTURE OF R(GCAGGCGUGC)2                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-R(*GP*CP*AP*GP*GP*CP*GP*UP*GP*C)-3';                    
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    GUANINE-GUANINE, GG MISMATCH, CONFORMATIONAL EXCHANGE, BASE           
*KEYWDS   2 FLIPPING, SYN GLYCOSIDIC TORSION                                     
*EXPDTA    NMR, 26 STRUCTURES                                                    
*AUTHOR    M.E.BURKARD, D.H.TURNER                                               
*REVDAT   1   26-JUN-00 1F5H    0                                                

!BIOSYM restraint 1
!
!  THIS IS FOR THE STRUCTURE WITH G4 IN THE syn CONFORMATION
!
!  MEB 17 Nov 1999;  decreased negative C6H2'-G7H1' restraint from 4.5A
!    to 3.5 A because crosspeak is visible in 400 ms mixing time spectrum
!    and G7H1' is very broad, making such crosspeaks barely visible.
!
!  16 Nov 1999
!   In light of the assignment for G4H1', conformations with both G4
!  and G7 syn have been identified.  We make two sets of restraints
!  and minimize each conformation separately.  Entirely new set of restraints
!  from those in April.
!
#distance
1:G5'_1:H1         1:C3'_10B:N3          1.800    2.500    25.000   25.000 1000.000    !Hbond
1:G5'_1:O6         1:C3'_10B:H42         1.800    2.500    25.000   25.000 1000.000    !Hbond
1:G5'_1:H22        1:C3'_10B:O2          1.800    2.500    25.000   25.000 1000.000    !Hbond
1:C_2:N3           1:G_9B:H1             1.800    2.500    25.000   25.000 1000.000    !Hbond
1:C_2:H42          1:G_9B:O6             1.800    2.500    25.000   25.000 1000.000    !Hbond
1:C_2:O2           1:G_9B:H22            1.800    2.500    25.000   25.000 1000.000    !Hbond
1:G_5:H1           1:C_6B:N3             1.800    2.500    25.000   25.000 1000.000    !Hbond
1:G_5:O6           1:C_6B:H42            1.800    2.500    25.000   25.000 1000.000    !Hbond
1:G_5:H22          1:C_6B:O2             1.800    2.500    25.000   25.000 1000.000    !Hbond
1:C_6:N3           1:G_5B:H1             1.800    2.500    25.000   25.000 1000.000    !Hbond
1:C_6:H42          1:G_5B:O6             1.800    2.500    25.000   25.000 1000.000    !Hbond
1:C_6:O2           1:G_5B:H22            1.800    2.500    25.000   25.000 1000.000    !Hbond
1:G_9:H1           1:C_2B:N3             1.800    2.500    25.000   25.000 1000.000    !Hbond
1:G_9:O6           1:C_2B:H42            1.800    2.500    25.000   25.000 1000.000    !Hbond
1:G_9:H22          1:C_2B:O2             1.800    2.500    25.000   25.000 1000.000    !Hbond
1:C3'_10:N3        1:G5'_1B:H1           1.800    2.500    25.000   25.000 1000.000    !Hbond
1:C3'_10:H42       1:G5'_1B:O6           1.800    2.500    25.000   25.000 1000.000    !Hbond
1:C3'_10:O2        1:G5'_1B:H22          1.800    3.000    25.000   25.000 1000.000    !Hbond
1:A_3:H61          1:U_8B:O4             1.800    3.000    25.000   25.000 1000.000    !Hbond
1:A_3:N1           1:U_8B:H3             1.800    3.000    25.000   25.000 1000.000    !Hbond
1:U_8:O4           1:A_3B:H61            1.800    3.000    25.000   25.000 1000.000    !Hbond
1:U_8:H3           1:A_3B:N1             1.800    3.000    25.000   25.000 1000.000    !Hbond
!***************************************************
!strand 1:
1:G5'_1:H1'       1:G5'_1:H8          2.590    4.809   25.000   25.000 1000.000    !3.699  .3/.3           
1:G5'_1:H1'       1:C_2:H6            2.357    4.377   25.000   25.000 1000.000    !3.367  .3/.3           
1:G5'_1:H2'       1:G5'_1:H8          2.129    3.953   25.000   25.000 1000.000    !3.041  .3/.3           
1:G5'_1:H2'       1:G5'_1:H1'         1.823    3.385   25.000   25.000 1000.000    !2.604  .3/.3           
1:G5'_1:H2'       1:C_2:H5            2.714    5.040   25.000   25.000 1000.000    !3.877  .3/.3           
1:G5'_1:H2'       1:C_2:H6            1.651    3.066   25.000   25.000 1000.000    !2.358  .3/.3           
1:G5'_1:H3'       1:G5'_1:H8          2.029    3.768   25.000   25.000 1000.000    !2.899  .3/.3           
1:G5'_1:H3'       1:G5'_1:H1'         2.239    4.158   25.000   25.000 1000.000    !3.198  .3/.3           
1:G5'_1:H3'       1:C_2:H5            2.197    4.080   25.000   25.000 1000.000    !3.138  .3/.3           
1:G5'_1:H3'       1:C_2:H6            1.847    3.430   25.000   25.000 1000.000    !2.639  .3/.3           
1:G5'_1:H4'       1:G5'_1:H8          3.244    5.500   25.000   25.000 1000.000    !4.635  .3/.3           
1:G5'_1:H4'       1:G5'_1:H1'         2.293    4.259   25.000   25.000 1000.000    !3.276  .3/.3           
1:C_2:H1'         1:C_2:H2'           1.809    3.359   25.000   25.000 1000.000    !2.584  .3/.3           
1:C_2:H1'         1:C_2:H3'           2.362    4.387   25.000   25.000 1000.000    !3.375  .3/.3           
1:C_2:H1'         1:C_2:H6            2.394    4.446   25.000   25.000 1000.000    !3.420  .3/.3           
1:C_2:H5          1:C_2:H6            1.718    3.190   25.000   25.000 1000.000    !2.454  .3/.3           
1:C_2:H1'         1:A_3:H8            2.717    5.045   25.000   25.000 1000.000    !3.881  .3/.3           
1:C_2:H2'         1:C_2:H6            2.051    3.809   25.000   25.000 1000.000    !2.930  .3/.3           
1:C_2:H2'         1:A_3:H8            1.690    3.139   25.000   25.000 1000.000    !2.415  .3/.3           
1:C_2:H2'         1:A_3:H1'           2.031    3.772   25.000   25.000 1000.000    !2.902  .3/.3           
1:C_2:H3'         1:C_2:H6            1.717    3.188   25.000   25.000 1000.000    !2.452  .3/.3           
1:C_2:H3'         1:A_3:H8            2.353    4.369   25.000   25.000 1000.000    !3.361  .3/.3           
1:C_2:H4'         1:C_2:H6            2.513    4.667   25.000   25.000 1000.000    !3.590  .3/.3           
1:C_2:H4'         1:A_3:H8            3.035    5.500   25.000   25.000 1000.000    !4.335  .3/.3           
1:A_3:H2          1:G_4:H8            2.503    4.649   25.000   25.000 1000.000    !3.576  .3/.3           
1:A_3:H1'         1:A_3:H8            2.611    4.849   25.000   25.000 1000.000    !3.730  .3/.3           
!  removed:  1:A_3:H1'         1:G_4:H8            2.720    5.051   25.000   25.000 1000.000    !3.885  .3/.3           
1:A_3:H2'         1:A_3:H1'           1.878    3.488   25.000   25.000 1000.000    !2.683  .3/.3           
!  removed:  1:A_3:H2'         1:G_4:H8            2.143    3.980   25.000   25.000 1000.000    !3.062  .3/.3           
1:A_3:H3'         1:A_3:H8            1.965    3.649   25.000   25.000 1000.000    !2.807  .3/.3           
1:A_3:H3'         1:A_3:H1'           2.208    4.101   25.000   25.000 1000.000    !3.155  .3/.3           
!  removed:  1:A_3:H3'         1:G_4:H8            2.183    4.055   25.000   25.000 1000.000    !3.119  .3/.3           
1:G_4:H1'         1:G_4:H8            1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative    
1:G_5:H1'         1:G_4:H8            2.700    5.014   25.000   25.000 1000.000    !3.857  .3/.3    
1:G_4:H2'         1:G_4:H8            1.894    3.517   25.000   25.000 1000.000    !2.705  .3/.3    
1:G_4:H2'         1:G_4:H1'           1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative    
1:G_4:H2'         1:G_5:H8            1.749    3.248   25.000   25.000 1000.000    !2.499  .3/.3    
!  removed:  1:G_4:H3'         1:G_4:H8            1.950    3.622   25.000   25.000 1000.000    !2.786  .3/.3    
1:G_5:H4'         1:G_5:H1'           1.885    3.500   25.000   25.000 1000.000    !2.692  .3/.3    
1:G_5:H1'         1:G_5:H8            2.347    4.359   25.000   25.000 1000.000    !3.353  .3/.3    
1:G_5:H1'         1:C_6:H6            2.516    4.673   25.000   25.000 1000.000    !3.595  .3/.3    
1:G_5:H2'         1:G_5:H1'           1.755    3.258   25.000   25.000 1000.000    !2.506  .3/.3    
1:G_5:H2'         1:C_6:H5            2.101    3.901   25.000   25.000 1000.000    !3.001  .3/.3    
1:G_5:H2'         1:C_6:H6            1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative    
1:G_5:H2'         1:C_6:H1'           2.420    4.495   25.000   25.000 1000.000    !3.458  .3/.3    
1:G_5:H3'         1:G_5:H8            2.051    3.809   25.000   25.000 1000.000    !2.930  .3/.3    
1:G_5:H3'         1:G_5:H1'           2.172    4.034   25.000   25.000 1000.000    !3.103  .3/.3    
1:G_5:H3'         1:C_6:H6            1.816    3.372   25.000   25.000 1000.000    !2.594  .3/.3    
1:G_5:H4'         1:G_5:H8            1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative    
1:C_6:H1'         1:C_6:H6            2.498    4.640   25.000   25.000 1000.000    !3.569  .3/.3    
1:C_6:H1'         1:G_7:H8            3.343    5.500   25.000   25.000 1000.000    !4.776  .3/.3  
1:C_6:H2'         1:C_6:H1'           1.971    3.660   25.000   25.000 1000.000    !2.816  .3/.3    
1:C_6:H2'         1:G_7:H8            2.052    3.811   25.000   25.000 1000.000    !2.931  .3/.3    
1:C_6:H3'         1:C_6:H5            1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative    
1:C_6:H3'         1:C_6:H6            1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative    
1:C_6:H3'         1:C_6:H1'           2.080    3.862   25.000   25.000 1000.000    !2.971  .3/.3    
1:C_6:H4'         1:C_6:H1'           2.193    4.073   25.000   25.000 1000.000    !3.133  .3/.3    
!  removed:  1:G_7:H1'         1:G_7:H8            2.037    3.784   25.000   25.000 1000.000    !2.911  .3/.3    
1:G_7:H1'         1:U_8:H6            3.098    5.500   25.000   25.000 1000.000    !4.425  .3/.3    
!  removed:  1:G_7:H2'         1:G_7:H8            1.671    3.103   25.000   25.000 1000.000    !2.387  .3/.3   
1:G_7:H2'         1:G_7:H1'           1.755    3.258   25.000   25.000 1000.000    !2.506  .3/.3 
1:G_7:H2'         1:U_8:H5            1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative  
1:G_7:H2'         1:U_8:H6            1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative    
1:G_7:H3'         1:G_7:H8            1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative    
!  removed:  1:U_8:H1'         1:G_7:H8            3.368    5.500   25.000   25.000 1000.000    !4.811  .3/.3    
1:U_8:H1'         1:U_8:H6            2.317    4.304   25.000   25.000 1000.000    !3.310  .3/.3     
1:U_8:H1'         1:U_8:H2'           1.956    3.633   25.000   25.000 1000.000    !2.794  .3/.3     
1:U_8:H1'         1:U_8:H3'           2.098    3.897   25.000   25.000 1000.000    !2.997  .3/.3    
1:U_8:H1'         1:G_7:H2'           2.094    3.890   25.000   25.000 1000.000    !2.992  .3/.3    
1:U_8:H1'         1:G_9:H8            2.408    4.471   25.000   25.000 1000.000    !3.439  .3/.3  
1:U_8:H2'         1:U_8:H6            1.971    3.660   25.000   25.000 1000.000    !2.816  .3/.3     
1:U_8:H2'         1:G_9:H8            1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative    
1:U_8:H3'         1:U_8:H5            2.304    4.279   25.000   25.000 1000.000    !3.292  .3/.3     
1:U_8:H3'         1:U_8:H6            1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative    
1:U_8:H3'         1:G_9:H8            1.785    3.315   25.000   25.000 1000.000    !2.550  .3/.3  
1:G_9:H1'         1:G_9:H8            2.449    4.547   25.000   25.000 1000.000    !3.498  .3/.3  
1:G_9:H1'         1:C3'_10:H6         2.290    4.253   25.000   25.000 1000.000    !3.271  .3/.3     
1:G_9:H2'         1:G_9:H8            2.348    4.361   25.000   25.000 1000.000    !3.355  .3/.3 
1:G_9:H2'         1:G_9:H1'           1.716    3.186   25.000   25.000 1000.000    !2.451  .3/.3     
1:G_9:H2'         1:C3'_10:H5         2.478    4.602   25.000   25.000 1000.000    !3.540  .3/.3     
1:G_9:H2'         1:C3'_10:H6         1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative    
1:G_9:H3'         1:G_9:H8            1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative    
1:G_9:H3'         1:G_9:H1'           2.166    4.022   25.000   25.000 1000.000    !3.094  .3/.3   
1:G_9:H3'         1:C3'_10:H6         2.234    4.148   25.000   25.000 1000.000    !3.191  .3/.3   
1:G_9:H4'         1:G_9:H8            2.178    4.046   25.000   25.000 1000.000    !3.112  .3/.3    
1:G_9:H4'         1:G_9:H1'           1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative    
1:C3'_10:H1'      1:C3'_10:H6         2.338    4.342   25.000   25.000 1000.000    !3.340  .3/.3    
1:C3'_10:H2'      1:C3'_10:H5         2.763    5.131   25.000   25.000 1000.000    !3.947  .3/.3    
1:C3'_10:H2'      1:C3'_10:H6         2.389    4.438   25.000   25.000 1000.000    !3.413  .3/.3    
1:C3'_10:H2'      1:C3'_10:H1'        1.744    3.239   25.000   25.000 1000.000    !2.491  .3/.3    
1:C3'_10:H3'      1:C3'_10:H5         2.700    5.014   25.000   25.000 1000.000    !3.857  .3/.3    
1:C3'_10:H3'      1:C3'_10:H6         1.802    3.347   25.000   25.000 1000.000    !2.575  .3/.3    
1:C3'_10:H3'      1:C3'_10:H1'        2.271    4.218   25.000   25.000 1000.000    !3.245  .3/.3    
1:C3'_10:H4'      1:C3'_10:H6         2.183    4.055   25.000   25.000 1000.000    !3.119  .3/.3    
1:C3'_10:H4'      1:C3'_10:H1'        2.169    4.029   25.000   25.000 1000.000    !3.099  .3/.3     
! NEGATIVE restraint added 30 Apr
1:C_6:H2'         1:G_7:H1'           3.500  999.000   25.000   25.000 1000.000    !NO CROSSPEAK SEEN in 150ms spectrum
!
!***************************************************
!strand 2:
1:G5'_1B:H1'       1:G5'_1B:H8          2.590    4.809   25.000   25.000 1000.000    !3.699  .3/.3           
1:G5'_1B:H1'       1:C_2B:H6            2.357    4.377   25.000   25.000 1000.000    !3.367  .3/.3           
1:G5'_1B:H2'       1:G5'_1B:H8          2.129    3.953   25.000   25.000 1000.000    !3.041  .3/.3           
1:G5'_1B:H2'       1:G5'_1B:H1'         1.823    3.385   25.000   25.000 1000.000    !2.604  .3/.3           
1:G5'_1B:H2'       1:C_2B:H5            2.714    5.040   25.000   25.000 1000.000    !3.877  .3/.3           
1:G5'_1B:H2'       1:C_2B:H6            1.651    3.066   25.000   25.000 1000.000    !2.358  .3/.3           
1:G5'_1B:H3'       1:G5'_1B:H8          2.029    3.768   25.000   25.000 1000.000    !2.899  .3/.3           
1:G5'_1B:H3'       1:G5'_1B:H1'         2.239    4.158   25.000   25.000 1000.000    !3.198  .3/.3           
1:G5'_1B:H3'       1:C_2B:H5            2.197    4.080   25.000   25.000 1000.000    !3.138  .3/.3           
1:G5'_1B:H3'       1:C_2B:H6            1.847    3.430   25.000   25.000 1000.000    !2.639  .3/.3           
1:G5'_1B:H4'       1:G5'_1B:H8          3.244    5.500   25.000   25.000 1000.000    !4.635  .3/.3           
1:G5'_1B:H4'       1:G5'_1B:H1'         2.293    4.259   25.000   25.000 1000.000    !3.276  .3/.3           
1:C_2B:H1'         1:C_2B:H2'           1.809    3.359   25.000   25.000 1000.000    !2.584  .3/.3           
1:C_2B:H1'         1:C_2B:H3'           2.362    4.387   25.000   25.000 1000.000    !3.375  .3/.3           
1:C_2B:H1'         1:C_2B:H6            2.394    4.446   25.000   25.000 1000.000    !3.420  .3/.3           
1:C_2B:H5          1:C_2B:H6            1.718    3.190   25.000   25.000 1000.000    !2.454  .3/.3           
1:C_2B:H1'         1:A_3B:H8            2.717    5.045   25.000   25.000 1000.000    !3.881  .3/.3           
1:C_2B:H2'         1:C_2B:H6            2.051    3.809   25.000   25.000 1000.000    !2.930  .3/.3           
1:C_2B:H2'         1:A_3B:H8            1.690    3.139   25.000   25.000 1000.000    !2.415  .3/.3           
1:C_2B:H2'         1:A_3B:H1'           2.031    3.772   25.000   25.000 1000.000    !2.902  .3/.3           
1:C_2B:H3'         1:C_2B:H6            1.717    3.188   25.000   25.000 1000.000    !2.452  .3/.3           
1:C_2B:H3'         1:A_3B:H8            2.353    4.369   25.000   25.000 1000.000    !3.361  .3/.3           
1:C_2B:H4'         1:C_2B:H6            2.513    4.667   25.000   25.000 1000.000    !3.590  .3/.3           
1:C_2B:H4'         1:A_3B:H8            3.035    5.500   25.000   25.000 1000.000    !4.335  .3/.3           
1:A_3B:H2          1:G_4B:H8            2.503    4.649   25.000   25.000 1000.000    !3.576  .3/.3           
1:A_3B:H1'         1:A_3B:H8            2.611    4.849   25.000   25.000 1000.000    !3.730  .3/.3           
!  removed:  1:A_3B:H1'         1:G_4B:H8            2.720    5.051   25.000   25.000 1000.000    !3.885  .3/.3           
1:A_3B:H2'         1:A_3B:H1'           1.878    3.488   25.000   25.000 1000.000    !2.683  .3/.3           
!  removed:  1:A_3B:H2'         1:G_4B:H8            2.143    3.980   25.000   25.000 1000.000    !3.062  .3/.3           
1:A_3B:H3'         1:A_3B:H8            1.965    3.649   25.000   25.000 1000.000    !2.807  .3/.3           
1:A_3B:H3'         1:A_3B:H1'           2.208    4.101   25.000   25.000 1000.000    !3.155  .3/.3           
!  removed:  1:A_3B:H3'         1:G_4B:H8            2.183    4.055   25.000   25.000 1000.000    !3.119  .3/.3           
1:G_4B:H1'         1:G_4B:H8            1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative    
1:G_5B:H1'         1:G_4B:H8            2.700    5.014   25.000   25.000 1000.000    !3.857  .3/.3    
1:G_4B:H2'         1:G_4B:H8            1.894    3.517   25.000   25.000 1000.000    !2.705  .3/.3    
1:G_4B:H2'         1:G_4B:H1'           1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative    
1:G_4B:H2'         1:G_5B:H8            1.749    3.248   25.000   25.000 1000.000    !2.499  .3/.3    
!  removed:  1:G_4B:H3'         1:G_4B:H8            1.950    3.622   25.000   25.000 1000.000    !2.786  .3/.3    
1:G_5B:H4'         1:G_5B:H1'           1.885    3.500   25.000   25.000 1000.000    !2.692  .3/.3    
1:G_5B:H1'         1:G_5B:H8            2.347    4.359   25.000   25.000 1000.000    !3.353  .3/.3    
1:G_5B:H1'         1:C_6B:H6            2.516    4.673   25.000   25.000 1000.000    !3.595  .3/.3    
1:G_5B:H2'         1:G_5B:H1'           1.755    3.258   25.000   25.000 1000.000    !2.506  .3/.3    
1:G_5B:H2'         1:C_6B:H5            2.101    3.901   25.000   25.000 1000.000    !3.001  .3/.3    
1:G_5B:H2'         1:C_6B:H6            1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative    
1:G_5B:H2'         1:C_6B:H1'           2.420    4.495   25.000   25.000 1000.000    !3.458  .3/.3    
1:G_5B:H3'         1:G_5B:H8            2.051    3.809   25.000   25.000 1000.000    !2.930  .3/.3    
1:G_5B:H3'         1:G_5B:H1'           2.172    4.034   25.000   25.000 1000.000    !3.103  .3/.3    
1:G_5B:H3'         1:C_6B:H6            1.816    3.372   25.000   25.000 1000.000    !2.594  .3/.3    
1:G_5B:H4'         1:G_5B:H8            1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative    
1:C_6B:H1'         1:C_6B:H6            2.498    4.640   25.000   25.000 1000.000    !3.569  .3/.3    
1:C_6B:H1'         1:G_7B:H8            3.343    5.500   25.000   25.000 1000.000    !4.776  .3/.3  
1:C_6B:H2'         1:C_6B:H1'           1.971    3.660   25.000   25.000 1000.000    !2.816  .3/.3    
1:C_6B:H2'         1:G_7B:H8            2.052    3.811   25.000   25.000 1000.000    !2.931  .3/.3    
1:C_6B:H3'         1:C_6B:H5            1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative    
1:C_6B:H3'         1:C_6B:H6            1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative    
1:C_6B:H3'         1:C_6B:H1'           2.080    3.862   25.000   25.000 1000.000    !2.971  .3/.3    
1:C_6B:H4'         1:C_6B:H1'           2.193    4.073   25.000   25.000 1000.000    !3.133  .3/.3    
!  removed:  1:G_7B:H1'         1:G_7B:H8            2.037    3.784   25.000   25.000 1000.000    !2.911  .3/.3    
1:G_7B:H1'         1:U_8B:H6            3.098    5.500   25.000   25.000 1000.000    !4.425  .3/.3    
!  removed:  1:G_7B:H2'         1:G_7B:H8            1.671    3.103   25.000   25.000 1000.000    !2.387  .3/.3   
1:G_7B:H2'         1:G_7B:H1'           1.755    3.258   25.000   25.000 1000.000    !2.506  .3/.3 
1:G_7B:H2'         1:U_8B:H5            1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative  
1:G_7B:H2'         1:U_8B:H6            1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative    
1:G_7B:H3'         1:G_7B:H8            1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative    
!  removed:  1:U_8B:H1'         1:G_7B:H8            3.368    5.500   25.000   25.000 1000.000    !4.811  .3/.3    
1:U_8B:H1'         1:U_8B:H6            2.317    4.304   25.000   25.000 1000.000    !3.310  .3/.3     
1:U_8B:H1'         1:U_8B:H2'           1.956    3.633   25.000   25.000 1000.000    !2.794  .3/.3     
1:U_8B:H1'         1:U_8B:H3'           2.098    3.897   25.000   25.000 1000.000    !2.997  .3/.3    
1:U_8B:H1'         1:G_7B:H2'           2.094    3.890   25.000   25.000 1000.000    !2.992  .3/.3    
1:U_8B:H1'         1:G_9B:H8            2.408    4.471   25.000   25.000 1000.000    !3.439  .3/.3  
1:U_8B:H2'         1:U_8B:H6            1.971    3.660   25.000   25.000 1000.000    !2.816  .3/.3     
1:U_8B:H2'         1:G_9B:H8            1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative    
1:U_8B:H3'         1:U_8B:H5            2.304    4.279   25.000   25.000 1000.000    !3.292  .3/.3     
1:U_8B:H3'         1:U_8B:H6            1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative    
1:U_8B:H3'         1:G_9B:H8            1.785    3.315   25.000   25.000 1000.000    !2.550  .3/.3  
1:G_9B:H1'         1:G_9B:H8            2.449    4.547   25.000   25.000 1000.000    !3.498  .3/.3  
1:G_9B:H1'         1:C3'_10B:H6         2.290    4.253   25.000   25.000 1000.000    !3.271  .3/.3     
1:G_9B:H2'         1:G_9B:H8            2.348    4.361   25.000   25.000 1000.000    !3.355  .3/.3 
1:G_9B:H2'         1:G_9B:H1'           1.716    3.186   25.000   25.000 1000.000    !2.451  .3/.3     
1:G_9B:H2'         1:C3'_10B:H5         2.478    4.602   25.000   25.000 1000.000    !3.540  .3/.3     
1:G_9B:H2'         1:C3'_10B:H6         1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative    
1:G_9B:H3'         1:G_9B:H8            1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative    
1:G_9B:H3'         1:G_9B:H1'           2.166    4.022   25.000   25.000 1000.000    !3.094  .3/.3   
1:G_9B:H3'         1:C3'_10B:H6         2.234    4.148   25.000   25.000 1000.000    !3.191  .3/.3   
1:G_9B:H4'         1:G_9B:H8            2.178    4.046   25.000   25.000 1000.000    !3.112  .3/.3    
1:G_9B:H4'         1:G_9B:H1'           1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative    
1:C3'_10B:H1'      1:C3'_10B:H6         2.338    4.342   25.000   25.000 1000.000    !3.340  .3/.3    
1:C3'_10B:H2'      1:C3'_10B:H5         2.763    5.131   25.000   25.000 1000.000    !3.947  .3/.3    
1:C3'_10B:H2'      1:C3'_10B:H6         2.389    4.438   25.000   25.000 1000.000    !3.413  .3/.3    
1:C3'_10B:H2'      1:C3'_10B:H1'        1.744    3.239   25.000   25.000 1000.000    !2.491  .3/.3    
1:C3'_10B:H3'      1:C3'_10B:H5         2.700    5.014   25.000   25.000 1000.000    !3.857  .3/.3    
1:C3'_10B:H3'      1:C3'_10B:H6         1.802    3.347   25.000   25.000 1000.000    !2.575  .3/.3    
1:C3'_10B:H3'      1:C3'_10B:H1'        2.271    4.218   25.000   25.000 1000.000    !3.245  .3/.3    
1:C3'_10B:H4'      1:C3'_10B:H6         2.183    4.055   25.000   25.000 1000.000    !3.119  .3/.3    
1:C3'_10B:H4'      1:C3'_10B:H1'        2.169    4.029   25.000   25.000 1000.000    !3.099  .3/.3     
! NEGATIVE restraint added 30 Apr; modified to 3.500 17Nov99; seen in 400 ms spectrum
1:C_6B:H2'         1:G_7B:H1'           3.500  999.000   25.000   25.000 1000.000    !NO CROSSPEAK SEEN IN 150 ms
!
!**********************************************
!cross-strand
1:G_9:H1'          1:A_3B:H2            2.229    4.140   25.000   25.000 1000.000    !3.185  .3/.3 
1:G_9B:H1'         1:A_3:H2             2.229    4.140   25.000   25.000 1000.000    !3.185  .3/.3 
!***************************************************
! Restraint from imino proton 1DNOEs:  CROSS STRAND
!  removed:  1:G_5:H1          1:G_7B:H8             1.000    5.000    25.000   25.000 1000.000    !1DNOE
!  removed:  1:G_5B:H1         1:G_7:H8              1.000    5.000    25.000   25.000 1000.000    !1DNOE
!
!
!
!**********************************************
!  DIHEDRAL RESTRAINTS
!**********************************************
! (FROM CHEN)
!
#NMR_dihedral
!alpha    P-O5'; first strand
1:G5'_1:O3'        1:C_2:P            1:C_2:O5'          1:C_2:C5'          -150.000 150.000 50.00 50.00 1000.000
1:C_2:O3'          1:A_3:P            1:A_3:O5'          1:A_3:C5'          -150.000 150.000 50.00 50.00 1000.000
1:A_3:O3'          1:G_4:P            1:G_4:O5'          1:G_4:C5'          -150.000 150.000 50.00 50.00 1000.000
1:G_4:O3'          1:G_5:P            1:G_5:O5'          1:G_5:C5'          -150.000 150.000 50.00 50.00 1000.000
1:G_5:O3'          1:C_6:P            1:C_6:O5'          1:C_6:C5'          -150.000 150.000 50.00 50.00 1000.000
1:C_6:O3'          1:G_7:P            1:G_7:O5'          1:G_7:C5'          -150.000 150.000 50.00 50.00 1000.000
1:G_7:O3'          1:U_8:P            1:U_8:O5'          1:U_8:C5'          -150.000 150.000 50.00 50.00 1000.000
1:U_8:O3'          1:G_9:P            1:G_9:O5'          1:G_9:C5'          -150.000 150.000 50.00 50.00 1000.000
1:G_9:O3'          1:C3'_10:P         1:C3'_10:O5'       1:C3'_10:C5'       -150.000 150.000 50.00 50.00 1000.000
!alpha     P-O5'; second strand
1:G5'_1B:O3'       1:C_2B:P           1:C_2B:O5'         1:C_2B:C5'         -150.000 150.000 50.00 50.00 1000.000
1:C_2B:O3'         1:A_3B:P           1:A_3B:O5'         1:A_3B:C5'         -150.000 150.000 50.00 50.00 1000.000
1:A_3B:O3'         1:G_4B:P           1:G_4B:O5'         1:G_4B:C5'         -150.000 150.000 50.00 50.00 1000.000
1:G_4B:O3'         1:G_5B:P           1:G_5B:O5'         1:G_5B:C5'         -150.000 150.000 50.00 50.00 1000.000
1:G_5B:O3'         1:C_6B:P           1:C_6B:O5'         1:C_6B:C5'         -150.000 150.000 50.00 50.00 1000.000
1:C_6B:O3'         1:G_7B:P           1:G_7B:O5'         1:G_7B:C5'         -150.000 150.000 50.00 50.00 1000.000
1:G_7B:O3'         1:U_8B:P           1:U_8B:O5'         1:U_8B:C5'         -150.000 150.000 50.00 50.00 1000.000
1:U_8B:O3'         1:G_9B:P           1:G_9B:O5'         1:G_9B:C5'         -150.000 150.000 50.00 50.00 1000.000
1:G_9B:O3'         1:C3'_10B:P        1:C3'_10B:O5'      1:C3'_10B:C5'      -150.000 150.000 50.00 50.00 1000.000
!beta      O5'-C5'; first strand
1:C_2:P            1:C_2:O5'          1:C_2:C5'          1:C_2:C4'          150.000 -150.000 50.00 50.00 1000.000
1:A_3:P            1:A_3:O5'          1:A_3:C5'          1:A_3:C4'          150.000 -150.000 50.00 50.00 1000.000
1:G_5:P            1:G_5:O5'          1:G_5:C5'          1:G_5:C4'          150.000 -150.000 50.00 50.00 1000.000
1:C_6:P            1:C_6:O5'          1:C_6:C5'          1:C_6:C4'          150.000 -150.000 50.00 50.00 1000.000
1:U_8:P            1:U_8:O5'          1:U_8:C5'          1:U_8:C4'          150.000 -150.000 50.00 50.00 1000.000
1:G_9:P            1:G_9:O5'          1:G_9:C5'          1:G_9:C4'          150.000 -150.000 50.00 50.00 1000.000
1:C3'_10:P         1:C3'_10:O5'       1:C3'_10:C5'       1:C3'_10:C4'       150.000 -150.000 50.00 50.00 1000.000
!beta      O5'-C5'; second strand
1:C_2B:P           1:C_2B:O5'         1:C_2B:C5'         1:C_2B:C4'         150.000 -150.000 50.00 50.00 1000.000
1:A_3B:P           1:A_3B:O5'         1:A_3B:C5'         1:A_3B:C4'         150.000 -150.000 50.00 50.00 1000.000
1:G_5B:P           1:G_5B:O5'         1:G_5B:C5'         1:G_5B:C4'         150.000 -150.000 50.00 50.00 1000.000
1:C_6B:P           1:C_6B:O5'         1:C_6B:C5'         1:C_6B:C4'         150.000 -150.000 50.00 50.00 1000.000
1:U_8B:P           1:U_8B:O5'         1:U_8B:C5'         1:U_8B:C4'         150.000 -150.000 50.00 50.00 1000.000
1:G_9B:P           1:G_9B:O5'         1:G_9B:C5'         1:G_9B:C4'         150.000 -150.000 50.00 50.00 1000.000
1:C3'_10B:P        1:C3'_10B:O5'      1:C3'_10B:C5'      1:C3'_10B:C4'      150.000 -150.000 50.00 50.00 1000.000
!gamma     C5'-C4'; first strand
1:G5'_1:O5'        1:G5'_1:C5'        1:G5'_1:C4'        1:G5'_1:C3'        30.000 90.000 50.00 50.00 1000.000
1:C_2:O5'          1:C_2:C5'          1:C_2:C4'          1:C_2:C3'          30.000 90.000 50.00 50.00 1000.000
1:A_3:O5'          1:A_3:C5'          1:A_3:C4'          1:A_3:C3'          30.000 90.000 50.00 50.00 1000.000
1:G_5:O5'          1:G_5:C5'          1:G_5:C4'          1:G_5:C3'          30.000 90.000 50.00 50.00 1000.000
1:C_6:O5'          1:C_6:C5'          1:C_6:C4'          1:C_6:C3'          30.000 90.000 50.00 50.00 1000.000
1:U_8:O5'          1:U_8:C5'          1:U_8:C4'          1:U_8:C3'          30.000 90.000 50.00 50.00 1000.000
1:G_9:O5'          1:G_9:C5'          1:G_9:C4'          1:G_9:C3'          30.000 90.000 50.00 50.00 1000.000
1:C3'_10:O5'       1:C3'_10:C5'       1:C3'_10:C4'       1:C3'_10:C3'       30.000 90.000 50.00 50.00 1000.000
!gamma     C5'-C4'; second strand
1:G5'_1B:O5'       1:G5'_1B:C5'       1:G5'_1B:C4'       1:G5'_1B:C3'       30.000 90.000 50.00 50.00 1000.000
1:C_2B:O5'         1:C_2B:C5'         1:C_2B:C4'         1:C_2B:C3'         30.000 90.000 50.00 50.00 1000.000
1:A_3B:O5'         1:A_3B:C5'         1:A_3B:C4'         1:A_3B:C3'         30.000 90.000 50.00 50.00 1000.000
1:G_5B:O5'         1:G_5B:C5'         1:G_5B:C4'         1:G_5B:C3'         30.000 90.000 50.00 50.00 1000.000
1:C_6B:O5'         1:C_6B:C5'         1:C_6B:C4'         1:C_6B:C3'         30.000 90.000 50.00 50.00 1000.000
1:U_8B:O5'         1:U_8B:C5'         1:U_8B:C4'         1:U_8B:C3'         30.000 90.000 50.00 50.00 1000.000
1:G_9B:O5'         1:G_9B:C5'         1:G_9B:C4'         1:G_9B:C3'         30.000 90.000 50.00 50.00 1000.000
1:C3'_10B:O5'      1:C3'_10B:C5'      1:C3'_10B:C4'      1:C3'_10B:C3'      30.000 90.000 50.00 50.00 1000.000
!delta     C4'-C3'; first strand
1:G5'_1:C5'        1:G5'_1:C4'        1:G5'_1:C3'        1:G5'_1:O3'        70.000 110.000 50.00 50.00 1000.000
1:C_2:C5'          1:C_2:C4'          1:C_2:C3'          1:C_2:O3'          70.000 110.000 50.00 50.00 1000.000
1:A_3:C5'          1:A_3:C4'          1:A_3:C3'          1:A_3:O3'          70.000 110.000 50.00 50.00 1000.000
1:G_5:C5'          1:G_5:C4'          1:G_5:C3'          1:G_5:O3'          70.000 110.000 50.00 50.00 1000.000
1:C_6:C5'          1:C_6:C4'          1:C_6:C3'          1:C_6:O3'          70.000 110.000 50.00 50.00 1000.000
1:U_8:C5'          1:U_8:C4'          1:U_8:C3'          1:U_8:O3'          70.000 110.000 50.00 50.00 1000.000
1:G_9:C5'          1:G_9:C4'          1:G_9:C3'          1:G_9:O3'          70.000 110.000 50.00 50.00 1000.000
1:C3'_10:C5'       1:C3'_10:C4'       1:C3'_10:C3'       1:C3'_10:O3'       70.000 110.000 50.00 50.00 1000.000
!delta     C4'-C3'; second strand
1:G5'_1B:C5'       1:G5'_1B:C4'       1:G5'_1B:C3'       1:G5'_1B:O3'       70.000 110.000 50.00 50.00 1000.000
1:C_2B:C5'         1:C_2B:C4'         1:C_2B:C3'         1:C_2B:O3'         70.000 110.000 50.00 50.00 1000.000
1:A_3B:C5'         1:A_3B:C4'         1:A_3B:C3'         1:A_3B:O3'         70.000 110.000 50.00 50.00 1000.000
1:G_5B:C5'         1:G_5B:C4'         1:G_5B:C3'         1:G_5B:O3'         70.000 110.000 50.00 50.00 1000.000
1:C_6B:C5'         1:C_6B:C4'         1:C_6B:C3'         1:C_6B:O3'         70.000 110.000 50.00 50.00 1000.000
1:U_8B:C5'         1:U_8B:C4'         1:U_8B:C3'         1:U_8B:O3'         70.000 110.000 50.00 50.00 1000.000
1:G_9B:C5'         1:G_9B:C4'         1:G_9B:C3'         1:G_9B:O3'         70.000 110.000 50.00 50.00 1000.000
1:C3'_10B:C5'      1:C3'_10B:C4'      1:C3'_10B:C3'      1:C3'_10B:O3'      70.000 110.000 50.00 50.00 1000.000
!epsilon   C3'-O3'; first strand
1:G5'_1:C4'        1:G5'_1:C3'        1:G5'_1:O3'        1:C_2:P            -170.000 -100.000 50.00 50.00 1000.000
1:C_2:C4'          1:C_2:C3'          1:C_2:O3'          1:A_3:P            -170.000 -100.000 50.00 50.00 1000.000
1:A_3:C4'          1:A_3:C3'          1:A_3:O3'          1:G_4:P            -170.000 -100.000 50.00 50.00 1000.000
1:G_5:C4'          1:G_5:C3'          1:G_5:O3'          1:C_6:P            -170.000 -100.000 50.00 50.00 1000.000
1:C_6:C4'          1:C_6:C3'          1:C_6:O3'          1:G_7:P            -170.000 -100.000 50.00 50.00 1000.000
1:U_8:C4'          1:U_8:C3'          1:U_8:O3'          1:G_9:P            -170.000 -100.000 50.00 50.00 1000.000
1:G_9:C4'          1:G_9:C3'          1:G_9:O3'          1:C3'_10:P         -170.000 -100.000 50.00 50.00 1000.000   
!epsilon   C3'-O3'; second strand
1:G5'_1B:C4'       1:G5'_1B:C3'       1:G5'_1B:O3'       1:C_2B:P           -170.000 -100.000 50.00 50.00 1000.000
1:C_2B:C4'         1:C_2B:C3'         1:C_2B:O3'         1:A_3B:P           -170.000 -100.000 50.00 50.00 1000.000
1:A_3B:C4'         1:A_3B:C3'         1:A_3B:O3'         1:G_4B:P           -170.000 -100.000 50.00 50.00 1000.000
1:G_5B:C4'         1:G_5B:C3'         1:G_5B:O3'         1:C_6B:P           -170.000 -100.000 50.00 50.00 1000.000
1:C_6B:C4'         1:C_6B:C3'         1:C_6B:O3'         1:G_7B:P           -170.000 -100.000 50.00 50.00 1000.000
1:U_8B:C4'         1:U_8B:C3'         1:U_8B:O3'         1:G_9B:P           -170.000 -100.000 50.00 50.00 1000.000
1:G_9B:C4'         1:G_9B:C3'         1:G_9B:O3'         1:C3'_10B:P        -170.000 -100.000 50.00 50.00 1000.000   
!zeta      O3'-P; first strand
1:G5'_1:C3'        1:G5'_1:O3'        1:C_2:P            1:C_2:O5'          -150.000 150.000 50.00 50.00 1000.000
1:C_2:C3'          1:C_2:O3'          1:A_3:P            1:A_3:O5'          -150.000 150.000 50.00 50.00 1000.000
1:G_4:C3'          1:G_4:O3'          1:G_5:P            1:G_5:O5'          -150.000 150.000 50.00 50.00 1000.000
1:G_5:C3'          1:G_5:O3'          1:C_6:P            1:C_6:O5'          -150.000 150.000 50.00 50.00 1000.000
1:C_6:C3'          1:C_6:O3'          1:G_7:P            1:G_7:O5'          -150.000 150.000 50.00 50.00 1000.000
1:U_8:C3'          1:U_8:O3'          1:G_9:P            1:G_9:O5'          -150.000 150.000 50.00 50.00 1000.000
1:G_9:C3'          1:G_9:O3'          1:C3'_10:P         1:C3'_10:O5'       -150.000 150.000 50.00 50.00 1000.000
!zeta       O3'-P; second strand
1:G5'_1B:C3'       1:G5'_1B:O3'       1:C_2B:P           1:C_2B:O5'         -150.000 150.000 50.00 50.00 1000.000
1:C_2B:C3'         1:C_2B:O3'         1:A_3B:P           1:A_3B:O5'         -150.000 150.000 50.00 50.00 1000.000
1:A_3B:C3'         1:A_3B:O3'         1:G_4B:P           1:G_4B:O5'         -150.000 150.000 50.00 50.00 1000.000
1:G_4B:C3'         1:G_4B:O3'         1:G_5B:P           1:G_5B:O5'         -150.000 150.000 50.00 50.00 1000.000
1:G_5B:C3'         1:G_5B:O3'         1:C_6B:P           1:C_6B:O5'         -150.000 150.000 50.00 50.00 1000.000
1:C_6B:C3'         1:C_6B:O3'         1:G_7B:P           1:G_7B:O5'         -150.000 150.000 50.00 50.00 1000.000
1:G_7B:C3'         1:G_7B:O3'         1:U_8B:P           1:U_8B:O5'         -150.000 150.000 50.00 50.00 1000.000
1:U_8B:C3'         1:U_8B:O3'         1:G_9B:P           1:G_9B:O5'         -150.000 150.000 50.00 50.00 1000.000
1:G_9B:C3'         1:G_9B:O3'         1:C3'_10B:P        1:C3'_10B:O5'      -150.000 150.000 50.00 50.00 1000.000
!chi        Glycosidic torsions; strand 1
1:G5'_1:O4'        1:G5'_1:C1'        1:G5'_1:N9         1:G5'_1:C4         150.000 -150.000 50.00 50.00 1000.000
1:C_2:O4'          1:C_2:C1'          1:C_2:N1           1:C_2:C2           150.000 -150.000 50.00 50.00 1000.000
1:A_3:O4'          1:A_3:C1'          1:A_3:N9           1:A_3:C4           150.000 -150.000 50.00 50.00 1000.000
1:G_4:O4'          1:G_4:C1'          1:G_4:N9           1:G_4:C4           -10.000   50.000 50.00 50.00 1000.000
1:G_5:O4'          1:G_5:C1'          1:G_5:N9           1:G_5:C4           150.000 -150.000 50.00 50.00 1000.000
1:C_6:O4'          1:C_6:C1'          1:C_6:N1           1:C_6:C2           150.000 -150.000 50.00 50.00 1000.000
1:G_7:O4'          1:G_7:C1'          1:G_7:N9           1:G_7:C4           150.000 -150.000 50.00 50.00 1000.000
1:U_8:O4'          1:U_8:C1'          1:U_8:N1           1:U_8:C2           150.000 -150.000 50.00 50.00 1000.000
1:G_9:O4'          1:G_9:C1'          1:G_9:N9           1:G_9:C4           150.000 -150.000 50.00 50.00 1000.000
1:C3'_10:O4'       1:C3'_10:C1'       1:C3'_10:N1        1:C3'_10:C2        150.000 -150.000 50.00 50.00 1000.000
!chi         Glycosidic torsions; strand 2
1:G5'_1B:O4'       1:G5'_1B:C1'       1:G5'_1B:N9        1:G5'_1B:C4        150.000 -150.000 50.00 50.00 1000.000
1:C_2B:O4'         1:C_2B:C1'         1:C_2B:N1          1:C_2B:C2          150.000 -150.000 50.00 50.00 1000.000
1:A_3B:O4'         1:A_3B:C1'         1:A_3B:N9          1:A_3B:C4          150.000 -150.000 50.00 50.00 1000.000
1:G_4B:O4'         1:G_4B:C1'         1:G_4B:N9          1:G_4B:C4          -10.000   50.000 50.00 50.00 1000.000
1:G_5B:O4'         1:G_5B:C1'         1:G_5B:N9          1:G_5B:C4          150.000 -150.000 50.00 50.00 1000.000
1:C_6B:O4'         1:C_6B:C1'         1:C_6B:N1          1:C_6B:C2          150.000 -150.000 50.00 50.00 1000.000
1:G_7B:O4'         1:G_7B:C1'         1:G_7B:N9          1:G_7B:C4          150.000 -150.000 50.00 50.00 1000.000
1:U_8B:O4'         1:U_8B:C1'         1:U_8B:N1          1:U_8B:C2          150.000 -150.000 50.00 50.00 1000.000
1:G_9B:O4'         1:G_9B:C1'         1:G_9B:N9          1:G_9B:C4          150.000 -150.000 50.00 50.00 1000.000
1:C3'_10B:O4'      1:C3'_10B:C1'      1:C3'_10B:N1       1:C3'_10B:C2       150.000 -150.000 50.00 50.00 1000.000


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1   3.424  13.496 -10.249
    2   2H5*    G   1          2H5*        G   1   4.190  11.967 -10.708
    3    H4*    G   1           H4*        G   1   5.851  13.316  -9.628
    4    H3*    G   1           H3*        G   1   4.836  11.154  -7.755
    5    H2*    G   1           H2*        G   1   6.596  11.825  -6.274
    6   2HO*    G   1          2HO*        G   1   8.059  12.246  -8.165
    7    H1*    G   1           H1*        G   1   6.130  14.450  -6.524
    8    H8     G   1           H8         G   1   2.740  12.785  -6.658
    9    H1     G   1           H1         G   1   5.077  13.645  -0.722
   10   1H2     G   1          1H2         G   1   8.109  14.075  -2.409
   11   2H2     G   1          2H2         G   1   7.297  13.970  -0.847
   12    H5T    G   1           H5T        G   1   3.179  10.958  -8.996
   13   1H5*    C   2          1H5*        C   2   9.024  10.645  -7.653
   14   2H5*    C   2          2H5*        C   2   9.388   8.915  -7.581
   15    H4*    C   2           H4*        C   2  10.307  10.143  -5.646
   16    H3*    C   2           H3*        C   2   8.120   8.151  -5.033
   17    H2*    C   2           H2*        C   2   8.641   8.550  -2.700
   18   2HO*    C   2          2HO*        C   2  10.961   8.697  -3.117
   19    H1*    C   2           H1*        C   2   8.819  11.271  -2.963
   20   1H4     C   2          1H4         C   2   2.351   9.825  -2.598
   21   2H4     C   2          2H4         C   2   2.940  10.038  -0.953
   22    H5     C   2           H5         C   2   3.892   9.837  -4.534
   23    H6     C   2           H6         C   2   6.194  10.147  -5.200
   24   1H5*    A   3          1H5*        A   3  11.743   7.106  -2.739
   25   2H5*    A   3          2H5*        A   3  11.828   5.348  -2.520
   26    H4*    A   3           H4*        A   3  11.735   6.667  -0.364
   27    H3*    A   3           H3*        A   3   9.545   4.684  -0.995
   28    H2*    A   3           H2*        A   3   8.636   5.132   1.177
   29   2HO*    A   3          2HO*        A   3  10.395   5.228   2.476
   30    H1*    A   3           H1*        A   3   8.986   7.855   1.045
   31    H8     A   3           H8         A   3   7.741   6.543  -2.333
   32   1H6     A   3          1H6         A   3   2.092   7.311   0.201
   33   2H6     A   3          2H6         A   3   2.942   6.947  -1.298
   34    H2     A   3           H2         A   3   5.073   7.599   3.427
   35   1H5*    G   4          1H5*        G   4  11.525   3.667   3.004
   36   2H5*    G   4          2H5*        G   4  11.380   1.913   3.225
   37    H4*    G   4           H4*        G   4  10.393   3.235   5.092
   38    H3*    G   4           H3*        G   4   8.403   1.602   3.482
   39    H2*    G   4           H2*        G   4   6.857   2.155   5.241
   40   2HO*    G   4          2HO*        G   4   8.701   1.916   6.846
   41    H1*    G   4           H1*        G   4   7.809   4.772   5.501
   42    H8     G   4           H8         G   4   5.238   5.024   5.448
   43    H1     G   4           H1         G   4   4.827   3.069  -0.659
   44   1H2     G   4          1H2         G   4   8.244   2.373  -0.322
   45   2H2     G   4          2H2         G   4   6.848   2.370  -1.377
   46   1H5*    G   5          1H5*        G   5   7.669   0.418   7.518
   47   2H5*    G   5          2H5*        G   5   7.268  -1.302   7.551
   48    H4*    G   5           H4*        G   5   5.496   0.239   8.468
   49    H3*    G   5           H3*        G   5   4.826  -1.588   6.154
   50    H2*    G   5           H2*        G   5   2.530  -0.866   6.444
   51   2HO*    G   5          2HO*        G   5   2.889  -0.796   8.849
   52    H1*    G   5           H1*        G   5   3.125   1.768   6.736
   53    H8     G   5           H8         G   5   5.491   0.662   4.027
   54    H1     G   5           H1         G   5  -0.617   1.254   2.049
   55   1H2     G   5          1H2         G   5  -1.317   1.285   5.463
   56   2H2     G   5          2H2         G   5  -1.980   1.295   3.831
   57   1H5*    C   6          1H5*        C   6   1.809  -2.219   9.249
   58   2H5*    C   6          2H5*        C   6   1.397  -3.937   9.323
   59    H4*    C   6           H4*        C   6  -0.557  -2.420   8.868
   60    H3*    C   6           H3*        C   6   0.184  -4.534   6.836
   61    H2*    C   6           H2*        C   6  -1.809  -3.919   5.649
   62   2HO*    C   6          2HO*        C   6  -2.965  -3.634   7.751
   63    H1*    C   6           H1*        C   6  -1.521  -1.207   5.998
   64   1H4     C   6          1H4         C   6   2.312  -2.420   0.783
   65   2H4     C   6          2H4         C   6   0.708  -2.053   0.168
   66    H5     C   6           H5         C   6   2.772  -2.663   3.191
   67    H6     C   6           H6         C   6   1.793  -2.560   5.391
   68   1H5*    G   7          1H5*        G   7  -4.068  -5.226   7.664
   69   2H5*    G   7          2H5*        G   7  -4.378  -6.967   7.537
   70    H4*    G   7           H4*        G   7  -5.646  -5.603   5.871
   71    H3*    G   7           H3*        G   7  -3.609  -7.544   4.765
   72    H2*    G   7           H2*        G   7  -4.520  -6.973   2.548
   73   2HO*    G   7          2HO*        G   7  -6.613  -6.606   2.690
   74    H1*    G   7           H1*        G   7  -4.395  -4.312   3.015
   75    H8     G   7           H8         G   7  -1.420  -5.979   4.815
   76    H1     G   7           H1         G   7  -0.576  -4.911  -1.474
   77   1H2     G   7          1H2         G   7  -2.584  -4.453  -2.415
   78   2H2     G   7          2H2         G   7  -4.013  -4.317  -1.411
   79   1H5*    U   8          1H5*        U   8  -7.782  -8.195   3.371
   80   2H5*    U   8          2H5*        U   8  -8.085  -9.876   2.894
   81    H4*    U   8           H4*        U   8  -8.583  -8.170   1.110
   82    H3*    U   8           H3*        U   8  -6.409 -10.198   0.496
   83    H2*    U   8           H2*        U   8  -6.547  -9.310  -1.775
   84   2HO*    U   8          2HO*        U   8  -8.923  -8.963  -1.542
   85    H1*    U   8           H1*        U   8  -6.460  -6.730  -0.930
   86    H3     U   8           H3         U   8  -2.382  -7.512  -2.788
   87    H5     U   8           H5         U   8  -2.186  -9.347   0.991
   88    H6     U   8           H6         U   8  -4.530  -8.952   1.271
   89   1H5*    G   9          1H5*        G   9  -9.410 -10.342  -2.700
   90   2H5*    G   9          2H5*        G   9  -9.690 -12.036  -3.128
   91    H4*    G   9           H4*        G   9  -9.154 -10.670  -5.082
   92    H3*    G   9           H3*        G   9  -7.130 -12.792  -4.366
   93    H2*    G   9           H2*        G   9  -6.043 -12.228  -6.478
   94   2HO*    G   9          2HO*        G   9  -8.302 -11.813  -7.395
   95    H1*    G   9           H1*        G   9  -6.129  -9.594  -6.135
   96    H8     G   9           H8         G   9  -5.766 -10.876  -2.656
   97    H1     G   9           H1         G   9  -0.233 -10.687  -5.928
   98   1H2     G   9          1H2         G   9  -2.342 -10.468  -8.702
   99   2H2     G   9          2H2         G   9  -0.682 -10.627  -8.120
  100   1H5*    C  10          1H5*        C  10  -7.618 -13.456  -8.491
  101   2H5*    C  10          2H5*        C  10  -7.842 -15.195  -8.743
  102    H4*    C  10           H4*        C  10  -5.893 -14.448  -9.986
  103    H3*    C  10           H3*        C  10  -5.161 -16.072  -7.519
  104    H2*    C  10           H2*        C  10  -2.933 -16.080  -8.359
  105   2HO*    C  10          2HO*        C  10  -3.803 -16.289 -10.625
  106    H1*    C  10           H1*        C  10  -2.971 -13.409  -9.084
  107   1H4     C  10          1H4         C  10  -1.880 -13.875  -2.531
  108   2H4     C  10          2H4         C  10  -0.314 -13.898  -3.336
  109    H5     C  10           H5         C  10  -3.995 -13.911  -3.816
  110    H6     C  10           H6         C  10  -4.927 -13.821  -6.044
  111    H3T    C  10           H3T        C  10  -6.397 -17.197  -9.050
  112   1H5*    G   1          1H5*        G   1  10.384 -14.209  -4.294
  113   2H5*    G   1          2H5*        G   1  10.892 -12.701  -5.071
  114    H4*    G   1           H4*        G   1   9.726 -14.006  -6.711
  115    H3*    G   1           H3*        G   1   7.965 -11.767  -5.663
  116    H2*    G   1           H2*        G   1   6.426 -12.372  -7.394
  117   2HO*    G   1          2HO*        G   1   8.276 -12.877  -8.889
  118    H1*    G   1           H1*        G   1   6.578 -15.008  -6.936
  119    H8     G   1           H8         G   1   6.822 -13.369  -3.544
  120    H1     G   1           H1         G   1   0.829 -13.894  -5.834
  121   1H2     G   1          1H2         G   1   2.468 -14.393  -8.882
  122   2H2     G   1          2H2         G   1   0.921 -14.191  -8.060
  123    H5T    G   1           H5T        G   1   9.239 -11.623  -4.030
  124   1H5*    C   2          1H5*        C   2   7.780 -11.253  -9.823
  125   2H5*    C   2          2H5*        C   2   7.794  -9.523 -10.200
  126    H4*    C   2           H4*        C   2   5.769 -10.633 -11.059
  127    H3*    C   2           H3*        C   2   5.303  -8.644  -8.829
  128    H2*    C   2           H2*        C   2   2.941  -8.921  -9.327
  129   2HO*    C   2          2HO*        C   2   3.383  -9.085 -11.670
  130    H1*    C   2           H1*        C   2   3.083 -11.649  -9.524
  131   1H4     C   2          1H4         C   2   2.914 -10.212  -3.044
  132   2H4     C   2          2H4         C   2   1.249 -10.331  -3.605
  133    H5     C   2           H5         C   2   4.818 -10.317  -4.624
  134    H6     C   2           H6         C   2   5.420 -10.655  -6.941
  135   1H5*    A   3          1H5*        A   3   2.957  -7.440 -12.306
  136   2H5*    A   3          2H5*        A   3   2.840  -5.673 -12.388
  137    H4*    A   3           H4*        A   3   0.611  -6.838 -12.208
  138    H3*    A   3           H3*        A   3   1.446  -4.984  -9.969
  139    H2*    A   3           H2*        A   3  -0.743  -5.289  -9.046
  140   2HO*    A   3          2HO*        A   3  -1.954  -5.199 -10.928
  141    H1*    A   3           H1*        A   3  -0.784  -8.015  -9.482
  142    H8     A   3           H8         A   3   2.685  -7.004  -8.268
  143   1H6     A   3          1H6         A   3   0.197  -7.583  -2.584
  144   2H6     A   3          2H6         A   3   1.706  -7.361  -3.466
  145    H2     A   3           H2         A   3  -3.106  -7.503  -5.497
  146   1H5*    G   4          1H5*        G   4  -2.641  -1.702 -11.295
  147   2H5*    G   4          2H5*        G   4  -2.026  -1.343  -9.668
  148    H4*    G   4           H4*        G   4  -4.402  -2.925 -10.509
  149    H3*    G   4           H3*        G   4  -3.521  -1.496  -7.974
  150    H2*    G   4           H2*        G   4  -5.401  -2.542  -6.903
  151   2HO*    G   4          2HO*        G   4  -6.655  -2.309  -9.007
  152    H1*    G   4           H1*        G   4  -4.905  -5.003  -8.041
  153    H8     G   4           H8         G   4  -5.152  -4.812  -5.301
  154    H1     G   4           H1         G   4   1.139  -3.541  -4.954
  155   1H2     G   4          1H2         G   4   0.851  -2.862  -8.381
  156   2H2     G   4          2H2         G   4   1.924  -2.982  -7.002
  157   1H5*    G   5          1H5*        G   5  -7.327  -1.015  -7.297
  158   2H5*    G   5          2H5*        G   5  -7.709   0.657  -6.856
  159    H4*    G   5           H4*        G   5  -8.272  -0.993  -5.078
  160    H3*    G   5           H3*        G   5  -6.144   1.060  -4.413
  161    H2*    G   5           H2*        G   5  -6.306   0.223  -2.139
  162   2HO*    G   5          2HO*        G   5  -8.701  -0.097  -2.466
  163    H1*    G   5           H1*        G   5  -6.333  -2.405  -2.869
  164    H8     G   5           H8         G   5  -3.793  -0.959  -5.211
  165    H1     G   5           H1         G   5  -1.667  -1.597   0.843
  166   1H2     G   5          1H2         G   5  -5.057  -1.921   1.587
  167   2H2     G   5          2H2         G   5  -3.419  -1.824   2.230
  168   1H5*    C   6          1H5*        C   6  -9.113   1.241  -1.262
  169   2H5*    C   6          2H5*        C   6  -9.381   2.928  -0.801
  170    H4*    C   6           H4*        C   6  -8.678   1.460   1.102
  171    H3*    C   6           H3*        C   6  -6.861   3.754   0.322
  172    H2*    C   6           H2*        C   6  -5.604   3.226   2.307
  173   2HO*    C   6          2HO*        C   6  -7.645   2.747   3.490
  174    H1*    C   6           H1*        C   6  -5.727   0.495   1.963
  175   1H4     C   6          1H4         C   6  -0.682   2.205  -1.906
  176   2H4     C   6          2H4         C   6  -0.016   1.871  -0.315
  177    H5     C   6           H5         C   6  -3.106   2.243  -2.334
  178    H6     C   6           H6         C   6  -5.279   1.937  -1.332
  179   1H5*    G   7          1H5*        G   7  -7.739   4.313   4.583
  180   2H5*    G   7          2H5*        G   7  -7.764   6.049   4.943
  181    H4*    G   7           H4*        G   7  -6.001   4.802   6.197
  182    H3*    G   7           H3*        G   7  -5.024   6.863   4.207
  183    H2*    G   7           H2*        G   7  -2.789   6.445   5.143
  184   2HO*    G   7          2HO*        G   7  -3.193   6.127   7.291
  185    H1*    G   7           H1*        G   7  -3.056   3.750   4.983
  186    H8     G   7           H8         G   7  -4.902   5.363   2.004
  187    H1     G   7           H1         G   7   1.447   4.659   1.241
  188   1H2     G   7          1H2         G   7   2.386   4.243   3.279
  189   2H2     G   7          2H2         G   7   1.355   3.981   4.673
  190   1H5*    U   8          1H5*        U   8  -3.622   7.624   8.359
  191   2H5*    U   8          2H5*        U   8  -3.306   9.347   8.633
  192    H4*    U   8           H4*        U   8  -1.337   7.847   9.075
  193    H3*    U   8           H3*        U   8  -1.008   9.869   6.832
  194    H2*    U   8           H2*        U   8   1.346   9.217   6.928
  195   2HO*    U   8          2HO*        U   8   1.221   8.914   9.315
  196    H1*    U   8           H1*        U   8   0.754   6.564   6.931
  197    H3     U   8           H3         U   8   2.402   7.407   2.774
  198    H5     U   8           H5         U   8  -1.537   8.870   2.654
  199    H6     U   8           H6         U   8  -1.710   8.505   5.017
  200   1H5*    G   9          1H5*        G   9   2.221  10.404   9.731
  201   2H5*    G   9          2H5*        G   9   2.547  12.132   9.925
  202    H4*    G   9           H4*        G   9   4.563  10.855   9.374
  203    H3*    G   9           H3*        G   9   3.677  12.841   7.278
  204    H2*    G   9           H2*        G   9   5.824  12.356   6.203
  205   2HO*    G   9          2HO*        G   9   6.778  12.080   8.462
  206    H1*    G   9           H1*        G   9   5.597   9.714   6.386
  207    H8     G   9           H8         G   9   2.059  10.825   6.036
  208    H1     G   9           H1         G   9   5.256  10.568   0.458
  209   1H2     G   9          1H2         G   9   8.067  10.509   2.527
  210   2H2     G   9          2H2         G   9   7.457  10.565   0.872
  211   1H5*    C  10          1H5*        C  10   7.742  13.749   7.721
  212   2H5*    C  10          2H5*        C  10   7.929  15.505   7.860
  213    H4*    C  10           H4*        C  10   9.215  14.709   5.959
  214    H3*    C  10           H3*        C  10   6.699  16.205   5.129
  215    H2*    C  10           H2*        C  10   7.553  16.127   2.908
  216   2HO*    C  10          2HO*        C  10   9.807  16.451   3.777
  217    H1*    C  10           H1*        C  10   8.349  13.485   3.078
  218   1H4     C  10          1H4         C  10   1.783  13.720   1.998
  219   2H4     C  10          2H4         C  10   2.580  13.703   0.428
  220    H5     C  10           H5         C  10   3.076  13.871   4.102
  221    H6     C  10           H6         C  10   5.305  13.880   5.025
  222    H3T    C  10           H3T        C  10   8.184  17.445   6.311
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1   3.174  15.238  -9.437
    2   2H5*    G   1          2H5*        G   1   3.959  13.814 -10.138
    3    H4*    G   1           H4*        G   1   5.624  15.030  -8.919
    4    H3*    G   1           H3*        G   1   4.712  12.596  -7.351
    5    H2*    G   1           H2*        G   1   6.506  13.091  -5.840
    6   2HO*    G   1          2HO*        G   1   7.900  13.815  -7.688
    7    H1*    G   1           H1*        G   1   5.978  15.710  -5.692
    8    H8     G   1           H8         G   1   2.621  13.992  -5.975
    9    H1     G   1           H1         G   1   5.096  14.105  -0.034
   10   1H2     G   1          1H2         G   1   8.073  14.826  -1.720
   11   2H2     G   1          2H2         G   1   7.305  14.492  -0.167
   12    H5T    G   1           H5T        G   1   3.026  12.538  -8.563
   13   1H5*    C   2          1H5*        C   2   8.916  12.178  -7.462
   14   2H5*    C   2          2H5*        C   2   9.315  10.464  -7.644
   15    H4*    C   2           H4*        C   2  10.278  11.428  -5.589
   16    H3*    C   2           H3*        C   2   8.143   9.331  -5.180
   17    H2*    C   2           H2*        C   2   8.752   9.417  -2.829
   18   2HO*    C   2          2HO*        C   2  11.051   9.678  -3.310
   19    H1*    C   2           H1*        C   2   8.858  12.149  -2.727
   20   1H4     C   2          1H4         C   2   2.434  10.515  -2.395
   21   2H4     C   2          2H4         C   2   3.064  10.528  -0.751
   22    H5     C   2           H5         C   2   3.919  10.811  -4.351
   23    H6     C   2           H6         C   2   6.193  11.261  -5.027
   24   1H5*    A   3          1H5*        A   3  11.859   8.066  -3.191
   25   2H5*    A   3          2H5*        A   3  11.990   6.297  -3.216
   26    H4*    A   3           H4*        A   3  11.969   7.299  -0.902
   27    H3*    A   3           H3*        A   3   9.763   5.397  -1.696
   28    H2*    A   3           H2*        A   3   8.967   5.502   0.556
   29   2HO*    A   3          2HO*        A   3  10.972   5.431   1.605
   30    H1*    A   3           H1*        A   3   9.260   8.232   0.782
   31    H8     A   3           H8         A   3   7.927   7.353  -2.701
   32   1H6     A   3          1H6         A   3   2.349   7.649   0.051
   33   2H6     A   3          2H6         A   3   3.172   7.517  -1.501
   34    H2     A   3           H2         A   3   5.411   7.556   3.219
   35   1H5*    G   4          1H5*        G   4  10.421   1.476   1.846
   36   2H5*    G   4          2H5*        G   4   9.066   2.335   1.095
   37    H4*    G   4           H4*        G   4  10.403   3.122   3.723
   38    H3*    G   4           H3*        G   4   7.824   1.679   3.047
   39    H2*    G   4           H2*        G   4   6.836   2.687   4.992
   40   2HO*    G   4          2HO*        G   4   9.040   2.532   6.098
   41    H1*    G   4           H1*        G   4   7.799   5.191   4.448
   42    H8     G   4           H8         G   4   5.068   4.705   4.762
   43    H1     G   4           H1         G   4   4.747   3.798  -1.596
   44   1H2     G   4          1H2         G   4   8.228   3.356  -1.335
   45   2H2     G   4          2H2         G   4   6.851   3.445  -2.422
   46   1H5*    G   5          1H5*        G   5   7.513   1.196   6.964
   47   2H5*    G   5          2H5*        G   5   7.187  -0.495   7.375
   48    H4*    G   5           H4*        G   5   5.408   1.082   8.135
   49    H3*    G   5           H3*        G   5   4.680  -1.065   6.134
   50    H2*    G   5           H2*        G   5   2.381  -0.353   6.385
   51   2HO*    G   5          2HO*        G   5   2.843   0.075   8.753
   52    H1*    G   5           H1*        G   5   2.911   2.307   6.286
   53    H8     G   5           H8         G   5   5.273   1.007   3.695
   54    H1     G   5           H1         G   5  -0.873   1.218   1.768
   55   1H2     G   5          1H2         G   5  -1.539   1.416   5.184
   56   2H2     G   5          2H2         G   5  -2.218   1.308   3.561
   57   1H5*    C   6          1H5*        C   6   1.672  -1.332   9.234
   58   2H5*    C   6          2H5*        C   6   1.405  -3.042   9.604
   59    H4*    C   6           H4*        C   6  -0.678  -1.872   8.902
   60    H3*    C   6           H3*        C   6   0.377  -4.102   7.160
   61    H2*    C   6           H2*        C   6  -1.557  -3.896   5.821
   62   2HO*    C   6          2HO*        C   6  -3.057  -3.733   7.535
   63    H1*    C   6           H1*        C   6  -1.724  -1.128   5.950
   64   1H4     C   6          1H4         C   6   2.315  -2.392   0.875
   65   2H4     C   6          2H4         C   6   0.700  -2.168   0.220
   66    H5     C   6           H5         C   6   2.753  -2.420   3.301
   67    H6     C   6           H6         C   6   1.735  -2.200   5.478
   68   1H5*    G   7          1H5*        G   7  -3.577  -7.623   7.226
   69   2H5*    G   7          2H5*        G   7  -2.279  -7.085   6.150
   70    H4*    G   7           H4*        G   7  -5.079  -5.890   6.299
   71    H3*    G   7           H3*        G   7  -3.656  -7.767   4.417
   72    H2*    G   7           H2*        G   7  -4.657  -6.693   2.487
   73   2HO*    G   7          2HO*        G   7  -6.696  -6.354   3.742
   74    H1*    G   7           H1*        G   7  -4.121  -4.166   3.292
   75    H8     G   7           H8         G   7  -1.151  -5.867   4.819
   76    H1     G   7           H1         G   7  -0.660  -5.064  -1.544
   77   1H2     G   7          1H2         G   7  -2.745  -4.616  -2.389
   78   2H2     G   7          2H2         G   7  -4.097  -4.413  -1.289
   79   1H5*    U   8          1H5*        U   8  -7.814  -7.748   3.232
   80   2H5*    U   8          2H5*        U   8  -8.345  -9.376   2.778
   81    H4*    U   8           H4*        U   8  -8.621  -7.702   0.955
   82    H3*    U   8           H3*        U   8  -6.615  -9.920   0.426
   83    H2*    U   8           H2*        U   8  -6.654  -9.096  -1.862
   84   2HO*    U   8          2HO*        U   8  -9.005  -8.555  -1.664
   85    H1*    U   8           H1*        U   8  -6.375  -6.505  -1.096
   86    H3     U   8           H3         U   8  -2.363  -7.722  -2.879
   87    H5     U   8           H5         U   8  -2.348  -9.347   1.003
   88    H6     U   8           H6         U   8  -4.660  -8.758   1.220
   89   1H5*    G   9          1H5*        G   9  -9.544  -9.959  -2.819
   90   2H5*    G   9          2H5*        G   9  -9.962 -11.643  -3.170
   91    H4*    G   9           H4*        G   9  -9.272 -10.444  -5.178
   92    H3*    G   9           H3*        G   9  -7.428 -12.664  -4.293
   93    H2*    G   9           H2*        G   9  -6.252 -12.299  -6.400
   94   2HO*    G   9          2HO*        G   9  -8.452 -11.771  -7.401
   95    H1*    G   9           H1*        G   9  -6.149  -9.652  -6.201
   96    H8     G   9           H8         G   9  -5.970 -10.763  -2.649
   97    H1     G   9           H1         G   9  -0.356 -11.102  -5.771
   98   1H2     G   9          1H2         G   9  -2.374 -10.857  -8.610
   99   2H2     G   9          2H2         G   9  -0.740 -11.071  -7.978
  100   1H5*    C  10          1H5*        C  10  -7.869 -13.506  -8.399
  101   2H5*    C  10          2H5*        C  10  -8.200 -15.238  -8.569
  102    H4*    C  10           H4*        C  10  -6.182 -14.678  -9.801
  103    H3*    C  10           H3*        C  10  -5.609 -16.229  -7.247
  104    H2*    C  10           H2*        C  10  -3.371 -16.426  -8.040
  105   2HO*    C  10          2HO*        C  10  -4.213 -16.679 -10.312
  106    H1*    C  10           H1*        C  10  -3.216 -13.794  -8.883
  107   1H4     C  10          1H4         C  10  -2.281 -14.042  -2.294
  108   2H4     C  10          2H4         C  10  -0.704 -14.188  -3.062
  109    H5     C  10           H5         C  10  -4.368 -13.997  -3.620
  110    H6     C  10           H6         C  10  -5.251 -13.942  -5.869
  111    H3T    C  10           H3T        C  10  -6.890 -17.340  -8.751
  112   1H5*    G   1          1H5*        G   1  10.057 -14.982  -3.817
  113   2H5*    G   1          2H5*        G   1  10.514 -13.389  -4.448
  114    H4*    G   1           H4*        G   1   9.414 -14.705  -6.182
  115    H3*    G   1           H3*        G   1   7.785 -12.358  -5.167
  116    H2*    G   1           H2*        G   1   6.243 -12.861  -6.953
  117   2HO*    G   1          2HO*        G   1   8.108 -13.478  -8.384
  118    H1*    G   1           H1*        G   1   6.203 -15.502  -6.533
  119    H8     G   1           H8         G   1   6.442 -13.880  -3.111
  120    H1     G   1           H1         G   1   0.491 -14.248  -5.538
  121   1H2     G   1          1H2         G   1   2.181 -14.820  -8.545
  122   2H2     G   1          2H2         G   1   0.620 -14.591  -7.756
  123    H5T    G   1           H5T        G   1   9.572 -13.133  -2.430
  124   1H5*    C   2          1H5*        C   2   7.758 -11.909  -9.434
  125   2H5*    C   2          2H5*        C   2   7.855 -10.185  -9.820
  126    H4*    C   2           H4*        C   2   5.811 -11.231 -10.730
  127    H3*    C   2           H3*        C   2   5.358  -9.178  -8.556
  128    H2*    C   2           H2*        C   2   3.002  -9.364  -9.145
  129   2HO*    C   2          2HO*        C   2   3.498  -9.597 -11.457
  130    H1*    C   2           H1*        C   2   3.042 -12.100  -9.268
  131   1H4     C   2          1H4         C   2   2.708 -10.582  -2.819
  132   2H4     C   2          2H4         C   2   1.059 -10.682  -3.427
  133    H5     C   2           H5         C   2   4.657 -10.725  -4.337
  134    H6     C   2           H6         C   2   5.327 -11.090  -6.627
  135   1H5*    A   3          1H5*        A   3   3.224  -7.974 -12.182
  136   2H5*    A   3          2H5*        A   3   3.158  -6.207 -12.310
  137    H4*    A   3           H4*        A   3   0.897  -7.310 -12.230
  138    H3*    A   3           H3*        A   3   1.641  -5.414  -9.999
  139    H2*    A   3           H2*        A   3  -0.606  -5.638  -9.197
  140   2HO*    A   3          2HO*        A   3  -1.661  -5.592 -11.204
  141    H1*    A   3           H1*        A   3  -0.680  -8.375  -9.530
  142    H8     A   3           H8         A   3   2.769  -7.357  -8.234
  143   1H6     A   3          1H6         A   3   0.133  -7.867  -2.617
  144   2H6     A   3          2H6         A   3   1.661  -7.644  -3.465
  145    H2     A   3           H2         A   3  -3.092  -7.857  -5.623
  146   1H5*    G   4          1H5*        G   4  -2.075  -1.640 -10.544
  147   2H5*    G   4          2H5*        G   4  -1.258  -2.470  -9.208
  148    H4*    G   4           H4*        G   4  -3.872  -3.368 -10.500
  149    H3*    G   4           H3*        G   4  -3.206  -1.961  -7.895
  150    H2*    G   4           H2*        G   4  -5.107  -3.074  -6.920
  151   2HO*    G   4          2HO*        G   4  -6.237  -2.916  -9.108
  152    H1*    G   4           H1*        G   4  -4.438  -5.524  -7.938
  153    H8     G   4           H8         G   4  -4.740  -5.066  -5.186
  154    H1     G   4           H1         G   4   1.582  -3.910  -4.960
  155   1H2     G   4          1H2         G   4   1.241  -3.429  -8.429
  156   2H2     G   4          2H2         G   4   2.356  -3.494  -7.073
  157   1H5*    G   5          1H5*        G   5  -7.060  -1.635  -7.459
  158   2H5*    G   5          2H5*        G   5  -7.554   0.027  -7.094
  159    H4*    G   5           H4*        G   5  -8.159  -1.613  -5.311
  160    H3*    G   5           H3*        G   5  -6.226   0.604  -4.591
  161    H2*    G   5           H2*        G   5  -6.432  -0.169  -2.302
  162   2HO*    G   5          2HO*        G   5  -8.784  -0.685  -2.751
  163    H1*    G   5           H1*        G   5  -6.227  -2.811  -2.920
  164    H8     G   5           H8         G   5  -3.714  -1.319  -5.248
  165    H1     G   5           H1         G   5  -1.725  -1.663   0.872
  166   1H2     G   5          1H2         G   5  -5.123  -2.034   1.556
  167   2H2     G   5          2H2         G   5  -3.500  -1.879   2.226
  168   1H5*    C   6          1H5*        C   6  -9.268   0.688  -1.549
  169   2H5*    C   6          2H5*        C   6  -9.705   2.370  -1.212
  170    H4*    C   6           H4*        C   6  -8.913   1.157   0.815
  171    H3*    C   6           H3*        C   6  -7.241   3.472  -0.178
  172    H2*    C   6           H2*        C   6  -5.914   3.235   1.770
  173   2HO*    C   6          2HO*        C   6  -7.633   2.941   3.243
  174    H1*    C   6           H1*        C   6  -5.942   0.459   1.787
  175   1H4     C   6          1H4         C   6  -0.950   2.096  -2.221
  176   2H4     C   6          2H4         C   6  -0.273   1.851  -0.619
  177    H5     C   6           H5         C   6  -3.374   2.026  -2.644
  178    H6     C   6           H6         C   6  -5.533   1.680  -1.625
  179   1H5*    G   7          1H5*        G   7  -7.443   6.836   3.946
  180   2H5*    G   7          2H5*        G   7  -6.333   6.432   2.627
  181    H4*    G   7           H4*        G   7  -6.440   5.088   5.359
  182    H3*    G   7           H3*        G   7  -4.612   7.072   4.015
  183    H2*    G   7           H2*        G   7  -2.650   6.006   4.960
  184   2HO*    G   7          2HO*        G   7  -3.942   5.518   6.974
  185    H1*    G   7           H1*        G   7  -3.383   3.495   4.286
  186    H8     G   7           H8         G   7  -5.014   5.266   1.424
  187    H1     G   7           H1         G   7   1.369   4.760   0.824
  188   1H2     G   7          1H2         G   7   2.259   4.249   2.878
  189   2H2     G   7          2H2         G   7   1.185   3.938   4.231
  190   1H5*    U   8          1H5*        U   8  -3.335   6.881   8.095
  191   2H5*    U   8          2H5*        U   8  -2.945   8.492   8.723
  192    H4*    U   8           H4*        U   8  -1.038   6.903   8.856
  193    H3*    U   8           H3*        U   8  -0.651   9.235   6.945
  194    H2*    U   8           H2*        U   8   1.673   8.512   6.927
  195   2HO*    U   8          2HO*        U   8   1.535   7.853   9.250
  196    H1*    U   8           H1*        U   8   1.003   5.906   6.530
  197    H3     U   8           H3         U   8   2.677   7.399   2.558
  198    H5     U   8           H5         U   8  -1.280   8.827   2.668
  199    H6     U   8           H6         U   8  -1.430   8.127   4.957
  200   1H5*    G   9          1H5*        G   9   2.609   9.292   9.825
  201   2H5*    G   9          2H5*        G   9   2.930  10.967  10.301
  202    H4*    G   9           H4*        G   9   4.949   9.837   9.521
  203    H3*    G   9           H3*        G   9   3.990  12.095   7.757
  204    H2*    G   9           H2*        G   9   6.113  11.810   6.575
  205   2HO*    G   9          2HO*        G   9   7.134  11.227   8.741
  206    H1*    G   9           H1*        G   9   5.926   9.168   6.367
  207    H8     G   9           H8         G   9   2.362  10.239   6.273
  208    H1     G   9           H1         G   9   5.416  10.931   0.654
  209   1H2     G   9          1H2         G   9   8.281  10.590   2.620
  210   2H2     G   9          2H2         G   9   7.627  10.897   1.010
  211   1H5*    C  10          1H5*        C  10   8.063  13.014   8.278
  212   2H5*    C  10          2H5*        C  10   8.226  14.747   8.613
  213    H4*    C  10           H4*        C  10   9.483  14.124   6.600
  214    H3*    C  10           H3*        C  10   7.040  15.857   6.112
  215    H2*    C  10           H2*        C  10   7.715  16.012   3.843
  216   2HO*    C  10          2HO*        C  10   9.764  15.247   3.151
  217    H1*    C  10           H1*        C  10   8.474  13.343   3.608
  218   1H4     C  10          1H4         C  10   1.911  13.753   2.756
  219   2H4     C  10          2H4         C  10   2.660  13.980   1.180
  220    H5     C  10           H5         C  10   3.260  13.605   4.824
  221    H6     C  10           H6         C  10   5.518  13.488   5.676
  222    H3T    C  10           H3T        C  10   9.737  16.567   5.854
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1   2.569  12.807 -10.354
    2   2H5*    G   1          2H5*        G   1   3.397  11.300 -10.780
    3    H4*    G   1           H4*        G   1   5.026  12.788  -9.836
    4    H3*    G   1           H3*        G   1   4.220  10.651  -7.837
    5    H2*    G   1           H2*        G   1   5.993  11.485  -6.461
    6   2HO*    G   1          2HO*        G   1   7.351  11.904  -8.431
    7    H1*    G   1           H1*        G   1   5.376  14.068  -6.798
    8    H8     G   1           H8         G   1   2.076  12.238  -6.705
    9    H1     G   1           H1         G   1   4.636  13.425  -0.920
   10   1H2     G   1          1H2         G   1   7.566  13.927  -2.758
   11   2H2     G   1          2H2         G   1   6.833  13.832  -1.157
   12    H5T    G   1           H5T        G   1   2.515  10.319  -8.983
   13   1H5*    C   2          1H5*        C   2   8.436  10.387  -7.910
   14   2H5*    C   2          2H5*        C   2   8.913   8.689  -7.768
   15    H4*    C   2           H4*        C   2   9.809  10.098  -5.932
   16    H3*    C   2           H3*        C   2   7.846   7.937  -5.165
   17    H2*    C   2           H2*        C   2   8.343   8.496  -2.872
   18   2HO*    C   2          2HO*        C   2  10.658   8.849  -3.444
   19    H1*    C   2           H1*        C   2   8.311  11.214  -3.247
   20   1H4     C   2          1H4         C   2   1.975   9.390  -2.570
   21   2H4     C   2          2H4         C   2   2.616   9.717  -0.965
   22    H5     C   2           H5         C   2   3.445   9.408  -4.573
   23    H6     C   2           H6         C   2   5.702   9.819  -5.337
   24   1H5*    A   3          1H5*        A   3  11.451   7.353  -2.736
   25   2H5*    A   3          2H5*        A   3  11.692   5.616  -2.471
   26    H4*    A   3           H4*        A   3  11.363   6.938  -0.353
   27    H3*    A   3           H3*        A   3   9.383   4.775  -1.071
   28    H2*    A   3           H2*        A   3   8.298   5.173   1.018
   29   2HO*    A   3          2HO*        A   3   9.869   5.433   2.486
   30    H1*    A   3           H1*        A   3   8.453   7.915   0.895
   31    H8     A   3           H8         A   3   7.526   6.405  -2.518
   32   1H6     A   3          1H6         A   3   1.699   6.428  -0.320
   33   2H6     A   3          2H6         A   3   2.689   6.219  -1.758
   34    H2     A   3           H2         A   3   4.414   7.501   3.006
   35   1H5*    G   4          1H5*        G   4  11.407   4.029   3.048
   36   2H5*    G   4          2H5*        G   4  11.382   2.276   3.322
   37    H4*    G   4           H4*        G   4  10.336   3.582   5.169
   38    H3*    G   4           H3*        G   4   8.436   1.781   3.631
   39    H2*    G   4           H2*        G   4   6.856   2.310   5.364
   40   2HO*    G   4          2HO*        G   4   8.709   2.220   6.976
   41    H1*    G   4           H1*        G   4   7.668   4.982   5.555
   42    H8     G   4           H8         G   4   5.117   5.226   5.452
   43    H1     G   4           H1         G   4   4.718   2.732  -0.456
   44   1H2     G   4          1H2         G   4   8.176   2.270  -0.134
   45   2H2     G   4          2H2         G   4   6.765   2.087  -1.153
   46   1H5*    G   5          1H5*        G   5   7.800   0.686   7.733
   47   2H5*    G   5          2H5*        G   5   7.497  -1.053   7.818
   48    H4*    G   5           H4*        G   5   5.647   0.415   8.707
   49    H3*    G   5           H3*        G   5   5.063  -1.520   6.459
   50    H2*    G   5           H2*        G   5   2.731  -0.912   6.738
   51   2HO*    G   5          2HO*        G   5   3.112  -0.728   9.142
   52    H1*    G   5           H1*        G   5   3.183   1.755   6.928
   53    H8     G   5           H8         G   5   5.610   0.628   4.267
   54    H1     G   5           H1         G   5  -0.495   1.089   2.253
   55   1H2     G   5          1H2         G   5  -1.221   1.110   5.661
   56   2H2     G   5          2H2         G   5  -1.870   1.128   4.023
   57   1H5*    C   6          1H5*        C   6   2.031  -2.165   9.528
   58   2H5*    C   6          2H5*        C   6   1.739  -3.902   9.682
   59    H4*    C   6           H4*        C   6  -0.320  -2.589   9.138
   60    H3*    C   6           H3*        C   6   0.654  -4.668   7.179
   61    H2*    C   6           H2*        C   6  -1.296  -4.284   5.897
   62   2HO*    C   6          2HO*        C   6  -2.765  -4.231   7.643
   63    H1*    C   6           H1*        C   6  -1.366  -1.537   6.268
   64   1H4     C   6          1H4         C   6   2.614  -2.543   1.081
   65   2H4     C   6          2H4         C   6   1.008  -2.222   0.448
   66    H5     C   6           H5         C   6   3.058  -2.750   3.492
   67    H6     C   6           H6         C   6   2.056  -2.661   5.684
   68   1H5*    G   7          1H5*        G   7  -3.481  -8.047   7.056
   69   2H5*    G   7          2H5*        G   7  -2.175  -7.511   5.989
   70    H4*    G   7           H4*        G   7  -4.900  -6.180   6.290
   71    H3*    G   7           H3*        G   7  -3.604  -7.973   4.244
   72    H2*    G   7           H2*        G   7  -4.535  -6.694   2.413
   73   2HO*    G   7          2HO*        G   7  -6.552  -6.349   3.720
   74    H1*    G   7           H1*        G   7  -3.874  -4.266   3.412
   75    H8     G   7           H8         G   7  -0.987  -6.218   4.787
   76    H1     G   7           H1         G   7  -0.460  -4.931  -1.492
   77   1H2     G   7          1H2         G   7  -2.526  -4.343  -2.295
   78   2H2     G   7          2H2         G   7  -3.869  -4.166  -1.179
   79   1H5*    U   8          1H5*        U   8  -7.745  -7.647   3.069
   80   2H5*    U   8          2H5*        U   8  -8.358  -9.213   2.510
   81    H4*    U   8           H4*        U   8  -8.534  -7.429   0.790
   82    H3*    U   8           H3*        U   8  -6.610  -9.689   0.144
   83    H2*    U   8           H2*        U   8  -6.583  -8.723  -2.088
   84   2HO*    U   8          2HO*        U   8  -8.914  -8.101  -1.883
   85    H1*    U   8           H1*        U   8  -6.212  -6.199  -1.157
   86    H3     U   8           H3         U   8  -2.217  -7.447  -2.947
   87    H5     U   8           H5         U   8  -2.334  -9.325   0.817
   88    H6     U   8           H6         U   8  -4.626  -8.667   1.033
   89   1H5*    G   9          1H5*        G   9  -9.485  -9.414  -3.138
   90   2H5*    G   9          2H5*        G   9  -9.962 -11.056  -3.595
   91    H4*    G   9           H4*        G   9  -9.194  -9.773  -5.518
   92    H3*    G   9           H3*        G   9  -7.444 -12.106  -4.737
   93    H2*    G   9           H2*        G   9  -6.222 -11.663  -6.802
   94   2HO*    G   9          2HO*        G   9  -8.385 -10.999  -7.803
   95    H1*    G   9           H1*        G   9  -6.030  -9.037  -6.449
   96    H8     G   9           H8         G   9  -5.947 -10.364  -2.966
   97    H1     G   9           H1         G   9  -0.298 -10.707  -6.022
   98   1H2     G   9          1H2         G   9  -2.260 -10.232  -8.870
   99   2H2     G   9          2H2         G   9  -0.645 -10.541  -8.228
  100   1H5*    C  10          1H5*        C  10  -7.843 -12.693  -8.892
  101   2H5*    C  10          2H5*        C  10  -8.231 -14.399  -9.168
  102    H4*    C  10           H4*        C  10  -6.174 -13.842 -10.334
  103    H3*    C  10           H3*        C  10  -5.698 -15.556  -7.867
  104    H2*    C  10           H2*        C  10  -3.456 -15.788  -8.637
  105   2HO*    C  10          2HO*        C  10  -4.269 -15.880 -10.932
  106    H1*    C  10           H1*        C  10  -3.195 -13.118  -9.324
  107   1H4     C  10          1H4         C  10  -2.377 -13.770  -2.747
  108   2H4     C  10          2H4         C  10  -0.794 -13.926  -3.500
  109    H5     C  10           H5         C  10  -4.439 -13.580  -4.098
  110    H6     C  10           H6         C  10  -5.283 -13.367  -6.354
  111    H3T    C  10           H3T        C  10  -6.993 -16.532  -9.451
  112   1H5*    G   1          1H5*        G   1   9.859 -14.998  -4.061
  113   2H5*    G   1          2H5*        G   1  10.540 -13.517  -4.754
  114    H4*    G   1           H4*        G   1   9.338 -14.645  -6.494
  115    H3*    G   1           H3*        G   1   7.738 -12.295  -5.432
  116    H2*    G   1           H2*        G   1   6.235 -12.692  -7.254
  117   2HO*    G   1          2HO*        G   1   8.094 -13.304  -8.689
  118    H1*    G   1           H1*        G   1   6.128 -15.345  -6.898
  119    H8     G   1           H8         G   1   6.362 -13.845  -3.436
  120    H1     G   1           H1         G   1   0.438 -13.902  -5.955
  121   1H2     G   1          1H2         G   1   2.152 -14.399  -8.961
  122   2H2     G   1          2H2         G   1   0.590 -14.144  -8.184
  123    H5T    G   1           H5T        G   1   8.945 -12.326  -3.745
  124   1H5*    C   2          1H5*        C   2   7.835 -11.600  -9.579
  125   2H5*    C   2          2H5*        C   2   8.000  -9.863  -9.879
  126    H4*    C   2           H4*        C   2   5.943 -10.782 -10.883
  127    H3*    C   2           H3*        C   2   5.510  -8.845  -8.600
  128    H2*    C   2           H2*        C   2   3.161  -8.929  -9.224
  129   2HO*    C   2          2HO*        C   2   3.680  -9.037 -11.542
  130    H1*    C   2           H1*        C   2   3.117 -11.652  -9.516
  131   1H4     C   2          1H4         C   2   2.736 -10.461  -2.996
  132   2H4     C   2          2H4         C   2   1.094 -10.458  -3.633
  133    H5     C   2           H5         C   2   4.701 -10.619  -4.492
  134    H6     C   2           H6         C   2   5.391 -10.902  -6.789
  135   1H5*    A   3          1H5*        A   3   3.467  -7.376 -12.181
  136   2H5*    A   3          2H5*        A   3   3.456  -5.603 -12.212
  137    H4*    A   3           H4*        A   3   1.162  -6.648 -12.221
  138    H3*    A   3           H3*        A   3   1.930  -4.883  -9.892
  139    H2*    A   3           H2*        A   3  -0.329  -5.084  -9.121
  140   2HO*    A   3          2HO*        A   3  -1.362  -4.908 -11.132
  141    H1*    A   3           H1*        A   3  -0.480  -7.798  -9.590
  142    H8     A   3           H8         A   3   2.985  -6.960  -8.211
  143   1H6     A   3          1H6         A   3   0.265  -7.666  -2.655
  144   2H6     A   3          2H6         A   3   1.809  -7.448  -3.472
  145    H2     A   3           H2         A   3  -2.920  -7.387  -5.689
  146   1H5*    G   4          1H5*        G   4  -1.666  -0.980 -10.289
  147   2H5*    G   4          2H5*        G   4  -0.886  -1.896  -8.987
  148    H4*    G   4           H4*        G   4  -3.519  -2.647 -10.334
  149    H3*    G   4           H3*        G   4  -2.822  -1.385  -7.663
  150    H2*    G   4           H2*        G   4  -4.761  -2.478  -6.746
  151   2HO*    G   4          2HO*        G   4  -5.876  -2.178  -8.927
  152    H1*    G   4           H1*        G   4  -4.173  -4.900  -7.879
  153    H8     G   4           H8         G   4  -4.473  -4.571  -5.111
  154    H1     G   4           H1         G   4   1.880  -3.631  -4.800
  155   1H2     G   4          1H2         G   4   1.575  -2.964  -8.242
  156   2H2     G   4          2H2         G   4   2.679  -3.131  -6.886
  157   1H5*    G   5          1H5*        G   5  -6.661  -0.944  -7.208
  158   2H5*    G   5          2H5*        G   5  -7.092   0.719  -6.776
  159    H4*    G   5           H4*        G   5  -7.762  -0.957  -5.057
  160    H3*    G   5           H3*        G   5  -5.720   1.130  -4.248
  161    H2*    G   5           H2*        G   5  -5.975   0.271  -1.995
  162   2HO*    G   5          2HO*        G   5  -8.345  -0.098  -2.448
  163    H1*    G   5           H1*        G   5  -5.904  -2.348  -2.726
  164    H8     G   5           H8         G   5  -3.314  -0.831  -4.968
  165    H1     G   5           H1         G   5  -1.357  -1.665   1.117
  166   1H2     G   5          1H2         G   5  -4.766  -1.959   1.775
  167   2H2     G   5          2H2         G   5  -3.140  -1.916   2.452
  168   1H5*    C   6          1H5*        C   6  -8.859   1.240  -1.266
  169   2H5*    C   6          2H5*        C   6  -9.170   2.919  -0.798
  170    H4*    C   6           H4*        C   6  -8.523   1.451   1.120
  171    H3*    C   6           H3*        C   6  -6.680   3.752   0.422
  172    H2*    C   6           H2*        C   6  -5.499   3.210   2.449
  173   2HO*    C   6          2HO*        C   6  -7.557   2.725   3.574
  174    H1*    C   6           H1*        C   6  -5.596   0.484   2.073
  175   1H4     C   6          1H4         C   6  -0.452   2.284  -1.630
  176   2H4     C   6          2H4         C   6   0.175   1.879  -0.041
  177    H5     C   6           H5         C   6  -2.864   2.365  -2.110
  178    H6     C   6           H6         C   6  -5.060   2.034  -1.174
  179   1H5*    G   7          1H5*        G   7  -7.799   4.282   4.656
  180   2H5*    G   7          2H5*        G   7  -7.799   6.012   5.046
  181    H4*    G   7           H4*        G   7  -6.139   4.668   6.364
  182    H3*    G   7           H3*        G   7  -5.041   6.815   4.532
  183    H2*    G   7           H2*        G   7  -2.857   6.306   5.494
  184   2HO*    G   7          2HO*        G   7  -3.880   5.887   7.643
  185    H1*    G   7           H1*        G   7  -3.151   3.610   5.263
  186    H8     G   7           H8         G   7  -4.791   5.351   2.231
  187    H1     G   7           H1         G   7   1.588   4.618   1.853
  188   1H2     G   7          1H2         G   7   2.385   4.163   3.946
  189   2H2     G   7          2H2         G   7   1.262   3.802   5.251
  190   1H5*    U   8          1H5*        U   8  -3.367   7.372   8.541
  191   2H5*    U   8          2H5*        U   8  -3.089   9.089   8.861
  192    H4*    U   8           H4*        U   8  -1.035   7.671   9.019
  193    H3*    U   8           H3*        U   8  -1.010   9.801   6.851
  194    H2*    U   8           H2*        U   8   1.336   9.253   6.669
  195   2HO*    U   8          2HO*        U   8   1.591   8.894   8.994
  196    H1*    U   8           H1*        U   8   0.904   6.586   6.619
  197    H3     U   8           H3         U   8   1.979   7.675   2.319
  198    H5     U   8           H5         U   8  -2.006   8.931   2.743
  199    H6     U   8           H6         U   8  -1.883   8.426   5.087
  200   1H5*    G   9          1H5*        G   9   2.346  10.421   9.691
  201   2H5*    G   9          2H5*        G   9   2.620  12.161   9.875
  202    H4*    G   9           H4*        G   9   4.659  10.960   9.244
  203    H3*    G   9           H3*        G   9   3.625  12.886   7.159
  204    H2*    G   9           H2*        G   9   5.743  12.452   6.010
  205   2HO*    G   9          2HO*        G   9   6.799  12.241   8.228
  206    H1*    G   9           H1*        G   9   5.601   9.805   6.238
  207    H8     G   9           H8         G   9   2.030  10.946   5.994
  208    H1     G   9           H1         G   9   5.027  10.377   0.330
  209   1H2     G   9          1H2         G   9   7.912  10.417   2.295
  210   2H2     G   9          2H2         G   9   7.237  10.416   0.663
  211   1H5*    C  10          1H5*        C  10   7.684  13.912   7.403
  212   2H5*    C  10          2H5*        C  10   7.829  15.675   7.474
  213    H4*    C  10           H4*        C  10   9.052  14.841   5.547
  214    H3*    C  10           H3*        C  10   6.469  16.248   4.773
  215    H2*    C  10           H2*        C  10   7.243  16.117   2.520
  216   2HO*    C  10          2HO*        C  10   9.518  16.518   3.292
  217    H1*    C  10           H1*        C  10   8.102  13.499   2.749
  218   1H4     C  10          1H4         C  10   1.495  13.552   1.927
  219   2H4     C  10          2H4         C  10   2.227  13.471   0.329
  220    H5     C  10           H5         C  10   2.862  13.836   3.965
  221    H6     C  10           H6         C  10   5.125  13.922   4.799
  222    H3T    C  10           H3T        C  10   7.967  17.563   5.852
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1   3.234  13.273 -10.309
    2   2H5*    G   1          2H5*        G   1   4.011  11.743 -10.746
    3    H4*    G   1           H4*        G   1   5.664  13.122  -9.690
    4    H3*    G   1           H3*        G   1   4.672  10.976  -7.787
    5    H2*    G   1           H2*        G   1   6.428  11.683  -6.317
    6   2HO*    G   1          2HO*        G   1   7.882  12.092  -8.218
    7    H1*    G   1           H1*        G   1   5.940  14.300  -6.602
    8    H8     G   1           H8         G   1   2.562  12.609  -6.705
    9    H1     G   1           H1         G   1   4.907  13.569  -0.788
   10   1H2     G   1          1H2         G   1   7.933  13.986  -2.490
   11   2H2     G   1          2H2         G   1   7.127  13.896  -0.923
   12    H5T    G   1           H5T        G   1   3.010  10.752  -9.018
   13   1H5*    C   2          1H5*        C   2   8.874  10.517  -7.695
   14   2H5*    C   2          2H5*        C   2   9.257   8.792  -7.600
   15    H4*    C   2           H4*        C   2  10.174  10.059  -5.689
   16    H3*    C   2           H3*        C   2   8.017   8.048  -5.036
   17    H2*    C   2           H2*        C   2   8.548   8.485  -2.711
   18   2HO*    C   2          2HO*        C   2  10.865   8.657  -3.153
   19    H1*    C   2           H1*        C   2   8.692  11.204  -3.013
   20   1H4     C   2          1H4         C   2   2.240   9.715  -2.586
   21   2H4     C   2          2H4         C   2   2.837   9.960  -0.948
   22    H5     C   2           H5         C   2   3.770   9.703  -4.530
   23    H6     C   2           H6         C   2   6.065  10.018  -5.215
   24   1H5*    A   3          1H5*        A   3  11.668   7.081  -2.754
   25   2H5*    A   3          2H5*        A   3  11.779   5.327  -2.516
   26    H4*    A   3           H4*        A   3  11.682   6.669  -0.374
   27    H3*    A   3           H3*        A   3   9.519   4.646  -0.972
   28    H2*    A   3           H2*        A   3   8.608   5.105   1.194
   29   2HO*    A   3          2HO*        A   3  10.370   5.233   2.488
   30    H1*    A   3           H1*        A   3   8.927   7.832   1.039
   31    H8     A   3           H8         A   3   7.675   6.467  -2.317
   32   1H6     A   3          1H6         A   3   2.034   7.243   0.236
   33   2H6     A   3          2H6         A   3   2.878   6.861  -1.261
   34    H2     A   3           H2         A   3   5.031   7.590   3.442
   35   1H5*    G   4          1H5*        G   4  11.544   3.698   3.034
   36   2H5*    G   4          2H5*        G   4  11.427   1.944   3.265
   37    H4*    G   4           H4*        G   4  10.431   3.255   5.134
   38    H3*    G   4           H3*        G   4   8.455   1.594   3.535
   39    H2*    G   4           H2*        G   4   6.905   2.135   5.292
   40   2HO*    G   4          2HO*        G   4   8.752   1.916   6.896
   41    H1*    G   4           H1*        G   4   7.833   4.762   5.552
   42    H8     G   4           H8         G   4   5.268   5.025   5.495
   43    H1     G   4           H1         G   4   4.840   3.001  -0.588
   44   1H2     G   4          1H2         G   4   8.258   2.311  -0.253
   45   2H2     G   4          2H2         G   4   6.858   2.292  -1.304
   46   1H5*    G   5          1H5*        G   5   7.742   0.404   7.576
   47   2H5*    G   5          2H5*        G   5   7.363  -1.321   7.607
   48    H4*    G   5           H4*        G   5   5.569   0.191   8.525
   49    H3*    G   5           H3*        G   5   4.924  -1.627   6.197
   50    H2*    G   5           H2*        G   5   2.621  -0.929   6.487
   51   2HO*    G   5          2HO*        G   5   2.969  -0.875   8.893
   52    H1*    G   5           H1*        G   5   3.187   1.708   6.800
   53    H8     G   5           H8         G   5   5.565   0.614   4.088
   54    H1     G   5           H1         G   5  -0.537   1.233   2.101
   55   1H2     G   5          1H2         G   5  -1.245   1.247   5.513
   56   2H2     G   5          2H2         G   5  -1.903   1.267   3.879
   57   1H5*    C   6          1H5*        C   6   1.908  -2.316   9.282
   58   2H5*    C   6          2H5*        C   6   1.502  -4.037   9.331
   59    H4*    C   6           H4*        C   6  -0.454  -2.519   8.886
   60    H3*    C   6           H3*        C   6   0.301  -4.604   6.829
   61    H2*    C   6           H2*        C   6  -1.691  -3.977   5.644
   62   2HO*    C   6          2HO*        C   6  -2.855  -3.719   7.745
   63    H1*    C   6           H1*        C   6  -1.404  -1.270   6.025
   64   1H4     C   6          1H4         C   6   2.447  -2.454   0.813
   65   2H4     C   6          2H4         C   6   0.846  -2.071   0.196
   66    H5     C   6           H5         C   6   2.897  -2.716   3.222
   67    H6     C   6           H6         C   6   1.911  -2.625   5.418
   68   1H5*    G   7          1H5*        G   7  -3.957  -5.294   7.634
   69   2H5*    G   7          2H5*        G   7  -4.279  -7.030   7.476
   70    H4*    G   7           H4*        G   7  -5.535  -5.619   5.837
   71    H3*    G   7           H3*        G   7  -3.531  -7.576   4.698
   72    H2*    G   7           H2*        G   7  -4.445  -6.961   2.490
   73   2HO*    G   7          2HO*        G   7  -6.528  -6.556   2.647
   74    H1*    G   7           H1*        G   7  -4.268  -4.309   2.993
   75    H8     G   7           H8         G   7  -1.312  -6.022   4.773
   76    H1     G   7           H1         G   7  -0.461  -4.905  -1.506
   77   1H2     G   7          1H2         G   7  -2.476  -4.426  -2.443
   78   2H2     G   7          2H2         G   7  -3.898  -4.292  -1.430
   79   1H5*    U   8          1H5*        U   8  -7.733  -8.130   3.346
   80   2H5*    U   8          2H5*        U   8  -8.081  -9.798   2.851
   81    H4*    U   8           H4*        U   8  -8.572  -8.056   1.099
   82    H3*    U   8           H3*        U   8  -6.455 -10.123   0.421
   83    H2*    U   8           H2*        U   8  -6.609  -9.198  -1.836
   84   2HO*    U   8          2HO*        U   8  -8.973  -8.802  -1.552
   85    H1*    U   8           H1*        U   8  -6.445  -6.634  -0.953
   86    H3     U   8           H3         U   8  -2.403  -7.457  -2.865
   87    H5     U   8           H5         U   8  -2.209  -9.370   0.877
   88    H6     U   8           H6         U   8  -4.541  -8.940   1.183
   89   1H5*    G   9          1H5*        G   9  -9.472 -10.189  -2.741
   90   2H5*    G   9          2H5*        G   9  -9.791 -11.875  -3.177
   91    H4*    G   9           H4*        G   9  -9.221 -10.523  -5.126
   92    H3*    G   9           H3*        G   9  -7.225 -12.672  -4.405
   93    H2*    G   9           H2*        G   9  -6.124 -12.115  -6.510
   94   2HO*    G   9          2HO*        G   9  -8.362 -11.679  -7.448
   95    H1*    G   9           H1*        G   9  -6.173  -9.485  -6.159
   96    H8     G   9           H8         G   9  -5.850 -10.796  -2.683
   97    H1     G   9           H1         G   9  -0.297 -10.671  -5.921
   98   1H2     G   9          1H2         G   9  -2.381 -10.358  -8.705
   99   2H2     G   9          2H2         G   9  -0.729 -10.554  -8.114
  100   1H5*    C  10          1H5*        C  10  -7.762 -13.337  -8.550
  101   2H5*    C  10          2H5*        C  10  -7.931 -15.083  -8.810
  102    H4*    C  10           H4*        C  10  -6.003 -14.192 -10.045
  103    H3*    C  10           H3*        C  10  -5.321 -16.017  -7.719
  104    H2*    C  10           H2*        C  10  -3.059 -15.919  -8.426
  105   2HO*    C  10          2HO*        C  10  -2.471 -14.973 -10.430
  106    H1*    C  10           H1*        C  10  -3.093 -13.199  -9.037
  107   1H4     C  10          1H4         C  10  -2.045 -13.896  -2.524
  108   2H4     C  10          2H4         C  10  -0.473 -13.912  -3.315
  109    H5     C  10           H5         C  10  -4.151 -13.892  -3.821
  110    H6     C  10           H6         C  10  -5.067 -13.738  -6.056
  111    H3T    C  10           H3T        C  10  -5.041 -16.538 -10.457
  112   1H5*    G   1          1H5*        G   1  10.306 -14.321  -4.215
  113   2H5*    G   1          2H5*        G   1  10.687 -12.698  -4.821
  114    H4*    G   1           H4*        G   1   9.606 -14.024  -6.561
  115    H3*    G   1           H3*        G   1   7.912 -11.760  -5.468
  116    H2*    G   1           H2*        G   1   6.349 -12.285  -7.227
  117   2HO*    G   1          2HO*        G   1   8.212 -12.806  -8.708
  118    H1*    G   1           H1*        G   1   6.418 -14.934  -6.865
  119    H8     G   1           H8         G   1   6.665 -13.396  -3.412
  120    H1     G   1           H1         G   1   0.689 -13.824  -5.765
  121   1H2     G   1          1H2         G   1   2.352 -14.266  -8.809
  122   2H2     G   1          2H2         G   1   0.797 -14.080  -7.996
  123    H5T    G   1           H5T        G   1   9.775 -12.518  -2.783
  124   1H5*    C   2          1H5*        C   2   7.753 -11.242  -9.720
  125   2H5*    C   2          2H5*        C   2   7.795  -9.510 -10.077
  126    H4*    C   2           H4*        C   2   5.759 -10.591 -10.960
  127    H3*    C   2           H3*        C   2   5.305  -8.594  -8.735
  128    H2*    C   2           H2*        C   2   2.939  -8.826  -9.280
  129   2HO*    C   2          2HO*        C   2   3.406  -9.006 -11.608
  130    H1*    C   2           H1*        C   2   3.045 -11.557  -9.458
  131   1H4     C   2          1H4         C   2   2.817 -10.202  -2.972
  132   2H4     C   2          2H4         C   2   1.158 -10.318  -3.553
  133    H5     C   2           H5         C   2   4.737 -10.264  -4.535
  134    H6     C   2           H6         C   2   5.363 -10.558  -6.849
  135   1H5*    A   3          1H5*        A   3   3.079  -7.385 -12.287
  136   2H5*    A   3          2H5*        A   3   2.982  -5.618 -12.397
  137    H4*    A   3           H4*        A   3   0.740  -6.757 -12.285
  138    H3*    A   3           H3*        A   3   1.505  -4.879 -10.043
  139    H2*    A   3           H2*        A   3  -0.727  -5.138  -9.209
  140   2HO*    A   3          2HO*        A   3  -1.816  -5.074 -11.196
  141    H1*    A   3           H1*        A   3  -0.774  -7.875  -9.585
  142    H8     A   3           H8         A   3   2.676  -6.844  -8.316
  143   1H6     A   3          1H6         A   3   0.139  -7.590  -2.682
  144   2H6     A   3          2H6         A   3   1.650  -7.318  -3.546
  145    H2     A   3           H2         A   3  -3.137  -7.503  -5.629
  146   1H5*    G   4          1H5*        G   4  -2.217  -1.096 -10.538
  147   2H5*    G   4          2H5*        G   4  -1.420  -1.957  -9.210
  148    H4*    G   4           H4*        G   4  -4.052  -2.768 -10.523
  149    H3*    G   4           H3*        G   4  -3.326  -1.492  -7.865
  150    H2*    G   4           H2*        G   4  -5.256  -2.581  -6.927
  151   2HO*    G   4          2HO*        G   4  -6.397  -2.284  -9.091
  152    H1*    G   4           H1*        G   4  -4.676  -5.004  -8.065
  153    H8     G   4           H8         G   4  -4.953  -4.746  -5.308
  154    H1     G   4           H1         G   4   1.356  -3.540  -4.982
  155   1H2     G   4          1H2         G   4   1.033  -2.895  -8.427
  156   2H2     G   4          2H2         G   4   2.137  -3.009  -7.066
  157   1H5*    G   5          1H5*        G   5  -7.097  -1.008  -7.305
  158   2H5*    G   5          2H5*        G   5  -7.501   0.657  -6.853
  159    H4*    G   5           H4*        G   5  -8.099  -1.017  -5.107
  160    H3*    G   5           H3*        G   5  -6.005   1.048  -4.378
  161    H2*    G   5           H2*        G   5  -6.192   0.185  -2.117
  162   2HO*    G   5          2HO*        G   5  -8.578  -0.164  -2.490
  163    H1*    G   5           H1*        G   5  -6.165  -2.432  -2.869
  164    H8     G   5           H8         G   5  -3.631  -0.938  -5.184
  165    H1     G   5           H1         G   5  -1.536  -1.603   0.876
  166   1H2     G   5          1H2         G   5  -4.930  -1.941   1.600
  167   2H2     G   5          2H2         G   5  -3.295  -1.843   2.253
  168   1H5*    C   6          1H5*        C   6  -8.998   1.167  -1.261
  169   2H5*    C   6          2H5*        C   6  -9.299   2.848  -0.797
  170    H4*    C   6           H4*        C   6  -8.587   1.392   1.108
  171    H3*    C   6           H3*        C   6  -6.793   3.709   0.342
  172    H2*    C   6           H2*        C   6  -5.542   3.194   2.334
  173   2HO*    C   6          2HO*        C   6  -7.581   2.692   3.507
  174    H1*    C   6           H1*        C   6  -5.631   0.462   1.989
  175   1H4     C   6          1H4         C   6  -0.582   2.207  -1.855
  176   2H4     C   6          2H4         C   6   0.078   1.873  -0.261
  177    H5     C   6           H5         C   6  -3.005   2.237  -2.293
  178    H6     C   6           H6         C   6  -5.180   1.915  -1.302
  179   1H5*    G   7          1H5*        G   7  -7.720   4.251   4.601
  180   2H5*    G   7          2H5*        G   7  -7.764   5.986   4.963
  181    H4*    G   7           H4*        G   7  -6.003   4.753   6.234
  182    H3*    G   7           H3*        G   7  -5.026   6.829   4.260
  183    H2*    G   7           H2*        G   7  -2.797   6.430   5.218
  184   2HO*    G   7          2HO*        G   7  -3.333   6.118   7.377
  185    H1*    G   7           H1*        G   7  -3.035   3.732   5.051
  186    H8     G   7           H8         G   7  -4.863   5.353   2.060
  187    H1     G   7           H1         G   7   1.489   4.638   1.339
  188   1H2     G   7          1H2         G   7   2.415   4.225   3.385
  189   2H2     G   7          2H2         G   7   1.374   3.959   4.771
  190   1H5*    U   8          1H5*        U   8  -3.631   7.619   8.414
  191   2H5*    U   8          2H5*        U   8  -3.338   9.349   8.670
  192    H4*    U   8           H4*        U   8  -1.346   7.883   9.114
  193    H3*    U   8           H3*        U   8  -1.058   9.887   6.850
  194    H2*    U   8           H2*        U   8   1.306   9.270   6.940
  195   2HO*    U   8          2HO*        U   8   1.204   8.995   9.327
  196    H1*    U   8           H1*        U   8   0.754   6.609   6.977
  197    H3     U   8           H3         U   8   2.363   7.415   2.798
  198    H5     U   8           H5         U   8  -1.590   8.841   2.685
  199    H6     U   8           H6         U   8  -1.747   8.497   5.053
  200   1H5*    G   9          1H5*        G   9   2.177  10.512   9.733
  201   2H5*    G   9          2H5*        G   9   2.487  12.247   9.888
  202    H4*    G   9           H4*        G   9   4.512  10.980   9.349
  203    H3*    G   9           H3*        G   9   3.593  12.904   7.208
  204    H2*    G   9           H2*        G   9   5.741  12.413   6.139
  205   2HO*    G   9          2HO*        G   9   6.719  12.211   8.388
  206    H1*    G   9           H1*        G   9   5.536   9.775   6.384
  207    H8     G   9           H8         G   9   1.993  10.878   6.025
  208    H1     G   9           H1         G   9   5.165  10.520   0.440
  209   1H2     G   9          1H2         G   9   7.985  10.464   2.498
  210   2H2     G   9          2H2         G   9   7.367  10.510   0.845
  211   1H5*    C  10          1H5*        C  10   7.668  13.882   7.670
  212   2H5*    C  10          2H5*        C  10   7.842  15.646   7.694
  213    H4*    C  10           H4*        C  10   9.142  14.660   5.859
  214    H3*    C  10           H3*        C  10   6.739  16.301   5.002
  215    H2*    C  10           H2*        C  10   7.478  16.044   2.762
  216   2HO*    C  10          2HO*        C  10   9.532  15.143   2.278
  217    H1*    C  10           H1*        C  10   8.196  13.367   3.027
  218   1H4     C  10          1H4         C  10   1.662  13.722   1.938
  219   2H4     C  10          2H4         C  10   2.452  13.662   0.367
  220    H5     C  10           H5         C  10   2.958  13.914   4.036
  221    H6     C  10           H6         C  10   5.193  13.915   4.956
  222    H3T    C  10           H3T        C  10   9.452  16.928   4.699
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1   3.238  12.670 -10.411
    2   2H5*    G   1          2H5*        G   1   3.855  11.010 -10.528
    3    H4*    G   1           H4*        G   1   5.583  12.492  -9.664
    4    H3*    G   1           H3*        G   1   4.487  10.540  -7.619
    5    H2*    G   1           H2*        G   1   6.267  11.315  -6.179
    6   2HO*    G   1          2HO*        G   1   7.745  11.516  -8.080
    7    H1*    G   1           H1*        G   1   5.872  13.913  -6.661
    8    H8     G   1           H8         G   1   2.443  12.275  -6.682
    9    H1     G   1           H1         G   1   4.722  13.637  -0.821
   10   1H2     G   1          1H2         G   1   7.758  14.004  -2.509
   11   2H2     G   1          2H2         G   1   6.934  13.984  -0.951
   12    H5T    G   1           H5T        G   1   1.817  10.953  -9.611
   13   1H5*    C   2          1H5*        C   2   8.774   9.985  -7.475
   14   2H5*    C   2          2H5*        C   2   9.094   8.272  -7.166
   15    H4*    C   2           H4*        C   2  10.051   9.745  -5.433
   16    H3*    C   2           H3*        C   2   7.820   7.932  -4.482
   17    H2*    C   2           H2*        C   2   8.501   8.649  -2.249
   18   2HO*    C   2          2HO*        C   2  10.794   8.733  -2.817
   19    H1*    C   2           H1*        C   2   8.567  11.275  -2.908
   20   1H4     C   2          1H4         C   2   2.165   9.566  -2.301
   21   2H4     C   2          2H4         C   2   2.735   9.984  -0.690
   22    H5     C   2           H5         C   2   3.694   9.439  -4.232
   23    H6     C   2           H6         C   2   5.977   9.762  -4.943
   24   1H5*    A   3          1H5*        A   3  11.463   7.220  -2.213
   25   2H5*    A   3          2H5*        A   3  11.673   5.524  -1.777
   26    H4*    A   3           H4*        A   3  11.688   7.137   0.187
   27    H3*    A   3           H3*        A   3   9.657   4.907   0.078
   28    H2*    A   3           H2*        A   3   8.622   5.701   2.045
   29   2HO*    A   3          2HO*        A   3  10.855   6.149   2.918
   30    H1*    A   3           H1*        A   3   8.797   8.380   1.529
   31    H8     A   3           H8         A   3   7.634   6.892  -1.741
   32   1H6     A   3          1H6         A   3   1.971   7.280   0.758
   33   2H6     A   3          2H6         A   3   2.874   7.050  -0.730
   34    H2     A   3           H2         A   3   4.924   7.413   4.063
   35   1H5*    G   4          1H5*        G   4  10.814   0.817   1.531
   36   2H5*    G   4          2H5*        G   4   9.195   1.290   1.017
   37    H4*    G   4           H4*        G   4  10.766   2.268   3.428
   38    H3*    G   4           H3*        G   4   8.102   0.915   2.926
   39    H2*    G   4           H2*        G   4   7.270   1.891   4.938
   40   2HO*    G   4          2HO*        G   4   9.566   1.634   5.871
   41    H1*    G   4           H1*        G   4   8.300   4.386   4.442
   42    H8     G   4           H8         G   4   5.533   3.801   4.887
   43    H1     G   4           H1         G   4   4.953   3.860  -1.519
   44   1H2     G   4          1H2         G   4   8.466   3.708  -1.425
   45   2H2     G   4          2H2         G   4   7.079   3.919  -2.462
   46   1H5*    G   5          1H5*        G   5   8.012   0.248   6.822
   47   2H5*    G   5          2H5*        G   5   7.627  -1.451   7.150
   48    H4*    G   5           H4*        G   5   5.935   0.115   8.069
   49    H3*    G   5           H3*        G   5   5.045  -1.798   5.902
   50    H2*    G   5           H2*        G   5   2.801  -0.978   6.261
   51   2HO*    G   5          2HO*        G   5   3.300  -0.805   8.645
   52    H1*    G   5           H1*        G   5   3.477   1.643   6.391
   53    H8     G   5           H8         G   5   5.696   0.270   3.659
   54    H1     G   5           H1         G   5  -0.401   1.306   1.853
   55   1H2     G   5          1H2         G   5  -1.008   1.350   5.287
   56   2H2     G   5          2H2         G   5  -1.711   1.401   3.671
   57   1H5*    C   6          1H5*        C   6   2.123  -2.203   9.095
   58   2H5*    C   6          2H5*        C   6   1.668  -3.907   9.239
   59    H4*    C   6           H4*        C   6  -0.256  -2.377   8.744
   60    H3*    C   6           H3*        C   6   0.432  -4.540   6.742
   61    H2*    C   6           H2*        C   6  -1.553  -3.898   5.556
   62   2HO*    C   6          2HO*        C   6  -2.697  -3.560   7.656
   63    H1*    C   6           H1*        C   6  -1.206  -1.188   5.870
   64   1H4     C   6          1H4         C   6   2.550  -2.564   0.638
   65   2H4     C   6          2H4         C   6   0.963  -2.101   0.039
   66    H5     C   6           H5         C   6   3.009  -2.858   3.043
   67    H6     C   6           H6         C   6   2.049  -2.708   5.251
   68   1H5*    G   7          1H5*        G   7  -3.847  -5.106   7.593
   69   2H5*    G   7          2H5*        G   7  -4.208  -6.836   7.465
   70    H4*    G   7           H4*        G   7  -5.440  -5.420   5.810
   71    H3*    G   7           H3*        G   7  -3.494  -7.446   4.691
   72    H2*    G   7           H2*        G   7  -4.406  -6.841   2.479
   73   2HO*    G   7          2HO*        G   7  -6.474  -6.374   2.632
   74    H1*    G   7           H1*        G   7  -4.156  -4.189   2.938
   75    H8     G   7           H8         G   7  -1.244  -5.984   4.723
   76    H1     G   7           H1         G   7  -0.383  -4.922  -1.565
   77   1H2     G   7          1H2         G   7  -2.382  -4.385  -2.497
   78   2H2     G   7          2H2         G   7  -3.796  -4.195  -1.479
   79   1H5*    U   8          1H5*        U   8  -7.719  -7.912   3.359
   80   2H5*    U   8          2H5*        U   8  -8.106  -9.577   2.884
   81    H4*    U   8           H4*        U   8  -8.562  -7.844   1.114
   82    H3*    U   8           H3*        U   8  -6.495  -9.966   0.451
   83    H2*    U   8           H2*        U   8  -6.635  -9.060  -1.816
   84   2HO*    U   8          2HO*        U   8  -8.990  -8.605  -1.522
   85    H1*    U   8           H1*        U   8  -6.409  -6.492  -0.959
   86    H3     U   8           H3         U   8  -2.392  -7.425  -2.871
   87    H5     U   8           H5         U   8  -2.232  -9.308   0.888
   88    H6     U   8           H6         U   8  -4.554  -8.823   1.195
   89   1H5*    G   9          1H5*        G   9  -9.508  -9.982  -2.710
   90   2H5*    G   9          2H5*        G   9  -9.879 -11.663  -3.122
   91    H4*    G   9           H4*        G   9  -9.274 -10.357  -5.092
   92    H3*    G   9           H3*        G   9  -7.347 -12.557  -4.342
   93    H2*    G   9           H2*        G   9  -6.226 -12.068  -6.454
   94   2HO*    G   9          2HO*        G   9  -8.461 -11.566  -7.388
   95    H1*    G   9           H1*        G   9  -6.199  -9.429  -6.148
   96    H8     G   9           H8         G   9  -5.908 -10.682  -2.649
   97    H1     G   9           H1         G   9  -0.352 -10.714  -5.887
   98   1H2     G   9          1H2         G   9  -2.431 -10.444  -8.679
   99   2H2     G   9          2H2         G   9  -0.781 -10.638  -8.082
  100   1H5*    C  10          1H5*        C  10  -7.842 -13.252  -8.461
  101   2H5*    C  10          2H5*        C  10  -8.129 -14.985  -8.694
  102    H4*    C  10           H4*        C  10  -6.143 -14.326  -9.929
  103    H3*    C  10           H3*        C  10  -5.492 -15.948  -7.439
  104    H2*    C  10           H2*        C  10  -3.259 -16.050  -8.260
  105   2HO*    C  10          2HO*        C  10  -4.121 -16.249 -10.531
  106    H1*    C  10           H1*        C  10  -3.191 -13.387  -9.014
  107   1H4     C  10          1H4         C  10  -2.171 -13.813  -2.448
  108   2H4     C  10          2H4         C  10  -0.600 -13.886  -3.238
  109    H5     C  10           H5         C  10  -4.275 -13.800  -3.748
  110    H6     C  10           H6         C  10  -5.186 -13.703  -5.985
  111    H3T    C  10           H3T        C  10  -6.758 -17.043  -8.968
  112   1H5*    G   1          1H5*        G   1  10.079 -14.494  -4.063
  113   2H5*    G   1          2H5*        G   1  10.660 -13.010  -4.835
  114    H4*    G   1           H4*        G   1   9.467 -14.272  -6.489
  115    H3*    G   1           H3*        G   1   7.784 -11.958  -5.476
  116    H2*    G   1           H2*        G   1   6.246 -12.507  -7.228
  117   2HO*    G   1          2HO*        G   1   8.096 -13.092  -8.693
  118    H1*    G   1           H1*        G   1   6.285 -15.145  -6.761
  119    H8     G   1           H8         G   1   6.543 -13.501  -3.370
  120    H1     G   1           H1         G   1   0.564 -13.885  -5.725
  121   1H2     G   1          1H2         G   1   2.223 -14.427  -8.755
  122   2H2     G   1          2H2         G   1   0.671 -14.199  -7.948
  123    H5T    G   1           H5T        G   1   9.036 -11.862  -3.823
  124   1H5*    C   2          1H5*        C   2   7.690 -11.457  -9.644
  125   2H5*    C   2          2H5*        C   2   7.773  -9.731 -10.028
  126    H4*    C   2           H4*        C   2   5.723 -10.770 -10.914
  127    H3*    C   2           H3*        C   2   5.289  -8.758  -8.700
  128    H2*    C   2           H2*        C   2   2.924  -8.956  -9.246
  129   2HO*    C   2          2HO*        C   2   3.374  -9.143 -11.572
  130    H1*    C   2           H1*        C   2   2.979 -11.687  -9.419
  131   1H4     C   2          1H4         C   2   2.769 -10.256  -2.943
  132   2H4     C   2          2H4         C   2   1.109 -10.335  -3.526
  133    H5     C   2           H5         C   2   4.689 -10.399  -4.499
  134    H6     C   2           H6         C   2   5.312 -10.746  -6.809
  135   1H5*    A   3          1H5*        A   3   3.110  -7.535 -12.279
  136   2H5*    A   3          2H5*        A   3   3.038  -5.768 -12.403
  137    H4*    A   3           H4*        A   3   0.780  -6.877 -12.299
  138    H3*    A   3           H3*        A   3   1.555  -4.983 -10.075
  139    H2*    A   3           H2*        A   3  -0.683  -5.204  -9.248
  140   2HO*    A   3          2HO*        A   3  -1.761  -5.147 -11.241
  141    H1*    A   3           H1*        A   3  -0.767  -7.944  -9.592
  142    H8     A   3           H8         A   3   2.693  -6.944  -8.322
  143   1H6     A   3          1H6         A   3   0.135  -7.598  -2.688
  144   2H6     A   3          2H6         A   3   1.649  -7.350  -3.552
  145    H2     A   3           H2         A   3  -3.135  -7.505  -5.645
  146   1H5*    G   4          1H5*        G   4  -2.110  -1.157 -10.633
  147   2H5*    G   4          2H5*        G   4  -1.325  -2.008  -9.292
  148    H4*    G   4           H4*        G   4  -3.967  -2.803 -10.596
  149    H3*    G   4           H3*        G   4  -3.225  -1.503  -7.954
  150    H2*    G   4           H2*        G   4  -5.167  -2.559  -7.003
  151   2HO*    G   4          2HO*        G   4  -6.306  -2.273  -9.170
  152    H1*    G   4           H1*        G   4  -4.619  -5.002  -8.111
  153    H8     G   4           H8         G   4  -4.891  -4.709  -5.357
  154    H1     G   4           H1         G   4   1.433  -3.582  -5.046
  155   1H2     G   4          1H2         G   4   1.118  -2.969  -8.497
  156   2H2     G   4          2H2         G   4   2.220  -3.082  -7.135
  157   1H5*    G   5          1H5*        G   5  -6.997  -0.965  -7.405
  158   2H5*    G   5          2H5*        G   5  -7.380   0.708  -6.965
  159    H4*    G   5           H4*        G   5  -7.997  -0.951  -5.208
  160    H3*    G   5           H3*        G   5  -5.888   1.104  -4.493
  161    H2*    G   5           H2*        G   5  -6.069   0.252  -2.228
  162   2HO*    G   5          2HO*        G   5  -8.460  -0.086  -2.594
  163    H1*    G   5           H1*        G   5  -6.058  -2.369  -2.963
  164    H8     G   5           H8         G   5  -3.533  -0.918  -5.309
  165    H1     G   5           H1         G   5  -1.396  -1.534   0.741
  166   1H2     G   5          1H2         G   5  -4.787  -1.832   1.497
  167   2H2     G   5          2H2         G   5  -3.146  -1.741   2.134
  168   1H5*    C   6          1H5*        C   6  -8.852   1.263  -1.366
  169   2H5*    C   6          2H5*        C   6  -9.138   2.945  -0.895
  170    H4*    C   6           H4*        C   6  -8.401   1.469   0.993
  171    H3*    C   6           H3*        C   6  -6.633   3.804   0.223
  172    H2*    C   6           H2*        C   6  -5.335   3.276   2.186
  173   2HO*    C   6          2HO*        C   6  -7.354   2.726   3.384
  174    H1*    C   6           H1*        C   6  -5.404   0.550   1.804
  175   1H4     C   6          1H4         C   6  -0.463   2.251  -2.165
  176   2H4     C   6          2H4         C   6   0.226   1.933  -0.581
  177    H5     C   6           H5         C   6  -2.901   2.306  -2.542
  178    H6     C   6           H6         C   6  -5.050   2.004  -1.493
  179   1H5*    G   7          1H5*        G   7  -7.485   4.165   4.519
  180   2H5*    G   7          2H5*        G   7  -7.585   5.879   4.954
  181    H4*    G   7           H4*        G   7  -5.785   4.642   6.175
  182    H3*    G   7           H3*        G   7  -4.916   6.863   4.315
  183    H2*    G   7           H2*        G   7  -2.674   6.531   5.232
  184   2HO*    G   7          2HO*        G   7  -2.973   6.106   7.351
  185    H1*    G   7           H1*        G   7  -2.777   3.821   5.005
  186    H8     G   7           H8         G   7  -4.625   5.484   2.054
  187    H1     G   7           H1         G   7   1.694   4.611   1.202
  188   1H2     G   7          1H2         G   7   2.653   4.161   3.236
  189   2H2     G   7          2H2         G   7   1.647   4.033   4.668
  190   1H5*    U   8          1H5*        U   8  -3.750   7.611   8.639
  191   2H5*    U   8          2H5*        U   8  -3.544   9.350   8.940
  192    H4*    U   8           H4*        U   8  -1.503   7.978   9.449
  193    H3*    U   8           H3*        U   8  -1.210   9.988   7.192
  194    H2*    U   8           H2*        U   8   1.164   9.412   7.288
  195   2HO*    U   8          2HO*        U   8   1.030   9.132   9.681
  196    H1*    U   8           H1*        U   8   0.671   6.738   7.329
  197    H3     U   8           H3         U   8   2.181   7.362   3.117
  198    H5     U   8           H5         U   8  -1.694   8.985   3.030
  199    H6     U   8           H6         U   8  -1.814   8.720   5.407
  200   1H5*    G   9          1H5*        G   9   2.064  10.693   9.998
  201   2H5*    G   9          2H5*        G   9   2.321  12.440  10.120
  202    H4*    G   9           H4*        G   9   4.372  11.253   9.549
  203    H3*    G   9           H3*        G   9   3.330  13.055   7.359
  204    H2*    G   9           H2*        G   9   5.485  12.617   6.276
  205   2HO*    G   9          2HO*        G   9   6.496  12.530   8.523
  206    H1*    G   9           H1*        G   9   5.389   9.978   6.629
  207    H8     G   9           H8         G   9   1.809  10.994   6.269
  208    H1     G   9           H1         G   9   4.936  10.514   0.666
  209   1H2     G   9          1H2         G   9   7.770  10.647   2.693
  210   2H2     G   9          2H2         G   9   7.141  10.638   1.044
  211   1H5*    C  10          1H5*        C  10   7.379  14.156   7.651
  212   2H5*    C  10          2H5*        C  10   7.488  15.923   7.676
  213    H4*    C  10           H4*        C  10   8.803  15.058   5.827
  214    H3*    C  10           H3*        C  10   6.232  16.400   4.912
  215    H2*    C  10           H2*        C  10   7.106  16.235   2.701
  216   2HO*    C  10          2HO*        C  10   9.338  16.696   3.559
  217    H1*    C  10           H1*        C  10   8.001  13.639   3.024
  218   1H4     C  10          1H4         C  10   1.431  13.628   1.905
  219   2H4     C  10          2H4         C  10   2.231  13.589   0.337
  220    H5     C  10           H5         C  10   2.712  13.882   4.006
  221    H6     C  10           H6         C  10   4.938  13.998   4.934
  222    H3T    C  10           H3T        C  10   7.655  17.767   6.026
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1   3.473  13.379 -10.313
    2   2H5*    G   1          2H5*        G   1   4.243  11.851 -10.769
    3    H4*    G   1           H4*        G   1   5.903  13.208  -9.698
    4    H3*    G   1           H3*        G   1   4.898  11.050  -7.814
    5    H2*    G   1           H2*        G   1   6.661  11.731  -6.341
    6   2HO*    G   1          2HO*        G   1   8.118  12.146  -8.235
    7    H1*    G   1           H1*        G   1   6.188  14.354  -6.600
    8    H8     G   1           H8         G   1   2.802  12.675  -6.716
    9    H1     G   1           H1         G   1   5.141  13.606  -0.792
   10   1H2     G   1          1H2         G   1   8.170  14.031  -2.487
   11   2H2     G   1          2H2         G   1   7.360  13.942  -0.923
   12    H5T    G   1           H5T        G   1   3.239  10.844  -9.051
   13   1H5*    C   2          1H5*        C   2   9.090  10.541  -7.729
   14   2H5*    C   2          2H5*        C   2   9.453   8.810  -7.646
   15    H4*    C   2           H4*        C   2  10.377  10.051  -5.722
   16    H3*    C   2           H3*        C   2   8.190   8.066  -5.088
   17    H2*    C   2           H2*        C   2   8.716   8.486  -2.759
   18   2HO*    C   2          2HO*        C   2  11.034   8.625  -3.177
   19    H1*    C   2           H1*        C   2   8.895  11.204  -3.047
   20   1H4     C   2          1H4         C   2   2.430   9.750  -2.649
   21   2H4     C   2          2H4         C   2   3.022   9.984  -1.008
   22    H5     C   2           H5         C   2   3.964   9.746  -4.590
   23    H6     C   2           H6         C   2   6.263  10.054  -5.266
   24   1H5*    A   3          1H5*        A   3  11.820   7.029  -2.787
   25   2H5*    A   3          2H5*        A   3  11.892   5.274  -2.548
   26    H4*    A   3           H4*        A   3  11.816   6.621  -0.409
   27    H3*    A   3           H3*        A   3   9.603   4.649  -0.999
   28    H2*    A   3           H2*        A   3   8.727   5.133   1.185
   29   2HO*    A   3          2HO*        A   3  10.551   5.242   2.422
   30    H1*    A   3           H1*        A   3   9.070   7.849   0.991
   31    H8     A   3           H8         A   3   7.825   6.482  -2.365
   32   1H6     A   3          1H6         A   3   2.176   7.251   0.164
   33   2H6     A   3          2H6         A   3   3.026   6.873  -1.332
   34    H2     A   3           H2         A   3   5.156   7.603   3.382
   35   1H5*    G   4          1H5*        G   4  11.542   3.653   2.999
   36   2H5*    G   4          2H5*        G   4  11.365   1.907   3.251
   37    H4*    G   4           H4*        G   4  10.377   3.300   5.073
   38    H3*    G   4           H3*        G   4   8.386   1.634   3.498
   39    H2*    G   4           H2*        G   4   6.840   2.249   5.241
   40   2HO*    G   4          2HO*        G   4   8.681   2.060   6.856
   41    H1*    G   4           H1*        G   4   7.795   4.869   5.405
   42    H8     G   4           H8         G   4   5.209   5.050   5.350
   43    H1     G   4           H1         G   4   4.872   3.014  -0.734
   44   1H2     G   4          1H2         G   4   8.298   2.379  -0.369
   45   2H2     G   4          2H2         G   4   6.910   2.346  -1.434
   46   1H5*    G   5          1H5*        G   5   7.611   0.603   7.558
   47   2H5*    G   5          2H5*        G   5   7.197  -1.111   7.660
   48    H4*    G   5           H4*        G   5   5.437   0.500   8.499
   49    H3*    G   5           H3*        G   5   4.764  -1.465   6.303
   50    H2*    G   5           H2*        G   5   2.465  -0.722   6.542
   51   2HO*    G   5          2HO*        G   5   2.854  -0.480   8.945
   52    H1*    G   5           H1*        G   5   3.067   1.923   6.660
   53    H8     G   5           H8         G   5   5.461   0.749   4.035
   54    H1     G   5           H1         G   5  -0.649   1.101   2.005
   55   1H2     G   5          1H2         G   5  -1.369   1.180   5.414
   56   2H2     G   5          2H2         G   5  -2.026   1.160   3.779
   57   1H5*    C   6          1H5*        C   6   1.642  -1.823   9.320
   58   2H5*    C   6          2H5*        C   6   1.336  -3.543   9.594
   59    H4*    C   6           H4*        C   6  -0.719  -2.283   8.967
   60    H3*    C   6           H3*        C   6   0.283  -4.465   7.136
   61    H2*    C   6           H2*        C   6  -1.651  -4.170   5.810
   62   2HO*    C   6          2HO*        C   6  -3.136  -4.057   7.543
   63    H1*    C   6           H1*        C   6  -1.779  -1.405   6.060
   64   1H4     C   6          1H4         C   6   2.220  -2.483   0.909
   65   2H4     C   6          2H4         C   6   0.604  -2.255   0.264
   66    H5     C   6           H5         C   6   2.671  -2.580   3.325
   67    H6     C   6           H6         C   6   1.668  -2.448   5.515
   68   1H5*    G   7          1H5*        G   7  -3.649  -7.948   7.126
   69   2H5*    G   7          2H5*        G   7  -2.389  -7.329   6.046
   70    H4*    G   7           H4*        G   7  -5.205  -6.196   6.319
   71    H3*    G   7           H3*        G   7  -3.813  -7.994   4.339
   72    H2*    G   7           H2*        G   7  -4.890  -6.890   2.480
   73   2HO*    G   7          2HO*        G   7  -6.888  -6.641   3.861
   74    H1*    G   7           H1*        G   7  -4.406  -4.367   3.349
   75    H8     G   7           H8         G   7  -1.336  -6.081   4.671
   76    H1     G   7           H1         G   7  -1.132  -4.960  -1.657
   77   1H2     G   7          1H2         G   7  -3.270  -4.556  -2.394
   78   2H2     G   7          2H2         G   7  -4.578  -4.412  -1.231
   79   1H5*    U   8          1H5*        U   8  -7.946  -8.118   3.192
   80   2H5*    U   8          2H5*        U   8  -8.411  -9.772   2.753
   81    H4*    U   8           H4*        U   8  -8.746  -8.165   0.898
   82    H3*    U   8           H3*        U   8  -6.575 -10.239   0.430
   83    H2*    U   8           H2*        U   8  -6.620  -9.439  -1.863
   84   2HO*    U   8          2HO*        U   8  -9.001  -9.075  -1.746
   85    H1*    U   8           H1*        U   8  -6.555  -6.829  -1.121
   86    H3     U   8           H3         U   8  -2.430  -7.742  -2.805
   87    H5     U   8           H5         U   8  -2.371  -9.381   1.068
   88    H6     U   8           H6         U   8  -4.722  -8.941   1.250
   89   1H5*    G   9          1H5*        G   9  -9.491 -10.503  -2.855
   90   2H5*    G   9          2H5*        G   9  -9.733 -12.214  -3.239
   91    H4*    G   9           H4*        G   9  -9.152 -10.899  -5.214
   92    H3*    G   9           H3*        G   9  -7.107 -12.958  -4.379
   93    H2*    G   9           H2*        G   9  -5.992 -12.434  -6.487
   94   2HO*    G   9          2HO*        G   9  -8.222 -12.096  -7.476
   95    H1*    G   9           H1*        G   9  -6.126  -9.797  -6.211
   96    H8     G   9           H8         G   9  -5.821 -11.033  -2.702
   97    H1     G   9           H1         G   9  -0.227 -10.766  -5.872
   98   1H2     G   9          1H2         G   9  -2.289 -10.510  -8.677
   99   2H2     G   9          2H2         G   9  -0.636 -10.634  -8.073
  100   1H5*    C  10          1H5*        C  10  -7.599 -13.737  -8.536
  101   2H5*    C  10          2H5*        C  10  -7.689 -15.493  -8.760
  102    H4*    C  10           H4*        C  10  -5.813 -14.527 -10.025
  103    H3*    C  10           H3*        C  10  -5.034 -16.299  -7.688
  104    H2*    C  10           H2*        C  10  -2.785 -16.120  -8.432
  105   2HO*    C  10          2HO*        C  10  -2.267 -15.168 -10.451
  106    H1*    C  10           H1*        C  10  -2.939 -13.406  -9.058
  107   1H4     C  10          1H4         C  10  -1.784 -14.062  -2.553
  108   2H4     C  10          2H4         C  10  -0.222 -14.021  -3.362
  109    H5     C  10           H5         C  10  -3.903 -14.120  -3.825
  110    H6     C  10           H6         C  10  -4.852 -14.001  -6.050
  111    H3T    C  10           H3T        C  10  -4.771 -16.838 -10.424
  112   1H5*    G   1          1H5*        G   1  10.544 -13.840  -4.377
  113   2H5*    G   1          2H5*        G   1  10.848 -12.174  -4.907
  114    H4*    G   1           H4*        G   1   9.814 -13.462  -6.702
  115    H3*    G   1           H3*        G   1   8.025 -11.335  -5.493
  116    H2*    G   1           H2*        G   1   6.480 -11.845  -7.275
  117   2HO*    G   1          2HO*        G   1   8.346 -12.203  -8.788
  118    H1*    G   1           H1*        G   1   6.672 -14.503  -7.036
  119    H8     G   1           H8         G   1   6.870 -13.091  -3.518
  120    H1     G   1           H1         G   1   0.906 -13.824  -5.826
  121   1H2     G   1          1H2         G   1   2.553 -14.053  -8.902
  122   2H2     G   1          2H2         G   1   1.001 -14.013  -8.064
  123    H5T    G   1           H5T        G   1   9.945 -12.129  -2.859
  124   1H5*    C   2          1H5*        C   2   7.871 -10.600  -9.730
  125   2H5*    C   2          2H5*        C   2   7.806  -8.851  -9.996
  126    H4*    C   2           H4*        C   2   5.845 -10.024 -10.948
  127    H3*    C   2           H3*        C   2   5.258  -8.153  -8.645
  128    H2*    C   2           H2*        C   2   2.921  -8.517  -9.198
  129   2HO*    C   2          2HO*        C   2   3.374  -8.555 -11.527
  130    H1*    C   2           H1*        C   2   3.200 -11.228  -9.511
  131   1H4     C   2          1H4         C   2   2.818 -10.150  -2.975
  132   2H4     C   2          2H4         C   2   1.176 -10.362  -3.570
  133    H5     C   2           H5         C   2   4.750 -10.028  -4.512
  134    H6     C   2           H6         C   2   5.421 -10.187  -6.824
  135   1H5*    A   3          1H5*        A   3   2.918  -6.906 -12.163
  136   2H5*    A   3          2H5*        A   3   2.675  -5.150 -12.145
  137    H4*    A   3           H4*        A   3   0.542  -6.498 -12.113
  138    H3*    A   3           H3*        A   3   1.124  -4.682  -9.764
  139    H2*    A   3           H2*        A   3  -1.105  -5.223  -8.985
  140   2HO*    A   3          2HO*        A   3  -2.118  -5.234 -11.045
  141    H1*    A   3           H1*        A   3  -0.833  -7.908  -9.441
  142    H8     A   3           H8         A   3   2.525  -6.604  -8.163
  143   1H6     A   3          1H6         A   3   0.061  -7.653  -2.532
  144   2H6     A   3          2H6         A   3   1.546  -7.242  -3.383
  145    H2     A   3           H2         A   3  -3.203  -7.797  -5.487
  146   1H5*    G   4          1H5*        G   4  -2.836  -3.589 -11.495
  147   2H5*    G   4          2H5*        G   4  -3.121  -1.859 -11.238
  148    H4*    G   4           H4*        G   4  -4.871  -3.343 -10.243
  149    H3*    G   4           H3*        G   4  -3.272  -1.728  -8.225
  150    H2*    G   4           H2*        G   4  -4.980  -2.442  -6.675
  151   2HO*    G   4          2HO*        G   4  -6.630  -2.213  -8.480
  152    H1*    G   4           H1*        G   4  -5.092  -5.026  -7.750
  153    H8     G   4           H8         G   4  -5.026  -5.162  -5.123
  154    H1     G   4           H1         G   4   1.140  -3.364  -4.941
  155   1H2     G   4          1H2         G   4   0.686  -2.622  -8.336
  156   2H2     G   4          2H2         G   4   1.802  -2.679  -6.989
  157   1H5*    G   5          1H5*        G   5  -7.326  -0.822  -7.336
  158   2H5*    G   5          2H5*        G   5  -7.479   0.873  -6.866
  159    H4*    G   5           H4*        G   5  -8.251  -0.801  -5.145
  160    H3*    G   5           H3*        G   5  -6.049   1.141  -4.409
  161    H2*    G   5           H2*        G   5  -6.308   0.300  -2.144
  162   2HO*    G   5          2HO*        G   5  -8.707   0.090  -2.541
  163    H1*    G   5           H1*        G   5  -6.431  -2.317  -2.875
  164    H8     G   5           H8         G   5  -3.787  -0.987  -5.171
  165    H1     G   5           H1         G   5  -1.779  -1.763   0.906
  166   1H2     G   5          1H2         G   5  -5.187  -1.934   1.612
  167   2H2     G   5          2H2         G   5  -3.551  -1.932   2.268
  168   1H5*    C   6          1H5*        C   6  -9.119   1.434  -1.361
  169   2H5*    C   6          2H5*        C   6  -9.325   3.122  -0.874
  170    H4*    C   6           H4*        C   6  -8.731   1.582   1.015
  171    H3*    C   6           H3*        C   6  -6.822   3.829   0.326
  172    H2*    C   6           H2*        C   6  -5.610   3.213   2.312
  173   2HO*    C   6          2HO*        C   6  -7.698   2.768   3.443
  174    H1*    C   6           H1*        C   6  -5.808   0.498   1.907
  175   1H4     C   6          1H4         C   6  -0.691   2.106  -1.906
  176   2H4     C   6          2H4         C   6  -0.040   1.715  -0.322
  177    H5     C   6           H5         C   6  -3.108   2.247  -2.339
  178    H6     C   6           H6         C   6  -5.292   2.008  -1.352
  179   1H5*    G   7          1H5*        G   7  -7.711   4.337   4.567
  180   2H5*    G   7          2H5*        G   7  -7.710   6.068   4.953
  181    H4*    G   7           H4*        G   7  -5.967   4.791   6.194
  182    H3*    G   7           H3*        G   7  -4.953   6.837   4.207
  183    H2*    G   7           H2*        G   7  -2.724   6.375   5.139
  184   2HO*    G   7          2HO*        G   7  -3.187   6.072   7.296
  185    H1*    G   7           H1*        G   7  -3.044   3.686   4.974
  186    H8     G   7           H8         G   7  -4.870   5.318   1.995
  187    H1     G   7           H1         G   7   1.471   4.550   1.228
  188   1H2     G   7          1H2         G   7   2.406   4.149   3.278
  189   2H2     G   7          2H2         G   7   1.368   3.889   4.667
  190   1H5*    U   8          1H5*        U   8  -3.527   7.574   8.345
  191   2H5*    U   8          2H5*        U   8  -3.193   9.294   8.620
  192    H4*    U   8           H4*        U   8  -1.235   7.779   9.050
  193    H3*    U   8           H3*        U   8  -0.904   9.794   6.801
  194    H2*    U   8           H2*        U   8   1.445   9.128   6.888
  195   2HO*    U   8          2HO*        U   8   1.323   8.832   9.279
  196    H1*    U   8           H1*        U   8   0.835   6.478   6.904
  197    H3     U   8           H3         U   8   2.484   7.311   2.742
  198    H5     U   8           H5         U   8  -1.452   8.783   2.626
  199    H6     U   8           H6         U   8  -1.623   8.423   4.990
  200   1H5*    G   9          1H5*        G   9   2.341  10.325   9.670
  201   2H5*    G   9          2H5*        G   9   2.659  12.054   9.873
  202    H4*    G   9           H4*        G   9   4.681  10.798   9.307
  203    H3*    G   9           H3*        G   9   3.766  12.781   7.220
  204    H2*    G   9           H2*        G   9   5.909  12.317   6.130
  205   2HO*    G   9          2HO*        G   9   6.880  12.043   8.384
  206    H1*    G   9           H1*        G   9   5.707   9.672   6.309
  207    H8     G   9           H8         G   9   2.155  10.731   5.985
  208    H1     G   9           H1         G   9   5.325  10.548   0.388
  209   1H2     G   9          1H2         G   9   8.147  10.515   2.445
  210   2H2     G   9          2H2         G   9   7.529  10.563   0.792
  211   1H5*    C  10          1H5*        C  10   7.827  13.721   7.641
  212   2H5*    C  10          2H5*        C  10   7.998  15.478   7.788
  213    H4*    C  10           H4*        C  10   9.283  14.703   5.877
  214    H3*    C  10           H3*        C  10   6.749  16.179   5.066
  215    H2*    C  10           H2*        C  10   7.594  16.120   2.841
  216   2HO*    C  10          2HO*        C  10   9.849  16.462   3.703
  217    H1*    C  10           H1*        C  10   8.419  13.486   2.995
  218   1H4     C  10          1H4         C  10   1.848  13.657   1.935
  219   2H4     C  10          2H4         C  10   2.640  13.655   0.363
  220    H5     C  10           H5         C  10   3.145  13.811   4.037
  221    H6     C  10           H6         C  10   5.378  13.838   4.953
  222    H3T    C  10           H3T        C  10   8.226  17.427   6.248
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1   4.434  14.117  -9.411
    2   2H5*    G   1          2H5*        G   1   5.544  12.783  -9.758
    3    H4*    G   1           H4*        G   1   6.774  14.456  -8.563
    4    H3*    G   1           H3*        G   1   6.060  12.136  -6.741
    5    H2*    G   1           H2*        G   1   7.484  13.173  -5.117
    6   2HO*    G   1          2HO*        G   1   9.003  13.884  -6.875
    7    H1*    G   1           H1*        G   1   6.507  15.637  -5.471
    8    H8     G   1           H8         G   1   3.567  13.303  -5.893
    9    H1     G   1           H1         G   1   5.128  14.512   0.231
   10   1H2     G   1          1H2         G   1   8.133  15.615  -1.169
   11   2H2     G   1          2H2         G   1   7.242  15.256   0.310
   12    H5T    G   1           H5T        G   1   4.607  11.591  -8.123
   13   1H5*    C   2          1H5*        C   2  10.234  12.509  -6.253
   14   2H5*    C   2          2H5*        C   2  10.944  10.898  -6.086
   15    H4*    C   2           H4*        C   2  11.392  12.327  -4.131
   16    H3*    C   2           H3*        C   2   9.616   9.930  -3.613
   17    H2*    C   2           H2*        C   2   9.854  10.506  -1.251
   18   2HO*    C   2          2HO*        C   2  12.134  11.184  -1.616
   19    H1*    C   2           H1*        C   2   9.412  13.162  -1.625
   20   1H4     C   2          1H4         C   2   3.457  10.244  -1.899
   21   2H4     C   2          2H4         C   2   3.800  10.566  -0.202
   22    H5     C   2           H5         C   2   5.154  10.612  -3.658
   23    H6     C   2           H6         C   2   7.385  11.442  -4.077
   24   1H5*    A   3          1H5*        A   3  13.010   9.800  -0.833
   25   2H5*    A   3          2H5*        A   3  13.475   8.108  -0.572
   26    H4*    A   3           H4*        A   3  12.782   9.356   1.527
   27    H3*    A   3           H3*        A   3  11.286   6.885   0.648
   28    H2*    A   3           H2*        A   3  10.018   7.008   2.663
   29   2HO*    A   3          2HO*        A   3  11.939   7.665   3.909
   30    H1*    A   3           H1*        A   3   9.642   9.740   2.530
   31    H8     A   3           H8         A   3   9.172   8.567  -1.010
   32   1H6     A   3          1H6         A   3   3.298   7.531   0.783
   33   2H6     A   3          2H6         A   3   4.361   7.691  -0.615
   34    H2     A   3           H2         A   3   5.797   7.721   4.400
   35   1H5*    G   4          1H5*        G   4  11.510   2.793   2.894
   36   2H5*    G   4          2H5*        G   4  10.829   3.635   1.492
   37    H4*    G   4           H4*        G   4   9.733   3.824   4.333
   38    H3*    G   4           H3*        G   4   8.936   2.236   1.884
   39    H2*    G   4           H2*        G   4   6.635   2.499   2.482
   40   2HO*    G   4          2HO*        G   4   6.676   2.286   4.709
   41    H1*    G   4           H1*        G   4   6.865   5.157   3.125
   42    H8     G   4           H8         G   4   4.984   4.318   1.290
   43    H1     G   4           H1         G   4   9.331   5.956  -3.177
   44   1H2     G   4          1H2         G   4  11.651   5.164  -0.692
   45   2H2     G   4          2H2         G   4  11.373   5.758  -2.332
   46   1H5*    G   5          1H5*        G   5   7.495   0.925   6.065
   47   2H5*    G   5          2H5*        G   5   7.186  -0.821   6.124
   48    H4*    G   5           H4*        G   5   5.383   0.697   7.116
   49    H3*    G   5           H3*        G   5   4.688  -1.301   4.954
   50    H2*    G   5           H2*        G   5   2.375  -0.642   5.275
   51   2HO*    G   5          2HO*        G   5   2.785  -0.339   7.648
   52    H1*    G   5           H1*        G   5   2.882   2.009   5.276
   53    H8     G   5           H8         G   5   5.255   0.654   2.659
   54    H1     G   5           H1         G   5  -0.888   1.026   0.764
   55   1H2     G   5          1H2         G   5  -1.493   1.427   4.188
   56   2H2     G   5          2H2         G   5  -2.206   1.255   2.580
   57   1H5*    C   6          1H5*        C   6   1.780  -1.724   8.183
   58   2H5*    C   6          2H5*        C   6   1.401  -3.435   8.411
   59    H4*    C   6           H4*        C   6  -0.592  -1.976   7.930
   60    H3*    C   6           H3*        C   6   0.076  -4.252   6.055
   61    H2*    C   6           H2*        C   6  -2.013  -3.784   4.955
   62   2HO*    C   6          2HO*        C   6  -3.042  -3.329   7.083
   63    H1*    C   6           H1*        C   6  -1.745  -1.046   5.035
   64   1H4     C   6          1H4         C   6   1.764  -2.813  -0.268
   65   2H4     C   6          2H4         C   6   0.117  -2.555  -0.820
   66    H5     C   6           H5         C   6   2.383  -2.748   2.111
   67    H6     C   6           H6         C   6   1.549  -2.409   4.345
   68   1H5*    G   7          1H5*        G   7  -4.076  -4.928   7.327
   69   2H5*    G   7          2H5*        G   7  -4.353  -6.677   7.419
   70    H4*    G   7           H4*        G   7  -5.827  -5.530   5.764
   71    H3*    G   7           H3*        G   7  -3.845  -7.535   4.667
   72    H2*    G   7           H2*        G   7  -4.980  -7.235   2.509
   73   2HO*    G   7          2HO*        G   7  -7.102  -7.025   3.150
   74    H1*    G   7           H1*        G   7  -4.947  -4.528   2.680
   75    H8     G   7           H8         G   7  -1.723  -5.919   4.286
   76    H1     G   7           H1         G   7  -1.608  -5.459  -2.130
   77   1H2     G   7          1H2         G   7  -3.763  -5.198  -2.876
   78   2H2     G   7          2H2         G   7  -5.056  -4.953  -1.716
   79   1H5*    U   8          1H5*        U   8  -8.076  -8.571   3.677
   80   2H5*    U   8          2H5*        U   8  -8.258 -10.321   3.452
   81    H4*    U   8           H4*        U   8  -8.966  -8.937   1.475
   82    H3*    U   8           H3*        U   8  -6.647 -10.849   1.046
   83    H2*    U   8           H2*        U   8  -6.947 -10.318  -1.316
   84   2HO*    U   8          2HO*        U   8  -9.332 -10.143  -1.023
   85    H1*    U   8           H1*        U   8  -7.068  -7.644  -0.853
   86    H3     U   8           H3         U   8  -3.021  -8.343  -2.800
   87    H5     U   8           H5         U   8  -2.499  -9.618   1.174
   88    H6     U   8           H6         U   8  -4.853  -9.354   1.534
   89   1H5*    G   9          1H5*        G   9  -9.755 -11.709  -1.936
   90   2H5*    G   9          2H5*        G   9  -9.875 -13.464  -2.125
   91    H4*    G   9           H4*        G   9  -9.561 -12.320  -4.263
   92    H3*    G   9           H3*        G   9  -7.301 -14.128  -3.401
   93    H2*    G   9           H2*        G   9  -6.387 -13.749  -5.635
   94   2HO*    G   9          2HO*        G   9  -8.715 -13.672  -6.457
   95    H1*    G   9           H1*        G   9  -6.718 -11.113  -5.617
   96    H8     G   9           H8         G   9  -6.052 -11.917  -2.037
   97    H1     G   9           H1         G   9  -0.748 -11.577  -5.664
   98   1H2     G   9          1H2         G   9  -3.020 -11.836  -8.303
   99   2H2     G   9          2H2         G   9  -1.324 -11.748  -7.824
  100   1H5*    C  10          1H5*        C  10  -7.967 -15.356  -7.391
  101   2H5*    C  10          2H5*        C  10  -8.006 -17.126  -7.420
  102    H4*    C  10           H4*        C  10  -6.246 -16.327  -8.896
  103    H3*    C  10           H3*        C  10  -5.168 -17.573  -6.339
  104    H2*    C  10           H2*        C  10  -3.018 -17.455  -7.361
  105   2HO*    C  10          2HO*        C  10  -4.023 -18.006  -9.510
  106    H1*    C  10           H1*        C  10  -3.401 -14.900  -8.355
  107   1H4     C  10          1H4         C  10  -1.797 -14.547  -1.898
  108   2H4     C  10          2H4         C  10  -0.299 -14.494  -2.822
  109    H5     C  10           H5         C  10  -3.982 -14.919  -2.994
  110    H6     C  10           H6         C  10  -5.076 -15.162  -5.136
  111    H3T    C  10           H3T        C  10  -6.380 -18.988  -7.631
  112   1H5*    G   1          1H5*        G   1  10.242 -13.656  -4.595
  113   2H5*    G   1          2H5*        G   1  10.537 -12.160  -5.495
  114    H4*    G   1           H4*        G   1   9.411 -13.680  -6.967
  115    H3*    G   1           H3*        G   1   7.493 -11.568  -5.928
  116    H2*    G   1           H2*        G   1   5.919 -12.440  -7.510
  117   2HO*    G   1          2HO*        G   1   7.707 -12.851  -9.100
  118    H1*    G   1           H1*        G   1   6.379 -15.010  -6.906
  119    H8     G   1           H8         G   1   6.669 -13.112  -3.649
  120    H1     G   1           H1         G   1   0.645 -14.552  -5.403
  121   1H2     G   1          1H2         G   1   2.105 -15.063  -8.538
  122   2H2     G   1          2H2         G   1   0.611 -15.017  -7.601
  123    H5T    G   1           H5T        G   1   8.852 -11.185  -4.405
  124   1H5*    C   2          1H5*        C   2   7.020 -11.347 -10.104
  125   2H5*    C   2          2H5*        C   2   6.809  -9.655 -10.580
  126    H4*    C   2           H4*        C   2   4.882 -11.046 -11.240
  127    H3*    C   2           H3*        C   2   4.311  -8.977  -9.110
  128    H2*    C   2           H2*        C   2   1.975  -9.559  -9.440
  129   2HO*    C   2          2HO*        C   2   2.254  -9.822 -11.778
  130    H1*    C   2           H1*        C   2   2.433 -12.261  -9.481
  131   1H4     C   2          1H4         C   2   2.457 -10.449  -3.094
  132   2H4     C   2          2H4         C   2   0.792 -10.814  -3.531
  133    H5     C   2           H5         C   2   4.260 -10.408  -4.785
  134    H6     C   2           H6         C   2   4.768 -10.809  -7.112
  135   1H5*    A   3          1H5*        A   3   1.695  -8.310 -12.569
  136   2H5*    A   3          2H5*        A   3   1.335  -6.583 -12.755
  137    H4*    A   3           H4*        A   3  -0.701  -8.035 -12.417
  138    H3*    A   3           H3*        A   3  -0.088  -5.909 -10.353
  139    H2*    A   3           H2*        A   3  -2.223  -6.460  -9.360
  140   2HO*    A   3          2HO*        A   3  -3.387  -6.761 -11.301
  141    H1*    A   3           H1*        A   3  -1.831  -9.172  -9.526
  142    H8     A   3           H8         A   3   1.505  -7.553  -8.616
  143   1H6     A   3          1H6         A   3  -0.516  -8.183  -2.756
  144   2H6     A   3          2H6         A   3   0.880  -7.781  -3.750
  145    H2     A   3           H2         A   3  -3.959  -8.783  -5.447
  146   1H5*    G   4          1H5*        G   4  -4.189  -5.199 -11.999
  147   2H5*    G   4          2H5*        G   4  -4.506  -3.454 -11.976
  148    H4*    G   4           H4*        G   4  -6.183  -4.763 -10.690
  149    H3*    G   4           H3*        G   4  -4.438  -2.952  -8.982
  150    H2*    G   4           H2*        G   4  -6.027  -3.452  -7.240
  151   2HO*    G   4          2HO*        G   4  -7.800  -3.381  -8.942
  152    H1*    G   4           H1*        G   4  -6.273  -6.138  -8.025
  153    H8     G   4           H8         G   4  -5.993  -6.160  -5.434
  154    H1     G   4           H1         G   4   0.108  -4.171  -5.771
  155   1H2     G   4          1H2         G   4  -0.581  -3.689  -9.174
  156   2H2     G   4          2H2         G   4   0.615  -3.610  -7.899
  157   1H5*    G   5          1H5*        G   5  -8.371  -1.823  -7.897
  158   2H5*    G   5          2H5*        G   5  -8.438  -0.068  -7.689
  159    H4*    G   5           H4*        G   5  -9.110  -1.355  -5.658
  160    H3*    G   5           H3*        G   5  -6.666   0.422  -5.432
  161    H2*    G   5           H2*        G   5  -6.793  -0.031  -3.048
  162   2HO*    G   5          2HO*        G   5  -9.218  -0.011  -3.195
  163    H1*    G   5           H1*        G   5  -7.238  -2.707  -3.359
  164    H8     G   5           H8         G   5  -4.702  -1.876  -6.021
  165    H1     G   5           H1         G   5  -2.214  -2.071  -0.076
  166   1H2     G   5          1H2         G   5  -5.551  -1.952   0.916
  167   2H2     G   5          2H2         G   5  -3.867  -1.965   1.433
  168   1H5*    C   6          1H5*        C   6  -9.337   1.619  -2.234
  169   2H5*    C   6          2H5*        C   6  -9.290   3.383  -2.069
  170    H4*    C   6           H4*        C   6  -8.667   2.196   0.033
  171    H3*    C   6           H3*        C   6  -6.516   3.856  -1.295
  172    H2*    C   6           H2*        C   6  -5.166   3.450   0.635
  173   2HO*    C   6          2HO*        C   6  -6.843   3.716   2.170
  174    H1*    C   6           H1*        C   6  -5.877   0.794   0.868
  175   1H4     C   6          1H4         C   6  -0.929   1.166  -3.534
  176   2H4     C   6          2H4         C   6  -0.219   1.011  -1.928
  177    H5     C   6           H5         C   6  -3.379   1.478  -3.834
  178    H6     C   6           H6         C   6  -5.490   1.611  -2.668
  179   1H5*    G   7          1H5*        G   7  -6.532   7.056   3.057
  180   2H5*    G   7          2H5*        G   7  -5.037   7.289   2.111
  181    H4*    G   7           H4*        G   7  -5.609   5.149   4.219
  182    H3*    G   7           H3*        G   7  -3.533   7.353   3.925
  183    H2*    G   7           H2*        G   7  -2.128   6.062   5.353
  184   2HO*    G   7          2HO*        G   7  -4.190   5.585   6.660
  185    H1*    G   7           H1*        G   7  -3.077   3.574   4.344
  186    H8     G   7           H8         G   7  -2.176   4.895   1.176
  187    H1     G   7           H1         G   7   3.145   4.271   4.734
  188   1H2     G   7          1H2         G   7   2.552   3.853   6.901
  189   2H2     G   7          2H2         G   7   0.854   3.797   7.346
  190   1H5*    U   8          1H5*        U   8  -3.313   7.034   7.989
  191   2H5*    U   8          2H5*        U   8  -3.234   8.657   8.701
  192    H4*    U   8           H4*        U   8  -1.194   7.418   9.191
  193    H3*    U   8           H3*        U   8  -0.753   9.615   7.135
  194    H2*    U   8           H2*        U   8   1.613   9.153   7.491
  195   2HO*    U   8          2HO*        U   8   1.196   8.682   9.827
  196    H1*    U   8           H1*        U   8   1.277   6.472   7.282
  197    H3     U   8           H3         U   8   3.216   7.564   3.314
  198    H5     U   8           H5         U   8  -0.793   8.753   2.882
  199    H6     U   8           H6         U   8  -1.141   8.315   5.209
  200   1H5*    G   9          1H5*        G   9   2.086  10.308  10.360
  201   2H5*    G   9          2H5*        G   9   2.155  12.050  10.676
  202    H4*    G   9           H4*        G   9   4.369  11.132  10.252
  203    H3*    G   9           H3*        G   9   3.373  13.016   8.108
  204    H2*    G   9           H2*        G   9   5.647  12.881   7.218
  205   2HO*    G   9          2HO*        G   9   6.452  12.707   9.538
  206    H1*    G   9           H1*        G   9   5.802  10.228   7.352
  207    H8     G   9           H8         G   9   2.179  10.874   6.712
  208    H1     G   9           H1         G   9   5.832  11.271   1.438
  209   1H2     G   9          1H2         G   9   8.422  11.621   3.751
  210   2H2     G   9          2H2         G   9   7.943  11.700   2.052
  211   1H5*    C  10          1H5*        C  10   7.215  14.521   8.902
  212   2H5*    C  10          2H5*        C  10   7.121  16.286   9.032
  213    H4*    C  10           H4*        C  10   8.675  15.629   7.254
  214    H3*    C  10           H3*        C  10   6.107  16.936   6.303
  215    H2*    C  10           H2*        C  10   7.023  16.937   4.117
  216   2HO*    C  10          2HO*        C  10   9.223  16.405   3.741
  217    H1*    C  10           H1*        C  10   8.152  14.396   4.297
  218   1H4     C  10          1H4         C  10   1.751  13.757   2.689
  219   2H4     C  10          2H4         C  10   2.649  13.952   1.188
  220    H5     C  10           H5         C  10   2.843  14.013   4.897
  221    H6     C  10           H6         C  10   4.974  14.317   5.997
  222    H3T    C  10           H3T        C  10   8.701  17.990   6.241
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1   3.500  12.615 -10.363
    2   2H5*    G   1          2H5*        G   1   4.227  11.030 -10.671
    3    H4*    G   1           H4*        G   1   5.919  12.418  -9.704
    4    H3*    G   1           H3*        G   1   4.815  10.494  -7.632
    5    H2*    G   1           H2*        G   1   6.602  11.247  -6.219
    6   2HO*    G   1          2HO*        G   1   8.091  11.427  -8.110
    7    H1*    G   1           H1*        G   1   6.203  13.845  -6.714
    8    H8     G   1           H8         G   1   2.777  12.231  -6.751
    9    H1     G   1           H1         G   1   5.037  13.525  -0.866
   10   1H2     G   1          1H2         G   1   8.089  13.850  -2.533
   11   2H2     G   1          2H2         G   1   7.256  13.830  -0.980
   12    H5T    G   1           H5T        G   1   3.173  10.210  -8.885
   13   1H5*    C   2          1H5*        C   2   8.990   9.780  -7.508
   14   2H5*    C   2          2H5*        C   2   9.265   8.057  -7.212
   15    H4*    C   2           H4*        C   2  10.266   9.479  -5.469
   16    H3*    C   2           H3*        C   2   7.965   7.750  -4.529
   17    H2*    C   2           H2*        C   2   8.650   8.442  -2.295
   18   2HO*    C   2          2HO*        C   2  10.951   8.437  -2.836
   19    H1*    C   2           H1*        C   2   8.826  11.065  -2.944
   20   1H4     C   2          1H4         C   2   2.371   9.524  -2.378
   21   2H4     C   2          2H4         C   2   2.945   9.903  -0.759
   22    H5     C   2           H5         C   2   3.901   9.400  -4.308
   23    H6     C   2           H6         C   2   6.195   9.684  -5.008
   24   1H5*    A   3          1H5*        A   3  11.572   6.902  -2.243
   25   2H5*    A   3          2H5*        A   3  11.716   5.199  -1.806
   26    H4*    A   3           H4*        A   3  11.778   6.817   0.156
   27    H3*    A   3           H3*        A   3   9.677   4.654   0.040
   28    H2*    A   3           H2*        A   3   8.662   5.482   2.003
   29   2HO*    A   3          2HO*        A   3  10.903   5.864   2.884
   30    H1*    A   3           H1*        A   3   8.916   8.153   1.481
   31    H8     A   3           H8         A   3   7.730   6.710  -1.797
   32   1H6     A   3          1H6         A   3   2.067   7.216   0.680
   33   2H6     A   3          2H6         A   3   2.970   6.973  -0.806
   34    H2     A   3           H2         A   3   5.006   7.264   3.998
   35   1H5*    G   4          1H5*        G   4  10.692   0.529   1.504
   36   2H5*    G   4          2H5*        G   4   9.092   1.055   0.982
   37    H4*    G   4           H4*        G   4  10.683   1.980   3.401
   38    H3*    G   4           H3*        G   4   7.973   0.726   2.887
   39    H2*    G   4           H2*        G   4   7.174   1.729   4.901
   40   2HO*    G   4          2HO*        G   4   9.456   1.394   5.838
   41    H1*    G   4           H1*        G   4   8.281   4.186   4.397
   42    H8     G   4           H8         G   4   5.494   3.670   4.829
   43    H1     G   4           H1         G   4   4.950   3.726  -1.579
   44   1H2     G   4          1H2         G   4   8.458   3.500  -1.468
   45   2H2     G   4          2H2         G   4   7.080   3.737  -2.512
   46   1H5*    G   5          1H5*        G   5   7.803   0.075   6.758
   47   2H5*    G   5          2H5*        G   5   7.361  -1.608   7.089
   48    H4*    G   5           H4*        G   5   5.708   0.022   7.973
   49    H3*    G   5           H3*        G   5   4.784  -1.888   5.817
   50    H2*    G   5           H2*        G   5   2.559  -1.004   6.156
   51   2HO*    G   5          2HO*        G   5   3.057  -0.812   8.541
   52    H1*    G   5           H1*        G   5   3.313   1.598   6.257
   53    H8     G   5           H8         G   5   5.515   0.172   3.552
   54    H1     G   5           H1         G   5  -0.563   1.267   1.715
   55   1H2     G   5          1H2         G   5  -1.182   1.327   5.147
   56   2H2     G   5          2H2         G   5  -1.880   1.386   3.530
   57   1H5*    C   6          1H5*        C   6   1.811  -2.148   8.969
   58   2H5*    C   6          2H5*        C   6   1.337  -3.841   9.159
   59    H4*    C   6           H4*        C   6  -0.574  -2.321   8.625
   60    H3*    C   6           H3*        C   6   0.115  -4.523   6.668
   61    H2*    C   6           H2*        C   6  -1.875  -3.914   5.472
   62   2HO*    C   6          2HO*        C   6  -3.022  -3.550   7.558
   63    H1*    C   6           H1*        C   6  -1.539  -1.193   5.747
   64   1H4     C   6          1H4         C   6   2.207  -2.586   0.516
   65   2H4     C   6          2H4         C   6   0.618  -2.139  -0.086
   66    H5     C   6           H5         C   6   2.673  -2.860   2.920
   67    H6     C   6           H6         C   6   1.720  -2.701   5.130
   68   1H5*    G   7          1H5*        G   7  -4.148  -5.120   7.607
   69   2H5*    G   7          2H5*        G   7  -4.478  -6.861   7.542
   70    H4*    G   7           H4*        G   7  -5.776  -5.545   5.865
   71    H3*    G   7           H3*        G   7  -3.765  -7.524   4.774
   72    H2*    G   7           H2*        G   7  -4.713  -7.017   2.563
   73   2HO*    G   7          2HO*        G   7  -6.831  -6.709   2.827
   74    H1*    G   7           H1*        G   7  -4.603  -4.339   2.952
   75    H8     G   7           H8         G   7  -1.598  -6.059   4.687
   76    H1     G   7           H1         G   7  -0.867  -4.884  -1.597
   77   1H2     G   7          1H2         G   7  -2.909  -4.419  -2.492
   78   2H2     G   7          2H2         G   7  -4.299  -4.236  -1.440
   79   1H5*    U   8          1H5*        U   8  -7.960  -8.291   3.430
   80   2H5*    U   8          2H5*        U   8  -8.204  -9.999   3.015
   81    H4*    U   8           H4*        U   8  -8.745  -8.389   1.160
   82    H3*    U   8           H3*        U   8  -6.483 -10.347   0.646
   83    H2*    U   8           H2*        U   8  -6.623  -9.548  -1.658
   84   2HO*    U   8          2HO*        U   8  -9.013  -9.296  -1.470
   85    H1*    U   8           H1*        U   8  -6.664  -6.938  -0.907
   86    H3     U   8           H3         U   8  -2.528  -7.553  -2.673
   87    H5     U   8           H5         U   8  -2.303  -9.337   1.128
   88    H6     U   8           H6         U   8  -4.663  -9.026   1.380
   89   1H5*    G   9          1H5*        G   9  -9.428 -10.733  -2.588
   90   2H5*    G   9          2H5*        G   9  -9.609 -12.451  -2.970
   91    H4*    G   9           H4*        G   9  -9.112 -11.112  -4.953
   92    H3*    G   9           H3*        G   9  -6.984 -13.098  -4.151
   93    H2*    G   9           H2*        G   9  -5.912 -12.534  -6.272
   94   2HO*    G   9          2HO*        G   9  -8.177 -12.270  -7.221
   95    H1*    G   9           H1*        G   9  -6.144  -9.901  -5.999
   96    H8     G   9           H8         G   9  -5.743 -11.099  -2.490
   97    H1     G   9           H1         G   9  -0.203 -10.601  -5.724
   98   1H2     G   9          1H2         G   9  -2.301 -10.512  -8.513
   99   2H2     G   9          2H2         G   9  -0.639 -10.543  -7.921
  100   1H5*    C  10          1H5*        C  10  -7.429 -13.885  -8.278
  101   2H5*    C  10          2H5*        C  10  -7.533 -15.640  -8.493
  102    H4*    C  10           H4*        C  10  -5.646 -14.778  -9.761
  103    H3*    C  10           H3*        C  10  -4.794 -16.317  -7.279
  104    H2*    C  10           H2*        C  10  -2.576 -16.191  -8.139
  105   2HO*    C  10          2HO*        C  10  -3.448 -16.483 -10.395
  106    H1*    C  10           H1*        C  10  -2.795 -13.536  -8.892
  107   1H4     C  10          1H4         C  10  -1.631 -13.881  -2.341
  108   2H4     C  10          2H4         C  10  -0.073 -13.798  -3.156
  109    H5     C  10           H5         C  10  -3.747 -14.060  -3.610
  110    H6     C  10           H6         C  10  -4.698 -14.049  -5.832
  111    H3T    C  10           H3T        C  10  -5.964 -17.542  -8.784
  112   1H5*    G   1          1H5*        G   1  10.598 -13.323  -4.144
  113   2H5*    G   1          2H5*        G   1  11.015 -11.766  -4.877
  114    H4*    G   1           H4*        G   1   9.928 -13.093  -6.555
  115    H3*    G   1           H3*        G   1   8.039 -10.990  -5.449
  116    H2*    G   1           H2*        G   1   6.538 -11.637  -7.199
  117   2HO*    G   1          2HO*        G   1   8.410 -11.989  -8.706
  118    H1*    G   1           H1*        G   1   6.846 -14.271  -6.814
  119    H8     G   1           H8         G   1   6.990 -12.699  -3.379
  120    H1     G   1           H1         G   1   1.046 -13.653  -5.659
  121   1H2     G   1          1H2         G   1   2.701 -13.949  -8.724
  122   2H2     G   1          2H2         G   1   1.148 -13.910  -7.889
  123    H5T    G   1           H5T        G   1   9.302 -10.817  -3.808
  124   1H5*    C   2          1H5*        C   2   7.852 -10.367  -9.606
  125   2H5*    C   2          2H5*        C   2   7.747  -8.631  -9.932
  126    H4*    C   2           H4*        C   2   5.807  -9.860 -10.835
  127    H3*    C   2           H3*        C   2   5.191  -7.962  -8.563
  128    H2*    C   2           H2*        C   2   2.860  -8.397  -9.084
  129   2HO*    C   2          2HO*        C   2   3.276  -8.462 -11.416
  130    H1*    C   2           H1*        C   2   3.199 -11.104  -9.351
  131   1H4     C   2          1H4         C   2   2.865  -9.871  -2.836
  132   2H4     C   2          2H4         C   2   1.220 -10.112  -3.413
  133    H5     C   2           H5         C   2   4.782  -9.777  -4.397
  134    H6     C   2           H6         C   2   5.431  -9.997  -6.714
  135   1H5*    A   3          1H5*        A   3   2.825  -6.859 -12.096
  136   2H5*    A   3          2H5*        A   3   2.549  -5.108 -12.135
  137    H4*    A   3           H4*        A   3   0.439  -6.492 -12.055
  138    H3*    A   3           H3*        A   3   1.005  -4.591  -9.770
  139    H2*    A   3           H2*        A   3  -1.206  -5.138  -8.958
  140   2HO*    A   3          2HO*        A   3  -2.308  -5.214 -10.925
  141    H1*    A   3           H1*        A   3  -0.911  -7.836  -9.352
  142    H8     A   3           H8         A   3   2.422  -6.457  -8.100
  143   1H6     A   3          1H6         A   3  -0.003  -7.487  -2.453
  144   2H6     A   3          2H6         A   3   1.470  -7.053  -3.316
  145    H2     A   3           H2         A   3  -3.279  -7.712  -5.391
  146   1H5*    G   4          1H5*        G   4  -2.947  -3.555 -11.631
  147   2H5*    G   4          2H5*        G   4  -3.230  -1.816 -11.431
  148    H4*    G   4           H4*        G   4  -5.016  -3.242 -10.429
  149    H3*    G   4           H3*        G   4  -3.414  -1.626  -8.414
  150    H2*    G   4           H2*        G   4  -5.138  -2.295  -6.870
  151   2HO*    G   4          2HO*        G   4  -6.773  -2.050  -8.689
  152    H1*    G   4           H1*        G   4  -5.302  -4.887  -7.926
  153    H8     G   4           H8         G   4  -5.251  -5.089  -5.319
  154    H1     G   4           H1         G   4   0.882  -3.199  -5.006
  155   1H2     G   4          1H2         G   4   0.481  -2.442  -8.404
  156   2H2     G   4          2H2         G   4   1.569  -2.481  -7.034
  157   1H5*    G   5          1H5*        G   5  -7.427  -0.629  -7.519
  158   2H5*    G   5          2H5*        G   5  -7.537   1.073  -7.057
  159    H4*    G   5           H4*        G   5  -8.313  -0.570  -5.311
  160    H3*    G   5           H3*        G   5  -6.051   1.319  -4.623
  161    H2*    G   5           H2*        G   5  -6.287   0.488  -2.350
  162   2HO*    G   5          2HO*        G   5  -8.697   0.325  -2.704
  163    H1*    G   5           H1*        G   5  -6.468  -2.127  -3.074
  164    H8     G   5           H8         G   5  -3.858  -0.830  -5.435
  165    H1     G   5           H1         G   5  -1.731  -1.556   0.608
  166   1H2     G   5          1H2         G   5  -5.126  -1.734   1.375
  167   2H2     G   5          2H2         G   5  -3.480  -1.716   2.004
  168   1H5*    C   6          1H5*        C   6  -9.029   1.681  -1.508
  169   2H5*    C   6          2H5*        C   6  -9.192   3.371  -1.013
  170    H4*    C   6           H4*        C   6  -8.578   1.802   0.852
  171    H3*    C   6           H3*        C   6  -6.675   4.048   0.147
  172    H2*    C   6           H2*        C   6  -5.417   3.406   2.103
  173   2HO*    C   6          2HO*        C   6  -7.484   2.938   3.268
  174    H1*    C   6           H1*        C   6  -5.629   0.698   1.663
  175   1H4     C   6          1H4         C   6  -0.602   2.234  -2.272
  176   2H4     C   6          2H4         C   6   0.073   1.868  -0.692
  177    H5     C   6           H5         C   6  -3.033   2.392  -2.652
  178    H6     C   6           H6         C   6  -5.194   2.178  -1.610
  179   1H5*    G   7          1H5*        G   7  -7.505   4.372   4.431
  180   2H5*    G   7          2H5*        G   7  -7.543   6.082   4.894
  181    H4*    G   7           H4*        G   7  -5.787   4.771   6.095
  182    H3*    G   7           H3*        G   7  -4.840   6.972   4.247
  183    H2*    G   7           H2*        G   7  -2.610   6.550   5.153
  184   2HO*    G   7          2HO*        G   7  -2.927   6.128   7.272
  185    H1*    G   7           H1*        G   7  -2.816   3.846   4.912
  186    H8     G   7           H8         G   7  -4.612   5.568   1.967
  187    H1     G   7           H1         G   7   1.682   4.529   1.116
  188   1H2     G   7          1H2         G   7   2.629   4.056   3.151
  189   2H2     G   7          2H2         G   7   1.617   3.951   4.581
  190   1H5*    U   8          1H5*        U   8  -3.648   7.653   8.569
  191   2H5*    U   8          2H5*        U   8  -3.389   9.382   8.884
  192    H4*    U   8           H4*        U   8  -1.388   7.948   9.378
  193    H3*    U   8           H3*        U   8  -1.041   9.959   7.130
  194    H2*    U   8           H2*        U   8   1.315   9.313   7.219
  195   2HO*    U   8          2HO*        U   8   1.178   9.027   9.611
  196    H1*    U   8           H1*        U   8   0.742   6.654   7.248
  197    H3     U   8           H3         U   8   2.267   7.260   3.039
  198    H5     U   8           H5         U   8  -1.562   8.989   2.963
  199    H6     U   8           H6         U   8  -1.688   8.715   5.339
  200   1H5*    G   9          1H5*        G   9   2.252  10.559   9.934
  201   2H5*    G   9          2H5*        G   9   2.552  12.298  10.070
  202    H4*    G   9           H4*        G   9   4.575  11.068   9.493
  203    H3*    G   9           H3*        G   9   3.577  12.906   7.312
  204    H2*    G   9           H2*        G   9   5.723  12.426   6.230
  205   2HO*    G   9          2HO*        G   9   6.729  12.303   8.478
  206    H1*    G   9           H1*        G   9   5.566   9.788   6.567
  207    H8     G   9           H8         G   9   2.010  10.878   6.209
  208    H1     G   9           H1         G   9   5.139  10.376   0.608
  209   1H2     G   9          1H2         G   9   7.970  10.438   2.645
  210   2H2     G   9          2H2         G   9   7.346  10.452   0.994
  211   1H5*    C  10          1H5*        C  10   7.652  13.912   7.625
  212   2H5*    C  10          2H5*        C  10   7.801  15.676   7.663
  213    H4*    C  10           H4*        C  10   9.106  14.795   5.814
  214    H3*    C  10           H3*        C  10   6.570  16.202   4.896
  215    H2*    C  10           H2*        C  10   7.451  16.034   2.689
  216   2HO*    C  10          2HO*        C  10   9.689  16.439   3.563
  217    H1*    C  10           H1*        C  10   8.288  13.416   2.997
  218   1H4     C  10          1H4         C  10   1.726  13.555   1.840
  219   2H4     C  10          2H4         C  10   2.535  13.510   0.277
  220    H5     C  10           H5         C  10   3.001  13.765   3.952
  221    H6     C  10           H6         C  10   5.223  13.827   4.893
  222    H3T    C  10           H3T        C  10   8.018  17.528   6.028
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1   4.422  13.753 -10.243
    2   2H5*    G   1          2H5*        G   1   5.237  12.242 -10.675
    3    H4*    G   1           H4*        G   1   6.828  13.611  -9.525
    4    H3*    G   1           H3*        G   1   5.767  11.439  -7.688
    5    H2*    G   1           H2*        G   1   7.460  12.141  -6.141
    6   2HO*    G   1          2HO*        G   1   8.996  12.570  -7.959
    7    H1*    G   1           H1*        G   1   6.960  14.755  -6.415
    8    H8     G   1           H8         G   1   3.611  13.004  -6.694
    9    H1     G   1           H1         G   1   5.604  14.068  -0.666
   10   1H2     G   1          1H2         G   1   8.708  14.559  -2.196
   11   2H2     G   1          2H2         G   1   7.813  14.467  -0.679
   12    H5T    G   1           H5T        G   1   4.178  11.205  -9.010
   13   1H5*    C   2          1H5*        C   2   9.961  10.926  -7.465
   14   2H5*    C   2          2H5*        C   2  10.318   9.196  -7.339
   15    H4*    C   2           H4*        C   2  11.162  10.472  -5.402
   16    H3*    C   2           H3*        C   2   8.937   8.508  -4.810
   17    H2*    C   2           H2*        C   2   9.375   8.979  -2.468
   18   2HO*    C   2          2HO*        C   2  11.717   9.125  -2.841
   19    H1*    C   2           H1*        C   2   9.546  11.687  -2.817
   20   1H4     C   2          1H4         C   2   3.092  10.094  -2.699
   21   2H4     C   2          2H4         C   2   3.593  10.379  -1.036
   22    H5     C   2           H5         C   2   4.716  10.090  -4.562
   23    H6     C   2           H6         C   2   7.035  10.438  -5.135
   24   1H5*    A   3          1H5*        A   3  12.421   7.536  -2.285
   25   2H5*    A   3          2H5*        A   3  12.484   5.787  -1.996
   26    H4*    A   3           H4*        A   3  12.292   7.195   0.099
   27    H3*    A   3           H3*        A   3  10.141   5.181  -0.560
   28    H2*    A   3           H2*        A   3   9.131   5.692   1.559
   29   2HO*    A   3          2HO*        A   3  11.323   5.911   2.555
   30    H1*    A   3           H1*        A   3   9.436   8.414   1.315
   31    H8     A   3           H8         A   3   8.420   7.033  -2.097
   32   1H6     A   3          1H6         A   3   2.619   7.584   0.109
   33   2H6     A   3          2H6         A   3   3.576   7.265  -1.336
   34    H2     A   3           H2         A   3   5.404   7.900   3.516
   35   1H5*    G   4          1H5*        G   4  11.111   4.218   3.505
   36   2H5*    G   4          2H5*        G   4  11.099   2.455   3.691
   37    H4*    G   4           H4*        G   4   9.437   3.599   5.152
   38    H3*    G   4           H3*        G   4   8.284   1.830   2.981
   39    H2*    G   4           H2*        G   4   6.175   2.177   4.011
   40   2HO*    G   4          2HO*        G   4   6.731   1.886   6.167
   41    H1*    G   4           H1*        G   4   6.743   4.841   4.754
   42    H8     G   4           H8         G   4   4.288   4.800   3.949
   43    H1     G   4           H1         G   4   6.005   3.714  -2.148
   44   1H2     G   4          1H2         G   4   9.191   3.168  -0.802
   45   2H2     G   4          2H2         G   4   8.216   3.269  -2.252
   46   1H5*    G   5          1H5*        G   5   7.224   0.497   7.326
   47   2H5*    G   5          2H5*        G   5   6.954  -1.254   7.285
   48    H4*    G   5           H4*        G   5   5.098   0.133   8.338
   49    H3*    G   5           H3*        G   5   4.495  -1.706   6.014
   50    H2*    G   5           H2*        G   5   2.159  -1.155   6.365
   51   2HO*    G   5          2HO*        G   5   2.569  -1.055   8.765
   52    H1*    G   5           H1*        G   5   2.565   1.507   6.631
   53    H8     G   5           H8         G   5   4.977   0.352   3.922
   54    H1     G   5           H1         G   5  -1.115   1.023   1.953
   55   1H2     G   5          1H2         G   5  -1.819   1.045   5.371
   56   2H2     G   5          2H2         G   5  -2.475   1.056   3.734
   57   1H5*    C   6          1H5*        C   6   1.532  -2.513   9.123
   58   2H5*    C   6          2H5*        C   6   1.187  -4.245   9.161
   59    H4*    C   6           H4*        C   6  -0.821  -2.782   8.757
   60    H3*    C   6           H3*        C   6  -0.043  -4.846   6.690
   61    H2*    C   6           H2*        C   6  -2.093  -4.299   5.558
   62   2HO*    C   6          2HO*        C   6  -3.218  -4.090   7.674
   63    H1*    C   6           H1*        C   6  -1.898  -1.578   5.941
   64   1H4     C   6          1H4         C   6   1.839  -2.647   0.612
   65   2H4     C   6          2H4         C   6   0.219  -2.294   0.033
   66    H5     C   6           H5         C   6   2.357  -2.911   3.000
   67    H6     C   6           H6         C   6   1.433  -2.850   5.226
   68   1H5*    G   7          1H5*        G   7  -4.241  -5.700   7.720
   69   2H5*    G   7          2H5*        G   7  -4.495  -7.451   7.602
   70    H4*    G   7           H4*        G   7  -5.908  -6.133   6.017
   71    H3*    G   7           H3*        G   7  -3.857  -7.996   4.803
   72    H2*    G   7           H2*        G   7  -4.883  -7.462   2.638
   73   2HO*    G   7          2HO*        G   7  -7.020  -7.294   3.052
   74    H1*    G   7           H1*        G   7  -4.889  -4.791   3.107
   75    H8     G   7           H8         G   7  -1.744  -6.391   4.695
   76    H1     G   7           H1         G   7  -1.285  -5.053  -1.581
   77   1H2     G   7          1H2         G   7  -3.390  -4.693  -2.401
   78   2H2     G   7          2H2         G   7  -4.747  -4.597  -1.295
   79   1H5*    U   8          1H5*        U   8  -8.047  -8.911   3.534
   80   2H5*    U   8          2H5*        U   8  -8.220 -10.621   3.096
   81    H4*    U   8           H4*        U   8  -8.860  -9.015   1.272
   82    H3*    U   8           H3*        U   8  -6.514 -10.856   0.704
   83    H2*    U   8           H2*        U   8  -6.720 -10.037  -1.588
   84   2HO*    U   8          2HO*        U   8  -9.117  -9.904  -1.367
   85    H1*    U   8           H1*        U   8  -6.879  -7.441  -0.805
   86    H3     U   8           H3         U   8  -2.735  -7.824  -2.618
   87    H5     U   8           H5         U   8  -2.383  -9.647   1.155
   88    H6     U   8           H6         U   8  -4.753  -9.459   1.432
   89   1H5*    G   9          1H5*        G   9  -9.467 -11.354  -2.506
   90   2H5*    G   9          2H5*        G   9  -9.572 -13.078  -2.892
   91    H4*    G   9           H4*        G   9  -9.157 -11.724  -4.878
   92    H3*    G   9           H3*        G   9  -6.915 -13.587  -4.089
   93    H2*    G   9           H2*        G   9  -5.895 -12.969  -6.221
   94   2HO*    G   9          2HO*        G   9  -8.168 -12.841  -7.161
   95    H1*    G   9           H1*        G   9  -6.267 -10.355  -5.948
   96    H8     G   9           H8         G   9  -5.775 -11.537  -2.442
   97    H1     G   9           H1         G   9  -0.294 -10.746  -5.717
   98   1H2     G   9          1H2         G   9  -2.417 -10.747  -8.489
   99   2H2     G   9          2H2         G   9  -0.750 -10.699  -7.910
  100   1H5*    C  10          1H5*        C  10  -7.385 -14.429  -8.225
  101   2H5*    C  10          2H5*        C  10  -7.354 -16.190  -8.425
  102    H4*    C  10           H4*        C  10  -5.562 -15.161  -9.727
  103    H3*    C  10           H3*        C  10  -4.600 -16.705  -7.297
  104    H2*    C  10           H2*        C  10  -2.386 -16.410  -8.149
  105   2HO*    C  10          2HO*        C  10  -3.350 -16.641 -10.440
  106    H1*    C  10           H1*        C  10  -2.774 -13.761  -8.855
  107   1H4     C  10          1H4         C  10  -1.534 -14.124  -2.324
  108   2H4     C  10          2H4         C  10   0.011 -13.948  -3.151
  109    H5     C  10           H5         C  10  -3.648 -14.410  -3.579
  110    H6     C  10           H6         C  10  -4.615 -14.427  -5.794
  111    H3T    C  10           H3T        C  10  -4.465 -18.362  -8.734
  112   1H5*    G   1          1H5*        G   1  10.636 -12.929  -4.223
  113   2H5*    G   1          2H5*        G   1  10.968 -11.349  -4.951
  114    H4*    G   1           H4*        G   1   9.938 -12.720  -6.627
  115    H3*    G   1           H3*        G   1   7.952 -10.723  -5.497
  116    H2*    G   1           H2*        G   1   6.473 -11.437  -7.240
  117   2HO*    G   1          2HO*        G   1   8.350 -11.685  -8.762
  118    H1*    G   1           H1*        G   1   6.917 -14.053  -6.870
  119    H8     G   1           H8         G   1   7.009 -12.492  -3.429
  120    H1     G   1           H1         G   1   1.102 -13.731  -5.667
  121   1H2     G   1          1H2         G   1   2.744 -13.929  -8.747
  122   2H2     G   1          2H2         G   1   1.198 -13.969  -7.900
  123    H5T    G   1           H5T        G   1   9.219 -10.493  -3.865
  124   1H5*    C   2          1H5*        C   2   7.708 -10.089  -9.651
  125   2H5*    C   2          2H5*        C   2   7.510  -8.359  -9.968
  126    H4*    C   2           H4*        C   2   5.632  -9.684 -10.866
  127    H3*    C   2           H3*        C   2   4.931  -7.830  -8.582
  128    H2*    C   2           H2*        C   2   2.623  -8.385  -9.090
  129   2HO*    C   2          2HO*        C   2   3.037  -8.423 -11.427
  130    H1*    C   2           H1*        C   2   3.101 -11.069  -9.367
  131   1H4     C   2          1H4         C   2   2.756  -9.875  -2.845
  132   2H4     C   2          2H4         C   2   1.120 -10.198  -3.411
  133    H5     C   2           H5         C   2   4.653  -9.677  -4.421
  134    H6     C   2           H6         C   2   5.293  -9.855  -6.744
  135   1H5*    A   3          1H5*        A   3   2.481  -6.846 -12.089
  136   2H5*    A   3          2H5*        A   3   2.111  -5.113 -12.121
  137    H4*    A   3           H4*        A   3   0.079  -6.606 -12.026
  138    H3*    A   3           H3*        A   3   0.563  -4.682  -9.742
  139    H2*    A   3           H2*        A   3  -1.612  -5.343  -8.915
  140   2HO*    A   3          2HO*        A   3  -2.685  -5.472 -10.918
  141    H1*    A   3           H1*        A   3  -1.176  -8.022  -9.312
  142    H8     A   3           H8         A   3   2.094  -6.475  -8.092
  143   1H6     A   3          1H6         A   3  -0.217  -7.634  -2.423
  144   2H6     A   3          2H6         A   3   1.222  -7.126  -3.300
  145    H2     A   3           H2         A   3  -3.510  -8.014  -5.328
  146   1H5*    G   4          1H5*        G   4  -3.455  -3.859 -11.526
  147   2H5*    G   4          2H5*        G   4  -3.817  -2.134 -11.338
  148    H4*    G   4           H4*        G   4  -5.515  -3.624 -10.285
  149    H3*    G   4           H3*        G   4  -3.937  -1.926  -8.319
  150    H2*    G   4           H2*        G   4  -5.596  -2.649  -6.728
  151   2HO*    G   4          2HO*        G   4  -7.278  -2.481  -8.516
  152    H1*    G   4           H1*        G   4  -5.686  -5.254  -7.768
  153    H8     G   4           H8         G   4  -5.567  -5.453  -5.165
  154    H1     G   4           H1         G   4   0.492  -3.322  -4.990
  155   1H2     G   4          1H2         G   4  -0.016  -2.583  -8.379
  156   2H2     G   4          2H2         G   4   1.105  -2.582  -7.035
  157   1H5*    G   5          1H5*        G   5  -7.947  -1.072  -7.328
  158   2H5*    G   5          2H5*        G   5  -8.111   0.640  -6.924
  159    H4*    G   5           H4*        G   5  -8.788  -0.934  -5.094
  160    H3*    G   5           H3*        G   5  -6.512   0.985  -4.542
  161    H2*    G   5           H2*        G   5  -6.698   0.244  -2.236
  162   2HO*    G   5          2HO*        G   5  -9.107   0.091  -2.498
  163    H1*    G   5           H1*        G   5  -6.915  -2.400  -2.864
  164    H8     G   5           H8         G   5  -4.333  -1.103  -5.278
  165    H1     G   5           H1         G   5  -2.116  -1.848   0.731
  166   1H2     G   5          1H2         G   5  -5.494  -2.074   1.547
  167   2H2     G   5          2H2         G   5  -3.839  -2.049   2.148
  168   1H5*    C   6          1H5*        C   6  -9.479   1.526  -1.410
  169   2H5*    C   6          2H5*        C   6  -9.575   3.235  -0.962
  170    H4*    C   6           H4*        C   6  -8.996   1.713   0.944
  171    H3*    C   6           H3*        C   6  -6.958   3.806   0.139
  172    H2*    C   6           H2*        C   6  -5.758   3.161   2.131
  173   2HO*    C   6          2HO*        C   6  -7.870   2.841   3.286
  174    H1*    C   6           H1*        C   6  -6.110   0.461   1.748
  175   1H4     C   6          1H4         C   6  -1.008   2.035  -2.149
  176   2H4     C   6          2H4         C   6  -0.361   1.622  -0.565
  177    H5     C   6           H5         C   6  -3.447   2.176  -2.557
  178    H6     C   6           H6         C   6  -5.618   1.939  -1.535
  179   1H5*    G   7          1H5*        G   7  -7.600   4.351   4.383
  180   2H5*    G   7          2H5*        G   7  -7.495   6.073   4.780
  181    H4*    G   7           H4*        G   7  -5.808   4.679   5.972
  182    H3*    G   7           H3*        G   7  -4.731   6.722   4.017
  183    H2*    G   7           H2*        G   7  -2.519   6.170   4.948
  184   2HO*    G   7          2HO*        G   7  -3.093   5.866   7.112
  185    H1*    G   7           H1*        G   7  -2.939   3.492   4.751
  186    H8     G   7           H8         G   7  -4.706   5.125   1.768
  187    H1     G   7           H1         G   7   1.656   4.439   1.064
  188   1H2     G   7          1H2         G   7   2.539   3.858   3.037
  189   2H2     G   7          2H2         G   7   1.528   3.643   4.471
  190   1H5*    U   8          1H5*        U   8  -3.296   7.340   8.139
  191   2H5*    U   8          2H5*        U   8  -2.948   9.047   8.467
  192    H4*    U   8           H4*        U   8  -0.996   7.514   8.846
  193    H3*    U   8           H3*        U   8  -0.680   9.589   6.649
  194    H2*    U   8           H2*        U   8   1.665   8.927   6.693
  195   2HO*    U   8          2HO*        U   8   1.575   8.587   9.078
  196    H1*    U   8           H1*        U   8   1.066   6.274   6.671
  197    H3     U   8           H3         U   8   2.722   7.239   2.531
  198    H5     U   8           H5         U   8  -1.217   8.704   2.449
  199    H6     U   8           H6         U   8  -1.403   8.244   4.796
  200   1H5*    G   9          1H5*        G   9   2.526  10.093   9.586
  201   2H5*    G   9          2H5*        G   9   2.753  11.823   9.888
  202    H4*    G   9           H4*        G   9   4.854  10.705   9.337
  203    H3*    G   9           H3*        G   9   3.896  12.728   7.306
  204    H2*    G   9           H2*        G   9   6.085  12.426   6.258
  205   2HO*    G   9          2HO*        G   9   7.013  12.100   8.524
  206    H1*    G   9           H1*        G   9   6.019   9.771   6.311
  207    H8     G   9           H8         G   9   2.416  10.569   5.944
  208    H1     G   9           H1         G   9   5.751  10.991   0.453
  209   1H2     G   9          1H2         G   9   8.502  10.987   2.607
  210   2H2     G   9          2H2         G   9   7.946  11.086   0.936
  211   1H5*    C  10          1H5*        C  10   7.907  13.836   7.882
  212   2H5*    C  10          2H5*        C  10   7.982  15.588   8.131
  213    H4*    C  10           H4*        C  10   9.376  14.987   6.237
  214    H3*    C  10           H3*        C  10   6.804  16.382   5.404
  215    H2*    C  10           H2*        C  10   7.745  16.503   3.221
  216   2HO*    C  10          2HO*        C  10   9.939  16.904   4.204
  217    H1*    C  10           H1*        C  10   8.700  13.908   3.258
  218   1H4     C  10          1H4         C  10   2.181  13.835   1.904
  219   2H4     C  10          2H4         C  10   3.039  13.976   0.374
  220    H5     C  10           H5         C  10   3.379  13.896   4.069
  221    H6     C  10           H6         C  10   5.567  13.966   5.087
  222    H3T    C  10           H3T        C  10   8.160  17.629   6.724
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1   4.637  13.900 -10.536
    2   2H5*    G   1          2H5*        G   1   5.128  12.204 -10.701
    3    H4*    G   1           H4*        G   1   6.788  13.599  -9.474
    4    H3*    G   1           H3*        G   1   5.481  11.375  -7.875
    5    H2*    G   1           H2*        G   1   7.162  11.901  -6.198
    6   2HO*    G   1          2HO*        G   1   8.798  12.336  -7.893
    7    H1*    G   1           H1*        G   1   6.833  14.561  -6.385
    8    H8     G   1           H8         G   1   3.411  12.862  -6.670
    9    H1     G   1           H1         G   1   5.440  14.008  -0.670
   10   1H2     G   1          1H2         G   1   8.536  14.475  -2.224
   11   2H2     G   1          2H2         G   1   7.650  14.413  -0.701
   12    H5T    G   1           H5T        G   1   3.300  13.277  -8.813
   13   1H5*    C   2          1H5*        C   2   9.826  10.795  -7.541
   14   2H5*    C   2          2H5*        C   2  10.132   9.060  -7.386
   15    H4*    C   2           H4*        C   2  10.993  10.388  -5.469
   16    H3*    C   2           H3*        C   2   8.799   8.398  -4.850
   17    H2*    C   2           H2*        C   2   9.277   8.884  -2.509
   18   2HO*    C   2          2HO*        C   2  11.606   9.066  -2.926
   19    H1*    C   2           H1*        C   2   9.397  11.592  -2.888
   20   1H4     C   2          1H4         C   2   2.956   9.988  -2.646
   21   2H4     C   2          2H4         C   2   3.475  10.328  -1.000
   22    H5     C   2           H5         C   2   4.556   9.914  -4.526
   23    H6     C   2           H6         C   2   6.865  10.235  -5.141
   24   1H5*    A   3          1H5*        A   3  12.336   7.484  -2.366
   25   2H5*    A   3          2H5*        A   3  12.421   5.738  -2.064
   26    H4*    A   3           H4*        A   3  12.251   7.157   0.023
   27    H3*    A   3           H3*        A   3  10.101   5.126  -0.587
   28    H2*    A   3           H2*        A   3   9.120   5.648   1.543
   29   2HO*    A   3          2HO*        A   3  11.322   5.882   2.507
   30    H1*    A   3           H1*        A   3   9.411   8.370   1.278
   31    H8     A   3           H8         A   3   8.346   6.931  -2.102
   32   1H6     A   3          1H6         A   3   2.577   7.537   0.172
   33   2H6     A   3          2H6         A   3   3.513   7.176  -1.275
   34    H2     A   3           H2         A   3   5.411   7.929   3.532
   35   1H5*    G   4          1H5*        G   4  11.159   4.199   3.478
   36   2H5*    G   4          2H5*        G   4  11.147   2.437   3.675
   37    H4*    G   4           H4*        G   4   9.517   3.588   5.163
   38    H3*    G   4           H3*        G   4   8.310   1.821   3.019
   39    H2*    G   4           H2*        G   4   6.227   2.176   4.103
   40   2HO*    G   4          2HO*        G   4   6.860   1.890   6.244
   41    H1*    G   4           H1*        G   4   6.818   4.842   4.814
   42    H8     G   4           H8         G   4   4.351   4.826   4.052
   43    H1     G   4           H1         G   4   5.934   3.615  -2.058
   44   1H2     G   4          1H2         G   4   9.148   3.087  -0.771
   45   2H2     G   4          2H2         G   4   8.141   3.162  -2.201
   46   1H5*    G   5          1H5*        G   5   7.287   0.472   7.351
   47   2H5*    G   5          2H5*        G   5   7.009  -1.277   7.302
   48    H4*    G   5           H4*        G   5   5.156   0.117   8.352
   49    H3*    G   5           H3*        G   5   4.554  -1.716   6.022
   50    H2*    G   5           H2*        G   5   2.218  -1.157   6.368
   51   2HO*    G   5          2HO*        G   5   2.621  -1.062   8.769
   52    H1*    G   5           H1*        G   5   2.635   1.503   6.639
   53    H8     G   5           H8         G   5   5.050   0.353   3.934
   54    H1     G   5           H1         G   5  -1.035   1.041   1.951
   55   1H2     G   5          1H2         G   5  -1.751   1.040   5.367
   56   2H2     G   5          2H2         G   5  -2.401   1.064   3.728
   57   1H5*    C   6          1H5*        C   6   1.579  -2.516   9.122
   58   2H5*    C   6          2H5*        C   6   1.225  -4.247   9.156
   59    H4*    C   6           H4*        C   6  -0.774  -2.771   8.748
   60    H3*    C   6           H3*        C   6  -0.002  -4.842   6.685
   61    H2*    C   6           H2*        C   6  -2.045  -4.283   5.546
   62   2HO*    C   6          2HO*        C   6  -3.176  -4.065   7.657
   63    H1*    C   6           H1*        C   6  -1.835  -1.563   5.926
   64   1H4     C   6          1H4         C   6   1.917  -2.636   0.612
   65   2H4     C   6          2H4         C   6   0.301  -2.278   0.028
   66    H5     C   6           H5         C   6   2.425  -2.908   3.002
   67    H6     C   6           H6         C   6   1.492  -2.849   5.224
   68   1H5*    G   7          1H5*        G   7  -4.210  -5.664   7.706
   69   2H5*    G   7          2H5*        G   7  -4.479  -7.413   7.586
   70    H4*    G   7           H4*        G   7  -5.876  -6.081   5.998
   71    H3*    G   7           H3*        G   7  -3.840  -7.963   4.790
   72    H2*    G   7           H2*        G   7  -4.853  -7.418   2.621
   73   2HO*    G   7          2HO*        G   7  -6.984  -7.216   2.998
   74    H1*    G   7           H1*        G   7  -4.833  -4.747   3.091
   75    H8     G   7           H8         G   7  -1.711  -6.384   4.688
   76    H1     G   7           H1         G   7  -1.213  -5.035  -1.582
   77   1H2     G   7          1H2         G   7  -3.309  -4.652  -2.410
   78   2H2     G   7          2H2         G   7  -4.670  -4.546  -1.310
   79   1H5*    U   8          1H5*        U   8  -8.040  -8.826   3.517
   80   2H5*    U   8          2H5*        U   8  -8.236 -10.533   3.075
   81    H4*    U   8           H4*        U   8  -8.858  -8.912   1.256
   82    H3*    U   8           H3*        U   8  -6.538 -10.783   0.679
   83    H2*    U   8           H2*        U   8  -6.735  -9.952  -1.610
   84   2HO*    U   8          2HO*        U   8  -9.129  -9.787  -1.387
   85    H1*    U   8           H1*        U   8  -6.855  -7.357  -0.817
   86    H3     U   8           H3         U   8  -2.713  -7.781  -2.625
   87    H5     U   8           H5         U   8  -2.390  -9.632   1.136
   88    H6     U   8           H6         U   8  -4.758  -9.418   1.410
   89   1H5*    G   9          1H5*        G   9  -9.498 -11.236  -2.527
   90   2H5*    G   9          2H5*        G   9  -9.619 -12.956  -2.927
   91    H4*    G   9           H4*        G   9  -9.184 -11.585  -4.899
   92    H3*    G   9           H3*        G   9  -6.967 -13.484  -4.127
   93    H2*    G   9           H2*        G   9  -5.936 -12.854  -6.248
   94   2HO*    G   9          2HO*        G   9  -8.205 -12.689  -7.192
   95    H1*    G   9           H1*        G   9  -6.276 -10.239  -5.947
   96    H8     G   9           H8         G   9  -5.805 -11.466  -2.455
   97    H1     G   9           H1         G   9  -0.307 -10.740  -5.716
   98   1H2     G   9          1H2         G   9  -2.427 -10.664  -8.490
   99   2H2     G   9          2H2         G   9  -0.760 -10.666  -7.909
  100   1H5*    C  10          1H5*        C  10  -7.460 -14.280  -8.270
  101   2H5*    C  10          2H5*        C  10  -7.422 -16.037  -8.501
  102    H4*    C  10           H4*        C  10  -5.635 -14.934  -9.780
  103    H3*    C  10           H3*        C  10  -4.703 -16.640  -7.450
  104    H2*    C  10           H2*        C  10  -2.481 -16.288  -8.208
  105   2HO*    C  10          2HO*        C  10  -2.050 -15.300 -10.231
  106    H1*    C  10           H1*        C  10  -2.847 -13.595  -8.836
  107   1H4     C  10          1H4         C  10  -1.597 -14.130  -2.340
  108   2H4     C  10          2H4         C  10  -0.049 -13.972  -3.162
  109    H5     C  10           H5         C  10  -3.715 -14.368  -3.596
  110    H6     C  10           H6         C  10  -4.686 -14.335  -5.813
  111    H3T    C  10           H3T        C  10  -4.417 -17.158 -10.188
  112   1H5*    G   1          1H5*        G   1  10.595 -13.120  -4.197
  113   2H5*    G   1          2H5*        G   1  10.953 -11.547  -4.927
  114    H4*    G   1           H4*        G   1   9.899 -12.904  -6.601
  115    H3*    G   1           H3*        G   1   7.948 -10.871  -5.472
  116    H2*    G   1           H2*        G   1   6.456 -11.563  -7.213
  117   2HO*    G   1          2HO*        G   1   8.327 -11.846  -8.735
  118    H1*    G   1           H1*        G   1   6.856 -14.186  -6.839
  119    H8     G   1           H8         G   1   6.976 -12.623  -3.399
  120    H1     G   1           H1         G   1   1.047 -13.753  -5.637
  121   1H2     G   1          1H2         G   1   2.687 -13.979  -8.717
  122   2H2     G   1          2H2         G   1   1.139 -13.987  -7.871
  123    H5T    G   1           H5T        G   1   9.218 -10.660  -3.841
  124   1H5*    C   2          1H5*        C   2   7.716 -10.244  -9.631
  125   2H5*    C   2          2H5*        C   2   7.549  -8.512  -9.953
  126    H4*    C   2           H4*        C   2   5.650  -9.808 -10.851
  127    H3*    C   2           H3*        C   2   4.978  -7.935  -8.574
  128    H2*    C   2           H2*        C   2   2.661  -8.450  -9.085
  129   2HO*    C   2          2HO*        C   2   3.084  -8.502 -11.423
  130    H1*    C   2           H1*        C   2   3.093 -11.143  -9.356
  131   1H4     C   2          1H4         C   2   2.749  -9.929  -2.838
  132   2H4     C   2          2H4         C   2   1.110 -10.225  -3.407
  133    H5     C   2           H5         C   2   4.654  -9.768  -4.408
  134    H6     C   2           H6         C   2   5.297  -9.962  -6.729
  135   1H5*    A   3          1H5*        A   3   2.549  -6.916 -12.085
  136   2H5*    A   3          2H5*        A   3   2.212  -5.175 -12.122
  137    H4*    A   3           H4*        A   3   0.153  -6.631 -12.025
  138    H3*    A   3           H3*        A   3   0.670  -4.711  -9.744
  139    H2*    A   3           H2*        A   3  -1.519  -5.331  -8.919
  140   2HO*    A   3          2HO*        A   3  -2.601  -5.447 -10.912
  141    H1*    A   3           H1*        A   3  -1.130  -8.017  -9.308
  142    H8     A   3           H8         A   3   2.167  -6.531  -8.088
  143   1H6     A   3          1H6         A   3  -0.178  -7.625  -2.420
  144   2H6     A   3          2H6         A   3   1.273  -7.148  -3.294
  145    H2     A   3           H2         A   3  -3.472  -7.948  -5.329
  146   1H5*    G   4          1H5*        G   4  -3.330  -3.823 -11.545
  147   2H5*    G   4          2H5*        G   4  -3.668  -2.093 -11.356
  148    H4*    G   4           H4*        G   4  -5.392  -3.563 -10.315
  149    H3*    G   4           H3*        G   4  -3.806  -1.885  -8.337
  150    H2*    G   4           H2*        G   4  -5.488  -2.587  -6.760
  151   2HO*    G   4          2HO*        G   4  -7.154  -2.402  -8.560
  152    H1*    G   4           H1*        G   4  -5.597  -5.191  -7.796
  153    H8     G   4           H8         G   4  -5.501  -5.373  -5.189
  154    H1     G   4           H1         G   4   0.587  -3.329  -4.985
  155   1H2     G   4          1H2         G   4   0.111  -2.599  -8.380
  156   2H2     G   4          2H2         G   4   1.223  -2.608  -7.029
  157   1H5*    G   5          1H5*        G   5  -7.813  -0.989  -7.375
  158   2H5*    G   5          2H5*        G   5  -7.962   0.722  -6.962
  159    H4*    G   5           H4*        G   5  -8.669  -0.861  -5.148
  160    H3*    G   5           H3*        G   5  -6.390   1.045  -4.565
  161    H2*    G   5           H2*        G   5  -6.598   0.291  -2.265
  162   2HO*    G   5          2HO*        G   5  -9.006   0.146  -2.550
  163    H1*    G   5           H1*        G   5  -6.815  -2.347  -2.908
  164    H8     G   5           H8         G   5  -4.216  -1.051  -5.303
  165    H1     G   5           H1         G   5  -2.034  -1.817   0.717
  166   1H2     G   5          1H2         G   5  -5.417  -2.036   1.514
  167   2H2     G   5          2H2         G   5  -3.765  -2.019   2.125
  168   1H5*    C   6          1H5*        C   6  -9.381   1.573  -1.457
  169   2H5*    C   6          2H5*        C   6  -9.480   3.279  -0.997
  170    H4*    C   6           H4*        C   6  -8.917   1.742   0.903
  171    H3*    C   6           H3*        C   6  -6.876   3.844   0.131
  172    H2*    C   6           H2*        C   6  -5.691   3.185   2.127
  173   2HO*    C   6          2HO*        C   6  -7.808   2.853   3.265
  174    H1*    C   6           H1*        C   6  -6.033   0.487   1.721
  175   1H4     C   6          1H4         C   6  -0.911   2.082  -2.137
  176   2H4     C   6          2H4         C   6  -0.272   1.664  -0.553
  177    H5     C   6           H5         C   6  -3.346   2.225  -2.558
  178    H6     C   6           H6         C   6  -5.523   1.984  -1.550
  179   1H5*    G   7          1H5*        G   7  -7.579   4.351   4.375
  180   2H5*    G   7          2H5*        G   7  -7.477   6.069   4.791
  181    H4*    G   7           H4*        G   7  -5.810   4.655   5.992
  182    H3*    G   7           H3*        G   7  -4.706   6.728   4.083
  183    H2*    G   7           H2*        G   7  -2.507   6.162   5.033
  184   2HO*    G   7          2HO*        G   7  -3.193   5.833   7.192
  185    H1*    G   7           H1*        G   7  -2.923   3.485   4.794
  186    H8     G   7           H8         G   7  -4.648   5.157   1.808
  187    H1     G   7           H1         G   7   1.721   4.453   1.180
  188   1H2     G   7          1H2         G   7   2.576   3.865   3.164
  189   2H2     G   7          2H2         G   7   1.545   3.639   4.582
  190   1H5*    U   8          1H5*        U   8  -3.280   7.298   8.216
  191   2H5*    U   8          2H5*        U   8  -2.946   9.005   8.558
  192    H4*    U   8           H4*        U   8  -0.980   7.490   8.917
  193    H3*    U   8           H3*        U   8  -0.692   9.577   6.728
  194    H2*    U   8           H2*        U   8   1.661   8.939   6.762
  195   2HO*    U   8          2HO*        U   8   1.573   8.586   9.148
  196    H1*    U   8           H1*        U   8   1.087   6.280   6.730
  197    H3     U   8           H3         U   8   2.713   7.267   2.587
  198    H5     U   8           H5         U   8  -1.238   8.703   2.527
  199    H6     U   8           H6         U   8  -1.407   8.236   4.874
  200   1H5*    G   9          1H5*        G   9   2.540  10.101   9.625
  201   2H5*    G   9          2H5*        G   9   2.752  11.833   9.929
  202    H4*    G   9           H4*        G   9   4.858  10.747   9.345
  203    H3*    G   9           H3*        G   9   3.843  12.750   7.322
  204    H2*    G   9           H2*        G   9   6.023  12.478   6.248
  205   2HO*    G   9          2HO*        G   9   6.984  12.173   8.503
  206    H1*    G   9           H1*        G   9   5.997   9.822   6.311
  207    H8     G   9           H8         G   9   2.381  10.588   5.984
  208    H1     G   9           H1         G   9   5.640  10.967   0.446
  209   1H2     G   9          1H2         G   9   8.420  11.007   2.561
  210   2H2     G   9          2H2         G   9   7.841  11.078   0.897
  211   1H5*    C  10          1H5*        C  10   7.841  13.923   7.858
  212   2H5*    C  10          2H5*        C  10   7.895  15.678   8.089
  213    H4*    C  10           H4*        C  10   9.276  15.074   6.185
  214    H3*    C  10           H3*        C  10   6.678  16.430   5.366
  215    H2*    C  10           H2*        C  10   7.597  16.541   3.172
  216   2HO*    C  10          2HO*        C  10   9.796  16.977   4.129
  217    H1*    C  10           H1*        C  10   8.583  13.957   3.226
  218   1H4     C  10          1H4         C  10   2.053  13.796   1.931
  219   2H4     C  10          2H4         C  10   2.897  13.925   0.391
  220    H5     C  10           H5         C  10   3.268  13.898   4.084
  221    H6     C  10           H6         C  10   5.465  14.006   5.084
  222    H3T    C  10           H3T        C  10   8.034  17.706   6.659
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1   3.408  12.626 -10.428
    2   2H5*    G   1          2H5*        G   1   4.136  11.042 -10.738
    3    H4*    G   1           H4*        G   1   5.827  12.429  -9.767
    4    H3*    G   1           H3*        G   1   4.723  10.501  -7.699
    5    H2*    G   1           H2*        G   1   6.510  11.253  -6.284
    6   2HO*    G   1          2HO*        G   1   8.000  11.437  -8.173
    7    H1*    G   1           H1*        G   1   6.109  13.852  -6.775
    8    H8     G   1           H8         G   1   2.684  12.232  -6.813
    9    H1     G   1           H1         G   1   4.943  13.530  -0.929
   10   1H2     G   1          1H2         G   1   7.994  13.858  -2.599
   11   2H2     G   1          2H2         G   1   7.161  13.834  -1.044
   12    H5T    G   1           H5T        G   1   3.081  10.219  -8.954
   13   1H5*    C   2          1H5*        C   2   8.907   9.787  -7.590
   14   2H5*    C   2          2H5*        C   2   9.182   8.065  -7.291
   15    H4*    C   2           H4*        C   2  10.191   9.494  -5.556
   16    H3*    C   2           H3*        C   2   7.898   7.762  -4.601
   17    H2*    C   2           H2*        C   2   8.592   8.460  -2.373
   18   2HO*    C   2          2HO*        C   2  10.891   8.458  -2.929
   19    H1*    C   2           H1*        C   2   8.762  11.082  -3.028
   20   1H4     C   2          1H4         C   2   2.315   9.524  -2.417
   21   2H4     C   2          2H4         C   2   2.896   9.911  -0.802
   22    H5     C   2           H5         C   2   3.832   9.401  -4.355
   23    H6     C   2           H6         C   2   6.120   9.689  -5.071
   24   1H5*    A   3          1H5*        A   3  11.518   6.925  -2.324
   25   2H5*    A   3          2H5*        A   3  11.662   5.224  -1.877
   26    H4*    A   3           H4*        A   3  11.732   6.855   0.074
   27    H3*    A   3           H3*        A   3   9.625   4.696  -0.012
   28    H2*    A   3           H2*        A   3   8.631   5.544   1.956
   29   2HO*    A   3          2HO*        A   3  10.875   5.931   2.817
   30    H1*    A   3           H1*        A   3   8.874   8.204   1.401
   31    H8     A   3           H8         A   3   7.674   6.732  -1.858
   32   1H6     A   3          1H6         A   3   2.024   7.208   0.654
   33   2H6     A   3          2H6         A   3   2.918   6.965  -0.838
   34    H2     A   3           H2         A   3   4.984   7.300   3.951
   35   1H5*    G   4          1H5*        G   4  10.643   0.584   1.548
   36   2H5*    G   4          2H5*        G   4   9.032   1.097   1.044
   37    H4*    G   4           H4*        G   4  10.670   2.085   3.405
   38    H3*    G   4           H3*        G   4   7.949   0.821   2.980
   39    H2*    G   4           H2*        G   4   7.187   1.892   4.976
   40   2HO*    G   4          2HO*        G   4   9.485   1.590   5.882
   41    H1*    G   4           H1*        G   4   8.271   4.331   4.366
   42    H8     G   4           H8         G   4   5.487   3.775   4.847
   43    H1     G   4           H1         G   4   4.889   3.704  -1.557
   44   1H2     G   4          1H2         G   4   8.400   3.523  -1.475
   45   2H2     G   4          2H2         G   4   7.007   3.719  -2.508
   46   1H5*    G   5          1H5*        G   5   7.822   0.331   6.864
   47   2H5*    G   5          2H5*        G   5   7.381  -1.334   7.278
   48    H4*    G   5           H4*        G   5   5.745   0.357   8.098
   49    H3*    G   5           H3*        G   5   4.800  -1.696   6.090
   50    H2*    G   5           H2*        G   5   2.572  -0.799   6.384
   51   2HO*    G   5          2HO*        G   5   3.116  -0.431   8.750
   52    H1*    G   5           H1*        G   5   3.312   1.807   6.302
   53    H8     G   5           H8         G   5   5.523   0.297   3.671
   54    H1     G   5           H1         G   5  -0.587   1.172   1.825
   55   1H2     G   5          1H2         G   5  -1.198   1.304   5.257
   56   2H2     G   5          2H2         G   5  -1.903   1.315   3.641
   57   1H5*    C   6          1H5*        C   6   1.779  -1.711   9.184
   58   2H5*    C   6          2H5*        C   6   1.402  -3.397   9.564
   59    H4*    C   6           H4*        C   6  -0.607  -2.109   8.872
   60    H3*    C   6           H3*        C   6   0.313  -4.402   7.134
   61    H2*    C   6           H2*        C   6  -1.595  -4.085   5.785
   62   2HO*    C   6          2HO*        C   6  -3.086  -3.871   7.505
   63    H1*    C   6           H1*        C   6  -1.649  -1.305   5.960
   64   1H4     C   6          1H4         C   6   2.260  -2.615   0.798
   65   2H4     C   6          2H4         C   6   0.657  -2.278   0.167
   66    H5     C   6           H5         C   6   2.719  -2.759   3.212
   67    H6     C   6           H6         C   6   1.741  -2.560   5.410
   68   1H5*    G   7          1H5*        G   7  -3.651  -7.764   7.160
   69   2H5*    G   7          2H5*        G   7  -2.370  -7.163   6.094
   70    H4*    G   7           H4*        G   7  -5.186  -6.011   6.301
   71    H3*    G   7           H3*        G   7  -3.782  -7.858   4.372
   72    H2*    G   7           H2*        G   7  -4.859  -6.790   2.488
   73   2HO*    G   7          2HO*        G   7  -6.860  -6.506   3.851
   74    H1*    G   7           H1*        G   7  -4.363  -4.254   3.310
   75    H8     G   7           H8         G   7  -1.312  -6.017   4.644
   76    H1     G   7           H1         G   7  -1.098  -4.907  -1.686
   77   1H2     G   7          1H2         G   7  -3.227  -4.461  -2.419
   78   2H2     G   7          2H2         G   7  -4.530  -4.283  -1.253
   79   1H5*    U   8          1H5*        U   8  -7.923  -7.987   3.211
   80   2H5*    U   8          2H5*        U   8  -8.386  -9.645   2.785
   81    H4*    U   8           H4*        U   8  -8.718  -8.049   0.919
   82    H3*    U   8           H3*        U   8  -6.556 -10.134   0.464
   83    H2*    U   8           H2*        U   8  -6.598  -9.350  -1.834
   84   2HO*    U   8          2HO*        U   8  -8.977  -8.976  -1.719
   85    H1*    U   8           H1*        U   8  -6.523  -6.735  -1.111
   86    H3     U   8           H3         U   8  -2.403  -7.674  -2.788
   87    H5     U   8           H5         U   8  -2.349  -9.296   1.091
   88    H6     U   8           H6         U   8  -4.697  -8.840   1.274
   89   1H5*    G   9          1H5*        G   9  -9.470 -10.410  -2.820
   90   2H5*    G   9          2H5*        G   9  -9.715 -12.122  -3.195
   91    H4*    G   9           H4*        G   9  -9.128 -10.820  -5.176
   92    H3*    G   9           H3*        G   9  -7.087 -12.877  -4.328
   93    H2*    G   9           H2*        G   9  -5.970 -12.367  -6.438
   94   2HO*    G   9          2HO*        G   9  -8.199 -12.032  -7.430
   95    H1*    G   9           H1*        G   9  -6.100  -9.728  -6.177
   96    H8     G   9           H8         G   9  -5.798 -10.951  -2.662
   97    H1     G   9           H1         G   9  -0.202 -10.693  -5.830
   98   1H2     G   9          1H2         G   9  -2.262 -10.447  -8.637
   99   2H2     G   9          2H2         G   9  -0.609 -10.568  -8.031
  100   1H5*    C  10          1H5*        C  10  -7.580 -13.680  -8.481
  101   2H5*    C  10          2H5*        C  10  -7.671 -15.437  -8.695
  102    H4*    C  10           H4*        C  10  -5.795 -14.478  -9.965
  103    H3*    C  10           H3*        C  10  -5.016 -16.237  -7.619
  104    H2*    C  10           H2*        C  10  -2.767 -16.063  -8.365
  105   2HO*    C  10          2HO*        C  10  -2.249 -15.121 -10.389
  106    H1*    C  10           H1*        C  10  -2.920 -13.353  -9.005
  107   1H4     C  10          1H4         C  10  -1.766 -13.973  -2.496
  108   2H4     C  10          2H4         C  10  -0.204 -13.934  -3.305
  109    H5     C  10           H5         C  10  -3.885 -14.040  -3.768
  110    H6     C  10           H6         C  10  -4.833 -13.934  -5.993
  111    H3T    C  10           H3T        C  10  -4.754 -16.792 -10.352
  112   1H5*    G   1          1H5*        G   1  10.470 -13.741  -4.231
  113   2H5*    G   1          2H5*        G   1  10.949 -12.185  -4.928
  114    H4*    G   1           H4*        G   1   9.824 -13.431  -6.640
  115    H3*    G   1           H3*        G   1   8.004 -11.289  -5.495
  116    H2*    G   1           H2*        G   1   6.492 -11.842  -7.269
  117   2HO*    G   1          2HO*        G   1   8.353 -12.224  -8.776
  118    H1*    G   1           H1*        G   1   6.703 -14.492  -6.940
  119    H8     G   1           H8         G   1   6.888 -12.992  -3.471
  120    H1     G   1           H1         G   1   0.924 -13.757  -5.770
  121   1H2     G   1          1H2         G   1   2.572 -14.029  -8.841
  122   2H2     G   1          2H2         G   1   1.020 -13.972  -8.005
  123    H5T    G   1           H5T        G   1   9.267 -11.196  -3.848
  124   1H5*    C   2          1H5*        C   2   7.900 -10.557  -9.651
  125   2H5*    C   2          2H5*        C   2   7.846  -8.811  -9.936
  126    H4*    C   2           H4*        C   2   5.887  -9.971 -10.894
  127    H3*    C   2           H3*        C   2   5.290  -8.102  -8.593
  128    H2*    C   2           H2*        C   2   2.957  -8.467  -9.146
  129   2HO*    C   2          2HO*        C   2   3.400  -8.496 -11.475
  130    H1*    C   2           H1*        C   2   3.230 -11.177  -9.468
  131   1H4     C   2          1H4         C   2   2.841 -10.070  -2.933
  132   2H4     C   2          2H4         C   2   1.198 -10.269  -3.530
  133    H5     C   2           H5         C   2   4.777  -9.985  -4.466
  134    H6     C   2           H6         C   2   5.451 -10.169  -6.777
  135   1H5*    A   3          1H5*        A   3   2.976  -6.857 -12.129
  136   2H5*    A   3          2H5*        A   3   2.735  -5.100 -12.117
  137    H4*    A   3           H4*        A   3   0.600  -6.447 -12.094
  138    H3*    A   3           H3*        A   3   1.172  -4.616  -9.754
  139    H2*    A   3           H2*        A   3  -1.059  -5.151  -8.979
  140   2HO*    A   3          2HO*        A   3  -2.070  -5.172 -11.038
  141    H1*    A   3           H1*        A   3  -0.792  -7.840  -9.420
  142    H8     A   3           H8         A   3   2.563  -6.534  -8.134
  143   1H6     A   3          1H6         A   3   0.083  -7.572  -2.509
  144   2H6     A   3          2H6         A   3   1.568  -7.160  -3.356
  145    H2     A   3           H2         A   3  -3.173  -7.721  -5.474
  146   1H5*    G   4          1H5*        G   4  -2.780  -3.526 -11.518
  147   2H5*    G   4          2H5*        G   4  -3.059  -1.793 -11.276
  148    H4*    G   4           H4*        G   4  -4.820  -3.257 -10.276
  149    H3*    G   4           H3*        G   4  -3.215  -1.641  -8.264
  150    H2*    G   4           H2*        G   4  -4.927  -2.337  -6.711
  151   2HO*    G   4          2HO*        G   4  -6.575  -2.103  -8.517
  152    H1*    G   4           H1*        G   4  -5.060  -4.925  -7.778
  153    H8     G   4           H8         G   4  -4.996  -5.073  -5.154
  154    H1     G   4           H1         G   4   1.172  -3.285  -4.953
  155   1H2     G   4          1H2         G   4   0.727  -2.535  -8.348
  156   2H2     G   4          2H2         G   4   1.839  -2.594  -6.997
  157   1H5*    G   5          1H5*        G   5  -7.268  -0.698  -7.392
  158   2H5*    G   5          2H5*        G   5  -7.408   1.000  -6.926
  159    H4*    G   5           H4*        G   5  -8.195  -0.664  -5.201
  160    H3*    G   5           H3*        G   5  -5.984   1.269  -4.471
  161    H2*    G   5           H2*        G   5  -6.238   0.431  -2.205
  162   2HO*    G   5          2HO*        G   5  -8.640   0.234  -2.596
  163    H1*    G   5           H1*        G   5  -6.380  -2.187  -2.928
  164    H8     G   5           H8         G   5  -3.733  -0.887  -5.236
  165    H1     G   5           H1         G   5  -1.709  -1.674   0.833
  166   1H2     G   5          1H2         G   5  -5.115  -1.788   1.557
  167   2H2     G   5          2H2         G   5  -3.476  -1.804   2.204
  168   1H5*    C   6          1H5*        C   6  -9.029   1.594  -1.414
  169   2H5*    C   6          2H5*        C   6  -9.219   3.282  -0.919
  170    H4*    C   6           H4*        C   6  -8.602   1.726   0.954
  171    H3*    C   6           H3*        C   6  -6.709   3.983   0.256
  172    H2*    C   6           H2*        C   6  -5.452   3.349   2.213
  173   2HO*    C   6          2HO*        C   6  -7.525   2.871   3.370
  174    H1*    C   6           H1*        C   6  -5.649   0.639   1.780
  175   1H4     C   6          1H4         C   6  -0.622   2.162  -2.153
  176   2H4     C   6          2H4         C   6   0.051   1.770  -0.578
  177    H5     C   6           H5         C   6  -3.051   2.359  -2.528
  178    H6     C   6           H6         C   6  -5.212   2.157  -1.485
  179   1H5*    G   7          1H5*        G   7  -7.525   4.319   4.534
  180   2H5*    G   7          2H5*        G   7  -7.568   6.031   4.989
  181    H4*    G   7           H4*        G   7  -5.795   4.741   6.183
  182    H3*    G   7           H3*        G   7  -4.871   6.927   4.308
  183    H2*    G   7           H2*        G   7  -2.631   6.520   5.198
  184   2HO*    G   7          2HO*        G   7  -2.927   6.114   7.323
  185    H1*    G   7           H1*        G   7  -2.831   3.815   4.979
  186    H8     G   7           H8         G   7  -4.662   5.509   2.039
  187    H1     G   7           H1         G   7   1.630   4.500   1.139
  188   1H2     G   7          1H2         G   7   2.596   4.048   3.170
  189   2H2     G   7          2H2         G   7   1.594   3.935   4.606
  190   1H5*    U   8          1H5*        U   8  -3.632   7.641   8.603
  191   2H5*    U   8          2H5*        U   8  -3.377   9.373   8.906
  192    H4*    U   8           H4*        U   8  -1.365   7.950   9.387
  193    H3*    U   8           H3*        U   8  -1.052   9.948   7.121
  194    H2*    U   8           H2*        U   8   1.309   9.317   7.193
  195   2HO*    U   8          2HO*        U   8   1.197   9.048   9.587
  196    H1*    U   8           H1*        U   8   0.751   6.655   7.247
  197    H3     U   8           H3         U   8   2.241   7.249   3.022
  198    H5     U   8           H5         U   8  -1.602   8.949   2.965
  199    H6     U   8           H6         U   8  -1.710   8.683   5.344
  200   1H5*    G   9          1H5*        G   9   2.260  10.594   9.895
  201   2H5*    G   9          2H5*        G   9   2.551  12.335  10.013
  202    H4*    G   9           H4*        G   9   4.575  11.112   9.430
  203    H3*    G   9           H3*        G   9   3.550  12.923   7.238
  204    H2*    G   9           H2*        G   9   5.691  12.444   6.148
  205   2HO*    G   9          2HO*        G   9   6.722  12.356   8.379
  206    H1*    G   9           H1*        G   9   5.550   9.811   6.506
  207    H8     G   9           H8         G   9   1.985  10.880   6.168
  208    H1     G   9           H1         G   9   5.080  10.396   0.546
  209   1H2     G   9          1H2         G   9   7.923  10.442   2.567
  210   2H2     G   9          2H2         G   9   7.291  10.467   0.919
  211   1H5*    C  10          1H5*        C  10   7.637  13.980   7.580
  212   2H5*    C  10          2H5*        C  10   7.778  15.745   7.532
  213    H4*    C  10           H4*        C  10   9.097  14.702   5.742
  214    H3*    C  10           H3*        C  10   6.677  16.283   4.819
  215    H2*    C  10           H2*        C  10   7.444  15.967   2.595
  216   2HO*    C  10          2HO*        C  10   9.513  15.078   2.160
  217    H1*    C  10           H1*        C  10   8.194  13.308   2.954
  218   1H4     C  10          1H4         C  10   1.665  13.596   1.780
  219   2H4     C  10          2H4         C  10   2.471  13.534   0.216
  220    H5     C  10           H5         C  10   2.941  13.810   3.890
  221    H6     C  10           H6         C  10   5.168  13.849   4.832
  222    H3T    C  10           H3T        C  10   9.384  16.940   4.521
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1   3.047  13.235 -10.191
    2   2H5*    G   1          2H5*        G   1   3.825  11.720 -10.675
    3    H4*    G   1           H4*        G   1   5.495  13.105  -9.651
    4    H3*    G   1           H3*        G   1   4.592  10.911  -7.757
    5    H2*    G   1           H2*        G   1   6.378  11.619  -6.328
    6   2HO*    G   1          2HO*        G   1   7.772  12.076  -8.264
    7    H1*    G   1           H1*        G   1   5.857  14.235  -6.555
    8    H8     G   1           H8         G   1   2.493  12.524  -6.575
    9    H1     G   1           H1         G   1   5.030  13.364  -0.719
   10   1H2     G   1          1H2         G   1   7.997  13.836  -2.506
   11   2H2     G   1          2H2         G   1   7.243  13.700  -0.918
   12    H5T    G   1           H5T        G   1   2.889  10.693  -8.931
   13   1H5*    C   2          1H5*        C   2   8.797  10.501  -7.802
   14   2H5*    C   2          2H5*        C   2   9.212   8.782  -7.731
   15    H4*    C   2           H4*        C   2  10.137  10.076  -5.826
   16    H3*    C   2           H3*        C   2   8.092   7.953  -5.175
   17    H2*    C   2           H2*        C   2   8.583   8.392  -2.855
   18   2HO*    C   2          2HO*        C   2  10.915   8.687  -3.387
   19    H1*    C   2           H1*        C   2   8.651  11.124  -3.108
   20   1H4     C   2          1H4         C   2   2.246   9.506  -2.572
   21   2H4     C   2          2H4         C   2   2.881   9.740  -0.948
   22    H5     C   2           H5         C   2   3.738   9.556  -4.558
   23    H6     C   2           H6         C   2   6.017   9.917  -5.282
   24   1H5*    A   3          1H5*        A   3  11.650   7.134  -2.744
   25   2H5*    A   3          2H5*        A   3  11.829   5.380  -2.557
   26    H4*    A   3           H4*        A   3  11.524   6.614  -0.382
   27    H3*    A   3           H3*        A   3   9.477   4.558  -1.217
   28    H2*    A   3           H2*        A   3   8.382   4.899   0.876
   29   2HO*    A   3          2HO*        A   3   9.950   5.030   2.367
   30    H1*    A   3           H1*        A   3   8.639   7.637   0.884
   31    H8     A   3           H8         A   3   7.692   6.315  -2.603
   32   1H6     A   3          1H6         A   3   1.846   6.468  -0.460
   33   2H6     A   3          2H6         A   3   2.844   6.280  -1.895
   34    H2     A   3           H2         A   3   4.565   7.293   2.935
   35   1H5*    G   4          1H5*        G   4  11.440   3.541   2.885
   36   2H5*    G   4          2H5*        G   4  11.343   1.779   3.071
   37    H4*    G   4           H4*        G   4  10.334   3.031   4.974
   38    H3*    G   4           H3*        G   4   8.379   1.387   3.334
   39    H2*    G   4           H2*        G   4   6.802   1.896   5.074
   40   2HO*    G   4          2HO*        G   4   8.626   1.647   6.699
   41    H1*    G   4           H1*        G   4   7.719   4.519   5.408
   42    H8     G   4           H8         G   4   5.185   4.884   5.291
   43    H1     G   4           H1         G   4   4.737   2.663  -0.722
   44   1H2     G   4          1H2         G   4   8.171   2.050  -0.397
   45   2H2     G   4          2H2         G   4   6.762   1.965  -1.432
   46   1H5*    G   5          1H5*        G   5   7.659   0.109   7.378
   47   2H5*    G   5          2H5*        G   5   7.269  -1.614   7.367
   48    H4*    G   5           H4*        G   5   5.487  -0.097   8.317
   49    H3*    G   5           H3*        G   5   4.823  -1.891   5.976
   50    H2*    G   5           H2*        G   5   2.525  -1.172   6.269
   51   2HO*    G   5          2HO*        G   5   2.885  -1.122   8.679
   52    H1*    G   5           H1*        G   5   3.114   1.456   6.581
   53    H8     G   5           H8         G   5   5.508   0.329   3.893
   54    H1     G   5           H1         G   5  -0.555   1.098   1.846
   55   1H2     G   5          1H2         G   5  -1.311   1.058   5.246
   56   2H2     G   5          2H2         G   5  -1.944   1.133   3.605
   57   1H5*    C   6          1H5*        C   6   1.761  -2.530   9.013
   58   2H5*    C   6          2H5*        C   6   1.316  -4.240   9.054
   59    H4*    C   6           H4*        C   6  -0.593  -2.664   8.581
   60    H3*    C   6           H3*        C   6   0.122  -4.799   6.564
   61    H2*    C   6           H2*        C   6  -1.843  -4.136   5.341
   62   2HO*    C   6          2HO*        C   6  -3.028  -3.809   7.413
   63    H1*    C   6           H1*        C   6  -1.483  -1.431   5.691
   64   1H4     C   6          1H4         C   6   2.439  -2.617   0.557
   65   2H4     C   6          2H4         C   6   0.855  -2.208  -0.082
   66    H5     C   6           H5         C   6   2.838  -2.931   2.969
   67    H6     C   6           H6         C   6   1.811  -2.851   5.148
   68   1H5*    G   7          1H5*        G   7  -4.181  -5.250   7.444
   69   2H5*    G   7          2H5*        G   7  -4.589  -6.972   7.373
   70    H4*    G   7           H4*        G   7  -5.847  -5.579   5.718
   71    H3*    G   7           H3*        G   7  -3.972  -7.691   4.642
   72    H2*    G   7           H2*        G   7  -4.877  -7.165   2.435
   73   2HO*    G   7          2HO*        G   7  -7.004  -6.804   2.764
   74    H1*    G   7           H1*        G   7  -4.696  -4.473   2.778
   75    H8     G   7           H8         G   7  -1.727  -6.292   4.463
   76    H1     G   7           H1         G   7  -0.886  -4.812  -1.743
   77   1H2     G   7          1H2         G   7  -2.924  -4.300  -2.657
   78   2H2     G   7          2H2         G   7  -4.351  -4.255  -1.637
   79   1H5*    U   8          1H5*        U   8  -8.318  -8.411   3.433
   80   2H5*    U   8          2H5*        U   8  -8.566 -10.132   3.065
   81    H4*    U   8           H4*        U   8  -9.126  -8.580   1.166
   82    H3*    U   8           H3*        U   8  -6.845 -10.525   0.692
   83    H2*    U   8           H2*        U   8  -6.913  -9.734  -1.612
   84   2HO*    U   8          2HO*        U   8  -9.312  -9.510  -1.489
   85    H1*    U   8           H1*        U   8  -7.016  -7.114  -0.897
   86    H3     U   8           H3         U   8  -2.790  -7.518  -2.432
   87    H5     U   8           H5         U   8  -2.690  -9.538   1.250
   88    H6     U   8           H6         U   8  -5.070  -9.308   1.394
   89   1H5*    G   9          1H5*        G   9  -9.648 -10.976  -2.666
   90   2H5*    G   9          2H5*        G   9  -9.755 -12.703  -3.033
   91    H4*    G   9           H4*        G   9  -9.202 -11.395  -5.007
   92    H3*    G   9           H3*        G   9  -7.008 -13.244  -4.066
   93    H2*    G   9           H2*        G   9  -5.891 -12.667  -6.162
   94   2HO*    G   9          2HO*        G   9  -8.124 -12.546  -7.204
   95    H1*    G   9           H1*        G   9  -6.277 -10.043  -5.946
   96    H8     G   9           H8         G   9  -5.934 -11.248  -2.418
   97    H1     G   9           H1         G   9  -0.319 -10.495  -5.471
   98   1H2     G   9          1H2         G   9  -2.329 -10.516  -8.322
   99   2H2     G   9          2H2         G   9  -0.683 -10.513  -7.683
  100   1H5*    C  10          1H5*        C  10  -7.248 -14.101  -8.213
  101   2H5*    C  10          2H5*        C  10  -7.252 -15.861  -8.403
  102    H4*    C  10           H4*        C  10  -5.390 -14.912  -9.644
  103    H3*    C  10           H3*        C  10  -4.506 -16.377  -7.130
  104    H2*    C  10           H2*        C  10  -2.284 -16.159  -7.969
  105   2HO*    C  10          2HO*        C  10  -3.112 -16.519 -10.229
  106    H1*    C  10           H1*        C  10  -2.620 -13.526  -8.754
  107   1H4     C  10          1H4         C  10  -1.519 -13.804  -2.184
  108   2H4     C  10          2H4         C  10   0.049 -13.697  -2.978
  109    H5     C  10           H5         C  10  -3.614 -14.032  -3.480
  110    H6     C  10           H6         C  10  -4.536 -14.064  -5.716
  111    H3T    C  10           H3T        C  10  -5.596 -17.678  -8.632
  112   1H5*    G   1          1H5*        G   1  10.691 -12.592  -3.849
  113   2H5*    G   1          2H5*        G   1  10.976 -10.983  -4.530
  114    H4*    G   1           H4*        G   1  10.035 -12.338  -6.264
  115    H3*    G   1           H3*        G   1   7.930 -10.479  -5.111
  116    H2*    G   1           H2*        G   1   6.535 -11.200  -6.923
  117   2HO*    G   1          2HO*        G   1   8.435 -11.312  -8.411
  118    H1*    G   1           H1*        G   1   7.072 -13.801  -6.600
  119    H8     G   1           H8         G   1   7.059 -12.289  -3.127
  120    H1     G   1           H1         G   1   1.215 -13.631  -5.466
  121   1H2     G   1          1H2         G   1   2.908 -13.829  -8.515
  122   2H2     G   1          2H2         G   1   1.350 -13.865  -7.692
  123    H5T    G   1           H5T        G   1   9.173 -10.223  -3.459
  124   1H5*    C   2          1H5*        C   2   7.807  -9.651  -9.248
  125   2H5*    C   2          2H5*        C   2   7.493  -7.926  -9.492
  126    H4*    C   2           H4*        C   2   5.765  -9.339 -10.525
  127    H3*    C   2           H3*        C   2   4.788  -7.703  -8.169
  128    H2*    C   2           H2*        C   2   2.572  -8.410  -8.901
  129   2HO*    C   2          2HO*        C   2   3.160  -8.326 -11.201
  130    H1*    C   2           H1*        C   2   3.280 -11.014  -9.153
  131   1H4     C   2          1H4         C   2   2.631  -9.694  -2.656
  132   2H4     C   2          2H4         C   2   1.024 -10.086  -3.254
  133    H5     C   2           H5         C   2   4.568  -9.479  -4.166
  134    H6     C   2           H6         C   2   5.291  -9.672  -6.462
  135   1H5*    A   3          1H5*        A   3   2.479  -6.797 -11.724
  136   2H5*    A   3          2H5*        A   3   2.012  -5.100 -11.830
  137    H4*    A   3           H4*        A   3   0.076  -6.745 -11.923
  138    H3*    A   3           H3*        A   3   0.151  -4.648  -9.749
  139    H2*    A   3           H2*        A   3  -1.811  -5.562  -8.784
  140   2HO*    A   3          2HO*        A   3  -2.652  -5.894 -11.050
  141    H1*    A   3           H1*        A   3  -1.209  -8.202  -9.112
  142    H8     A   3           H8         A   3   2.037  -6.743  -7.884
  143   1H6     A   3          1H6         A   3  -0.431  -7.446  -2.238
  144   2H6     A   3          2H6         A   3   1.051  -7.151  -3.132
  145    H2     A   3           H2         A   3  -3.750  -7.449  -5.176
  146   1H5*    G   4          1H5*        G   4  -1.445  -0.523 -10.658
  147   2H5*    G   4          2H5*        G   4  -0.892  -1.065  -9.074
  148    H4*    G   4           H4*        G   4  -3.275  -2.065 -10.676
  149    H3*    G   4           H3*        G   4  -2.810  -0.855  -7.932
  150    H2*    G   4           H2*        G   4  -4.803  -1.950  -7.183
  151   2HO*    G   4          2HO*        G   4  -5.725  -1.597  -9.465
  152    H1*    G   4           H1*        G   4  -4.170  -4.356  -8.339
  153    H8     G   4           H8         G   4  -4.651  -3.867  -5.529
  154    H1     G   4           H1         G   4   1.757  -3.828  -4.965
  155   1H2     G   4          1H2         G   4   1.654  -3.535  -8.468
  156   2H2     G   4          2H2         G   4   2.697  -3.774  -7.091
  157   1H5*    G   5          1H5*        G   5  -6.640  -0.336  -7.721
  158   2H5*    G   5          2H5*        G   5  -7.051   1.323  -7.251
  159    H4*    G   5           H4*        G   5  -7.835  -0.368  -5.609
  160    H3*    G   5           H3*        G   5  -5.733   1.595  -4.659
  161    H2*    G   5           H2*        G   5  -6.066   0.652  -2.452
  162   2HO*    G   5          2HO*        G   5  -8.439   0.392  -2.970
  163    H1*    G   5           H1*        G   5  -6.070  -1.934  -3.283
  164    H8     G   5           H8         G   5  -3.410  -0.342  -5.422
  165    H1     G   5           H1         G   5  -1.542  -1.634   0.607
  166   1H2     G   5          1H2         G   5  -4.969  -1.820   1.223
  167   2H2     G   5          2H2         G   5  -3.350  -1.874   1.916
  168   1H5*    C   6          1H5*        C   6  -8.897   1.694  -1.718
  169   2H5*    C   6          2H5*        C   6  -9.148   3.360  -1.177
  170    H4*    C   6           H4*        C   6  -8.572   1.784   0.676
  171    H3*    C   6           H3*        C   6  -6.638   4.042   0.094
  172    H2*    C   6           H2*        C   6  -5.495   3.366   2.102
  173   2HO*    C   6          2HO*        C   6  -7.581   2.911   3.189
  174    H1*    C   6           H1*        C   6  -5.694   0.665   1.606
  175   1H4     C   6          1H4         C   6  -0.452   2.422  -1.977
  176   2H4     C   6          2H4         C   6   0.146   1.920  -0.404
  177    H5     C   6           H5         C   6  -2.854   2.628  -2.467
  178    H6     C   6           H6         C   6  -5.070   2.345  -1.561
  179   1H5*    G   7          1H5*        G   7  -7.767   4.427   4.334
  180   2H5*    G   7          2H5*        G   7  -7.713   6.137   4.801
  181    H4*    G   7           H4*        G   7  -6.106   4.684   6.066
  182    H3*    G   7           H3*        G   7  -4.928   6.869   4.334
  183    H2*    G   7           H2*        G   7  -2.767   6.249   5.286
  184   2HO*    G   7          2HO*        G   7  -3.808   5.774   7.409
  185    H1*    G   7           H1*        G   7  -3.147   3.577   4.936
  186    H8     G   7           H8         G   7  -4.714   5.484   1.969
  187    H1     G   7           H1         G   7   1.644   4.576   1.596
  188   1H2     G   7          1H2         G   7   2.414   4.017   3.674
  189   2H2     G   7          2H2         G   7   1.272   3.645   4.958
  190   1H5*    U   8          1H5*        U   8  -3.282   7.198   8.383
  191   2H5*    U   8          2H5*        U   8  -2.950   8.890   8.781
  192    H4*    U   8           H4*        U   8  -0.947   7.397   8.900
  193    H3*    U   8           H3*        U   8  -0.824   9.615   6.826
  194    H2*    U   8           H2*        U   8   1.506   8.998   6.647
  195   2HO*    U   8          2HO*        U   8   1.719   8.530   8.958
  196    H1*    U   8           H1*        U   8   0.985   6.352   6.475
  197    H3     U   8           H3         U   8   2.147   7.582   2.237
  198    H5     U   8           H5         U   8  -1.800   8.954   2.672
  199    H6     U   8           H6         U   8  -1.719   8.352   4.995
  200   1H5*    G   9          1H5*        G   9   2.514   9.998   9.725
  201   2H5*    G   9          2H5*        G   9   2.848  11.718   9.986
  202    H4*    G   9           H4*        G   9   4.850  10.471   9.325
  203    H3*    G   9           H3*        G   9   3.909  12.523   7.316
  204    H2*    G   9           H2*        G   9   6.024  12.062   6.170
  205   2HO*    G   9          2HO*        G   9   7.045  11.716   8.388
  206    H1*    G   9           H1*        G   9   5.784   9.414   6.280
  207    H8     G   9           H8         G   9   2.261  10.695   6.050
  208    H1     G   9           H1         G   9   5.299  10.254   0.397
  209   1H2     G   9          1H2         G   9   8.161  10.106   2.391
  210   2H2     G   9          2H2         G   9   7.505  10.198   0.754
  211   1H5*    C  10          1H5*        C  10   7.998  13.390   7.646
  212   2H5*    C  10          2H5*        C  10   8.204  15.142   7.795
  213    H4*    C  10           H4*        C  10   9.418  14.350   5.845
  214    H3*    C  10           H3*        C  10   6.894  15.880   5.108
  215    H2*    C  10           H2*        C  10   7.689  15.818   2.859
  216   2HO*    C  10          2HO*        C  10   9.968  16.104   3.669
  217    H1*    C  10           H1*        C  10   8.453  13.164   2.983
  218   1H4     C  10          1H4         C  10   1.862  13.485   2.100
  219   2H4     C  10          2H4         C  10   2.609  13.446   0.507
  220    H5     C  10           H5         C  10   3.215  13.634   4.162
  221    H6     C  10           H6         C  10   5.470  13.605   5.021
  222    H3T    C  10           H3T        C  10   8.426  17.092   6.258
  Start of MODEL   13
    1   1H5*    G   1          1H5*        G   1   3.080  10.440 -10.637
    2   2H5*    G   1          2H5*        G   1   4.007   8.932 -10.690
    3    H4*    G   1           H4*        G   1   5.500  10.669  -9.995
    4    H3*    G   1           H3*        G   1   4.651   8.981  -7.620
    5    H2*    G   1           H2*        G   1   6.312  10.188  -6.377
    6   2HO*    G   1          2HO*        G   1   7.776  10.244  -8.293
    7    H1*    G   1           H1*        G   1   5.583  12.593  -7.287
    8    H8     G   1           H8         G   1   2.398  10.556  -6.993
    9    H1     G   1           H1         G   1   4.374  13.227  -1.482
   10   1H2     G   1          1H2         G   1   7.386  13.626  -3.204
   11   2H2     G   1          2H2         G   1   6.534  13.793  -1.669
   12    H5T    G   1           H5T        G   1   3.054   8.287  -8.785
   13   1H5*    C   2          1H5*        C   2   8.904   8.819  -7.485
   14   2H5*    C   2          2H5*        C   2   9.395   7.226  -6.889
   15    H4*    C   2           H4*        C   2  10.191   9.065  -5.449
   16    H3*    C   2           H3*        C   2   8.142   7.235  -4.172
   17    H2*    C   2           H2*        C   2   8.689   8.418  -2.115
   18   2HO*    C   2          2HO*        C   2  10.984   8.623  -2.715
   19    H1*    C   2           H1*        C   2   8.528  10.879  -3.237
   20   1H4     C   2          1H4         C   2   2.323   8.653  -2.286
   21   2H4     C   2          2H4         C   2   2.818   9.426  -0.787
   22    H5     C   2           H5         C   2   3.875   8.349  -4.175
   23    H6     C   2           H6         C   2   6.116   8.781  -4.955
   24   1H5*    A   3          1H5*        A   3  11.796   7.315  -1.793
   25   2H5*    A   3          2H5*        A   3  12.092   5.801  -0.925
   26    H4*    A   3           H4*        A   3  11.856   7.952   0.464
   27    H3*    A   3           H3*        A   3  10.384   5.428   1.034
   28    H2*    A   3           H2*        A   3   9.042   6.402   2.676
   29   2HO*    A   3          2HO*        A   3  10.802   7.309   3.809
   30    H1*    A   3           H1*        A   3   8.840   8.959   1.637
   31    H8     A   3           H8         A   3   7.940   6.756  -1.247
   32   1H6     A   3          1H6         A   3   2.213   6.934   1.119
   33   2H6     A   3          2H6         A   3   3.179   6.491  -0.277
   34    H2     A   3           H2         A   3   5.062   7.974   4.369
   35   1H5*    G   4          1H5*        G   4  10.788   2.056   2.527
   36   2H5*    G   4          2H5*        G   4  10.143   3.557   1.895
   37    H4*    G   4           H4*        G   4  10.419   3.357   4.881
   38    H3*    G   4           H3*        G   4   8.430   1.735   3.273
   39    H2*    G   4           H2*        G   4   6.860   2.125   5.061
   40   2HO*    G   4          2HO*        G   4   8.772   2.060   6.638
   41    H1*    G   4           H1*        G   4   7.459   4.800   5.273
   42    H8     G   4           H8         G   4   4.853   4.300   4.882
   43    H1     G   4           H1         G   4   5.870   3.527  -1.423
   44   1H2     G   4          1H2         G   4   9.242   3.753  -0.480
   45   2H2     G   4          2H2         G   4   8.144   3.743  -1.832
   46   1H5*    G   5          1H5*        G   5   8.029   0.402   7.348
   47   2H5*    G   5          2H5*        G   5   7.709  -1.336   7.399
   48    H4*    G   5           H4*        G   5   5.949   0.124   8.478
   49    H3*    G   5           H3*        G   5   5.191  -1.740   6.224
   50    H2*    G   5           H2*        G   5   2.889  -1.094   6.624
   51   2HO*    G   5          2HO*        G   5   3.402  -0.963   9.014
   52    H1*    G   5           H1*        G   5   3.386   1.557   6.841
   53    H8     G   5           H8         G   5   5.707   0.431   4.070
   54    H1     G   5           H1         G   5  -0.438   1.121   2.274
   55   1H2     G   5          1H2         G   5  -1.054   1.040   5.710
   56   2H2     G   5          2H2         G   5  -1.753   1.118   4.094
   57   1H5*    C   6          1H5*        C   6   2.286  -2.390   9.394
   58   2H5*    C   6          2H5*        C   6   1.977  -4.126   9.532
   59    H4*    C   6           H4*        C   6  -0.086  -2.790   9.079
   60    H3*    C   6           H3*        C   6   0.812  -4.834   7.047
   61    H2*    C   6           H2*        C   6  -1.170  -4.407   5.829
   62   2HO*    C   6          2HO*        C   6  -2.586  -4.389   7.620
   63    H1*    C   6           H1*        C   6  -1.215  -1.669   6.268
   64   1H4     C   6          1H4         C   6   2.613  -2.551   0.946
   65   2H4     C   6          2H4         C   6   0.993  -2.206   0.364
   66    H5     C   6           H5         C   6   3.119  -2.845   3.335
   67    H6     C   6           H6         C   6   2.178  -2.821   5.555
   68   1H5*    G   7          1H5*        G   7  -3.293  -8.204   6.950
   69   2H5*    G   7          2H5*        G   7  -2.020  -7.623   5.866
   70    H4*    G   7           H4*        G   7  -4.751  -6.332   6.268
   71    H3*    G   7           H3*        G   7  -3.495  -8.077   4.157
   72    H2*    G   7           H2*        G   7  -4.489  -6.780   2.373
   73   2HO*    G   7          2HO*        G   7  -6.470  -6.478   3.749
   74    H1*    G   7           H1*        G   7  -3.825  -4.361   3.393
   75    H8     G   7           H8         G   7  -0.877  -6.282   4.666
   76    H1     G   7           H1         G   7  -0.550  -4.969  -1.622
   77   1H2     G   7          1H2         G   7  -2.650  -4.413  -2.362
   78   2H2     G   7          2H2         G   7  -3.961  -4.260  -1.206
   79   1H5*    U   8          1H5*        U   8  -7.657  -7.793   3.100
   80   2H5*    U   8          2H5*        U   8  -8.271  -9.363   2.551
   81    H4*    U   8           H4*        U   8  -8.513  -7.575   0.843
   82    H3*    U   8           H3*        U   8  -6.577  -9.808   0.137
   83    H2*    U   8           H2*        U   8  -6.623  -8.833  -2.089
   84   2HO*    U   8          2HO*        U   8  -8.953  -8.245  -1.830
   85    H1*    U   8           H1*        U   8  -6.262  -6.308  -1.157
   86    H3     U   8           H3         U   8  -2.309  -7.503  -3.074
   87    H5     U   8           H5         U   8  -2.288  -9.392   0.686
   88    H6     U   8           H6         U   8  -4.580  -8.758   0.977
   89   1H5*    G   9          1H5*        G   9  -9.566  -9.564  -3.057
   90   2H5*    G   9          2H5*        G   9 -10.020 -11.213  -3.514
   91    H4*    G   9           H4*        G   9  -9.339  -9.895  -5.447
   92    H3*    G   9           H3*        G   9  -7.510 -12.193  -4.745
   93    H2*    G   9           H2*        G   9  -6.373 -11.702  -6.847
   94   2HO*    G   9          2HO*        G   9  -8.572 -11.088  -7.778
   95    H1*    G   9           H1*        G   9  -6.223  -9.079  -6.467
   96    H8     G   9           H8         G   9  -6.002 -10.456  -3.008
   97    H1     G   9           H1         G   9  -0.455 -10.688  -6.257
   98   1H2     G   9          1H2         G   9  -2.514 -10.152  -9.026
   99   2H2     G   9          2H2         G   9  -0.877 -10.471  -8.447
  100   1H5*    C  10          1H5*        C  10  -8.108 -12.759  -8.908
  101   2H5*    C  10          2H5*        C  10  -8.399 -14.484  -9.191
  102    H4*    C  10           H4*        C  10  -6.426 -13.704 -10.432
  103    H3*    C  10           H3*        C  10  -5.852 -15.619  -8.149
  104    H2*    C  10           H2*        C  10  -3.596 -15.670  -8.888
  105   2HO*    C  10          2HO*        C  10  -2.970 -14.728 -10.882
  106    H1*    C  10           H1*        C  10  -3.444 -12.941  -9.443
  107   1H4     C  10          1H4         C  10  -2.370 -13.865  -2.961
  108   2H4     C  10          2H4         C  10  -0.812 -13.974  -3.773
  109    H5     C  10           H5         C  10  -4.484 -13.673  -4.229
  110    H6     C  10           H6         C  10  -5.413 -13.399  -6.447
  111    H3T    C  10           H3T        C  10  -5.646 -16.105 -10.900
  112   1H5*    G   1          1H5*        G   1   9.827 -14.888  -4.732
  113   2H5*    G   1          2H5*        G   1  10.463 -13.385  -5.420
  114    H4*    G   1           H4*        G   1   9.208 -14.495  -7.135
  115    H3*    G   1           H3*        G   1   7.624 -12.184  -5.967
  116    H2*    G   1           H2*        G   1   6.055 -12.565  -7.738
  117   2HO*    G   1          2HO*        G   1   7.865 -13.128  -9.254
  118    H1*    G   1           H1*        G   1   5.993 -15.225  -7.429
  119    H8     G   1           H8         G   1   6.344 -13.788  -3.950
  120    H1     G   1           H1         G   1   0.328 -13.872  -6.238
  121   1H2     G   1          1H2         G   1   1.932 -14.284  -9.317
  122   2H2     G   1          2H2         G   1   0.397 -14.062  -8.476
  123    H5T    G   1           H5T        G   1   8.894 -12.235  -4.327
  124   1H5*    C   2          1H5*        C   2   7.562 -11.418 -10.109
  125   2H5*    C   2          2H5*        C   2   7.695  -9.675 -10.384
  126    H4*    C   2           H4*        C   2   5.616 -10.603 -11.333
  127    H3*    C   2           H3*        C   2   5.238  -8.710  -9.005
  128    H2*    C   2           H2*        C   2   2.871  -8.812  -9.551
  129   2HO*    C   2          2HO*        C   2   3.318  -8.877 -11.887
  130    H1*    C   2           H1*        C   2   2.850 -11.530  -9.888
  131   1H4     C   2          1H4         C   2   2.674 -10.463  -3.339
  132   2H4     C   2          2H4         C   2   1.012 -10.472  -3.919
  133    H5     C   2           H5         C   2   4.589 -10.563  -4.902
  134    H6     C   2           H6         C   2   5.205 -10.794  -7.226
  135   1H5*    A   3          1H5*        A   3   3.060  -7.203 -12.487
  136   2H5*    A   3          2H5*        A   3   3.031  -5.430 -12.487
  137    H4*    A   3           H4*        A   3   0.748  -6.496 -12.436
  138    H3*    A   3           H3*        A   3   1.579  -4.765 -10.103
  139    H2*    A   3           H2*        A   3  -0.650  -5.003  -9.259
  140   2HO*    A   3          2HO*        A   3  -1.753  -4.801 -11.229
  141    H1*    A   3           H1*        A   3  -0.792  -7.709  -9.774
  142    H8     A   3           H8         A   3   2.710  -6.863  -8.495
  143   1H6     A   3          1H6         A   3   0.183  -7.708  -2.867
  144   2H6     A   3          2H6         A   3   1.697  -7.462  -3.730
  145    H2     A   3           H2         A   3  -3.104  -7.401  -5.788
  146   1H5*    G   4          1H5*        G   4  -2.061  -0.889 -10.308
  147   2H5*    G   4          2H5*        G   4  -1.232  -1.822  -9.050
  148    H4*    G   4           H4*        G   4  -3.905  -2.563 -10.319
  149    H3*    G   4           H3*        G   4  -3.118  -1.357  -7.648
  150    H2*    G   4           H2*        G   4  -5.020  -2.478  -6.687
  151   2HO*    G   4          2HO*        G   4  -6.214  -2.133  -8.818
  152    H1*    G   4           H1*        G   4  -4.466  -4.871  -7.897
  153    H8     G   4           H8         G   4  -4.670  -4.624  -5.117
  154    H1     G   4           H1         G   4   1.679  -3.611  -4.989
  155   1H2     G   4          1H2         G   4   1.255  -2.871  -8.403
  156   2H2     G   4          2H2         G   4   2.403  -3.052  -7.087
  157   1H5*    G   5          1H5*        G   5  -6.939  -0.935  -7.044
  158   2H5*    G   5          2H5*        G   5  -7.355   0.718  -6.562
  159    H4*    G   5           H4*        G   5  -7.963  -0.993  -4.856
  160    H3*    G   5           H3*        G   5  -5.890   1.075  -4.076
  161    H2*    G   5           H2*        G   5  -6.066   0.169  -1.834
  162   2HO*    G   5          2HO*        G   5  -8.453  -0.191  -2.221
  163    H1*    G   5           H1*        G   5  -6.021  -2.435  -2.626
  164    H8     G   5           H8         G   5  -3.511  -0.901  -4.933
  165    H1     G   5           H1         G   5  -1.348  -1.739   1.080
  166   1H2     G   5          1H2         G   5  -4.733  -2.032   1.853
  167   2H2     G   5          2H2         G   5  -3.085  -1.985   2.476
  168   1H5*    C   6          1H5*        C   6  -8.841   1.147  -0.940
  169   2H5*    C   6          2H5*        C   6  -9.144   2.824  -0.461
  170    H4*    C   6           H4*        C   6  -8.381   1.389   1.428
  171    H3*    C   6           H3*        C   6  -6.566   3.668   0.598
  172    H2*    C   6           H2*        C   6  -5.279   3.154   2.576
  173   2HO*    C   6          2HO*        C   6  -7.310   2.662   3.780
  174    H1*    C   6           H1*        C   6  -5.400   0.424   2.219
  175   1H4     C   6          1H4         C   6  -0.481   2.139  -1.803
  176   2H4     C   6          2H4         C   6   0.221   1.789  -0.230
  177    H5     C   6           H5         C   6  -2.926   2.224  -2.149
  178    H6     C   6           H6         C   6  -5.065   1.922  -1.079
  179   1H5*    G   7          1H5*        G   7  -7.385   4.140   4.884
  180   2H5*    G   7          2H5*        G   7  -7.492   5.870   5.254
  181    H4*    G   7           H4*        G   7  -5.724   4.710   6.565
  182    H3*    G   7           H3*        G   7  -4.789   6.798   4.581
  183    H2*    G   7           H2*        G   7  -2.582   6.522   5.594
  184   2HO*    G   7          2HO*        G   7  -3.198   6.294   7.753
  185    H1*    G   7           H1*        G   7  -2.713   3.795   5.573
  186    H8     G   7           H8         G   7  -4.410   5.268   2.438
  187    H1     G   7           H1         G   7   1.946   4.364   1.942
  188   1H2     G   7          1H2         G   7   2.782   3.991   3.989
  189   2H2     G   7          2H2         G   7   1.738   3.932   5.412
  190   1H5*    U   8          1H5*        U   8  -3.674   7.955   8.802
  191   2H5*    U   8          2H5*        U   8  -3.528   9.722   8.916
  192    H4*    U   8           H4*        U   8  -1.433   8.505   9.547
  193    H3*    U   8           H3*        U   8  -1.244  10.229   7.053
  194    H2*    U   8           H2*        U   8   1.150   9.779   7.193
  195   2HO*    U   8          2HO*        U   8   1.036   9.814   9.605
  196    H1*    U   8           H1*        U   8   0.776   7.110   7.603
  197    H3     U   8           H3         U   8   2.317   7.310   3.356
  198    H5     U   8           H5         U   8  -1.628   8.722   3.040
  199    H6     U   8           H6         U   8  -1.782   8.702   5.437
  200   1H5*    G   9          1H5*        G   9   2.016  11.495   9.670
  201   2H5*    G   9          2H5*        G   9   2.096  13.262   9.596
  202    H4*    G   9           H4*        G   9   4.254  12.266   9.126
  203    H3*    G   9           H3*        G   9   3.003  13.621   6.732
  204    H2*    G   9           H2*        G   9   5.188  13.291   5.680
  205   2HO*    G   9          2HO*        G   9   6.221  13.637   7.884
  206    H1*    G   9           H1*        G   9   5.400  10.733   6.385
  207    H8     G   9           H8         G   9   1.726  11.236   5.970
  208    H1     G   9           H1         G   9   4.887  10.449   0.416
  209   1H2     G   9          1H2         G   9   7.684  11.150   2.379
  210   2H2     G   9          2H2         G   9   7.070  10.851   0.751
  211   1H5*    C  10          1H5*        C  10   6.922  15.233   6.853
  212   2H5*    C  10          2H5*        C  10   6.828  16.979   6.571
  213    H4*    C  10           H4*        C  10   8.275  15.891   4.913
  214    H3*    C  10           H3*        C  10   5.671  17.005   3.828
  215    H2*    C  10           H2*        C  10   6.486  16.508   1.653
  216   2HO*    C  10          2HO*        C  10   8.657  15.852   1.313
  217    H1*    C  10           H1*        C  10   7.582  14.041   2.346
  218   1H4     C  10          1H4         C  10   1.082  13.296   1.215
  219   2H4     C  10          2H4         C  10   1.902  13.127  -0.333
  220    H5     C  10           H5         C  10   2.302  13.958   3.263
  221    H6     C  10           H6         C  10   4.499  14.412   4.169
  222    H3T    C  10           H3T        C  10   8.268  17.971   3.414
  Start of MODEL   14
    1   1H5*    G   1          1H5*        G   1   5.852  11.891  -9.317
    2   2H5*    G   1          2H5*        G   1   6.860  10.440  -9.202
    3    H4*    G   1           H4*        G   1   8.132  12.301  -8.378
    4    H3*    G   1           H3*        G   1   7.154  10.528  -6.118
    5    H2*    G   1           H2*        G   1   8.476  11.911  -4.663
    6   2HO*    G   1          2HO*        G   1  10.170  12.098  -6.420
    7    H1*    G   1           H1*        G   1   7.714  14.239  -5.679
    8    H8     G   1           H8         G   1   4.648  12.098  -5.895
    9    H1     G   1           H1         G   1   5.711  14.439  -0.006
   10   1H2     G   1          1H2         G   1   8.957  14.905  -1.200
   11   2H2     G   1          2H2         G   1   7.886  14.914   0.201
   12    H5T    G   1           H5T        G   1   5.690   9.776  -7.431
   13   1H5*    C   2          1H5*        C   2  11.337  11.037  -5.371
   14   2H5*    C   2          2H5*        C   2  12.029   9.499  -4.826
   15    H4*    C   2           H4*        C   2  12.285  11.309  -3.140
   16    H3*    C   2           H3*        C   2  10.577   8.916  -2.435
   17    H2*    C   2           H2*        C   2  10.323   9.830  -0.215
   18   2HO*    C   2          2HO*        C   2  12.665  10.543  -0.375
   19    H1*    C   2           H1*        C   2  10.011  12.441  -1.019
   20   1H4     C   2          1H4         C   2   3.918  10.102  -1.881
   21   2H4     C   2          2H4         C   2   4.026  10.673  -0.216
   22    H5     C   2           H5         C   2   5.920   9.876  -3.306
   23    H6     C   2           H6         C   2   8.276  10.355  -3.437
   24   1H5*    A   3          1H5*        A   3  13.200   8.761   0.772
   25   2H5*    A   3          2H5*        A   3  13.723   7.085   1.001
   26    H4*    A   3           H4*        A   3  12.456   7.861   2.957
   27    H3*    A   3           H3*        A   3  10.876   5.890   1.257
   28    H2*    A   3           H2*        A   3   9.268   5.913   3.018
   29   2HO*    A   3          2HO*        A   3  11.070   6.006   4.636
   30    H1*    A   3           H1*        A   3   9.485   8.682   3.402
   31    H8     A   3           H8         A   3   9.171   8.112  -0.305
   32   1H6     A   3          1H6         A   3   3.044   7.741   0.859
   33   2H6     A   3          2H6         A   3   4.239   7.967  -0.413
   34    H2     A   3           H2         A   3   5.191   7.115   4.638
   35   1H5*    G   4          1H5*        G   4  11.365   1.890   1.219
   36   2H5*    G   4          2H5*        G   4  10.834   2.572  -0.321
   37    H4*    G   4           H4*        G   4   9.892   3.618   2.388
   38    H3*    G   4           H3*        G   4   8.708   1.642   0.428
   39    H2*    G   4           H2*        G   4   6.591   2.442   0.896
   40   2HO*    G   4          2HO*        G   4   6.846   2.251   3.230
   41    H1*    G   4           H1*        G   4   7.592   5.038   1.738
   42    H8     G   4           H8         G   4   4.872   4.446   0.765
   43    H1     G   4           H1         G   4   7.274   7.155  -4.567
   44   1H2     G   4          1H2         G   4  10.362   6.422  -3.224
   45   2H2     G   4          2H2         G   4   9.414   7.124  -4.529
   46   1H5*    G   5          1H5*        G   5   7.597   1.393   5.007
   47   2H5*    G   5          2H5*        G   5   7.323  -0.323   5.367
   48    H4*    G   5           H4*        G   5   5.672   1.217   6.457
   49    H3*    G   5           H3*        G   5   4.696  -0.876   4.507
   50    H2*    G   5           H2*        G   5   2.439  -0.185   5.029
   51   2HO*    G   5          2HO*        G   5   3.155   0.214   7.338
   52    H1*    G   5           H1*        G   5   2.922   2.461   4.905
   53    H8     G   5           H8         G   5   5.046   1.189   2.082
   54    H1     G   5           H1         G   5  -1.247   1.294   0.754
   55   1H2     G   5          1H2         G   5  -1.572   1.598   4.221
   56   2H2     G   5          2H2         G   5  -2.411   1.423   2.675
   57   1H5*    C   6          1H5*        C   6   2.062  -1.187   7.939
   58   2H5*    C   6          2H5*        C   6   1.786  -2.899   8.286
   59    H4*    C   6           H4*        C   6  -0.312  -1.606   7.858
   60    H3*    C   6           H3*        C   6   0.395  -3.886   6.001
   61    H2*    C   6           H2*        C   6  -1.766  -3.570   4.997
   62   2HO*    C   6          2HO*        C   6  -2.713  -3.129   7.169
   63    H1*    C   6           H1*        C   6  -1.671  -0.820   5.013
   64   1H4     C   6          1H4         C   6   1.675  -2.395  -0.441
   65   2H4     C   6          2H4         C   6  -0.008  -2.212  -0.911
   66    H5     C   6           H5         C   6   2.402  -2.319   1.908
   67    H6     C   6           H6         C   6   1.657  -2.022   4.182
   68   1H5*    G   7          1H5*        G   7  -3.658  -4.792   7.459
   69   2H5*    G   7          2H5*        G   7  -3.814  -6.554   7.577
   70    H4*    G   7           H4*        G   7  -5.420  -5.526   5.968
   71    H3*    G   7           H3*        G   7  -3.352  -7.404   4.807
   72    H2*    G   7           H2*        G   7  -4.591  -7.198   2.694
   73   2HO*    G   7          2HO*        G   7  -6.694  -7.104   3.332
   74    H1*    G   7           H1*        G   7  -4.721  -4.494   2.846
   75    H8     G   7           H8         G   7  -1.365  -5.701   4.337
   76    H1     G   7           H1         G   7  -1.509  -5.223  -2.077
   77   1H2     G   7          1H2         G   7  -3.693  -5.076  -2.745
   78   2H2     G   7          2H2         G   7  -4.957  -4.905  -1.542
   79   1H5*    U   8          1H5*        U   8  -7.553  -8.706   4.012
   80   2H5*    U   8          2H5*        U   8  -7.642 -10.464   3.787
   81    H4*    U   8           H4*        U   8  -8.532  -9.115   1.858
   82    H3*    U   8           H3*        U   8  -6.134 -10.890   1.295
   83    H2*    U   8           H2*        U   8  -6.588 -10.365  -1.045
   84   2HO*    U   8          2HO*        U   8  -8.960 -10.327  -0.626
   85    H1*    U   8           H1*        U   8  -6.834  -7.705  -0.555
   86    H3     U   8           H3         U   8  -2.861  -8.164  -2.716
   87    H5     U   8           H5         U   8  -2.060  -9.430   1.213
   88    H6     U   8           H6         U   8  -4.403  -9.301   1.699
   89   1H5*    G   9          1H5*        G   9  -9.343 -11.905  -1.528
   90   2H5*    G   9          2H5*        G   9  -9.374 -13.663  -1.728
   91    H4*    G   9           H4*        G   9  -9.237 -12.485  -3.868
   92    H3*    G   9           H3*        G   9  -6.844 -14.176  -3.144
   93    H2*    G   9           H2*        G   9  -6.069 -13.732  -5.418
   94   2HO*    G   9          2HO*        G   9  -8.438 -13.773  -6.116
   95    H1*    G   9           H1*        G   9  -6.538 -11.118  -5.356
   96    H8     G   9           H8         G   9  -5.643 -11.907  -1.824
   97    H1     G   9           H1         G   9  -0.560 -11.263  -5.717
   98   1H2     G   9          1H2         G   9  -2.949 -11.635  -8.237
   99   2H2     G   9          2H2         G   9  -1.237 -11.459  -7.845
  100   1H5*    C  10          1H5*        C  10  -7.652 -15.408  -7.106
  101   2H5*    C  10          2H5*        C  10  -7.601 -17.178  -7.151
  102    H4*    C  10           H4*        C  10  -5.963 -16.278  -8.707
  103    H3*    C  10           H3*        C  10  -4.691 -17.482  -6.219
  104    H2*    C  10           H2*        C  10  -2.606 -17.245  -7.347
  105   2HO*    C  10          2HO*        C  10  -3.688 -17.834  -9.447
  106    H1*    C  10           H1*        C  10  -3.171 -14.707  -8.297
  107   1H4     C  10          1H4         C  10  -1.261 -14.304  -1.927
  108   2H4     C  10          2H4         C  10   0.182 -14.166  -2.926
  109    H5     C  10           H5         C  10  -3.477 -14.788  -2.914
  110    H6     C  10           H6         C  10  -4.664 -15.078  -5.000
  111    H3T    C  10           H3T        C  10  -5.892 -18.950  -7.461
  112   1H5*    G   1          1H5*        G   1  10.566 -12.785  -5.221
  113   2H5*    G   1          2H5*        G   1  10.736 -11.272  -6.125
  114    H4*    G   1           H4*        G   1   9.617 -12.847  -7.546
  115    H3*    G   1           H3*        G   1   7.650 -10.837  -6.403
  116    H2*    G   1           H2*        G   1   6.043 -11.785  -7.905
  117   2HO*    G   1          2HO*        G   1   7.768 -12.101  -9.586
  118    H1*    G   1           H1*        G   1   6.664 -14.330  -7.339
  119    H8     G   1           H8         G   1   7.021 -12.429  -4.090
  120    H1     G   1           H1         G   1   0.996 -14.164  -5.551
  121   1H2     G   1          1H2         G   1   2.321 -14.593  -8.758
  122   2H2     G   1          2H2         G   1   0.876 -14.624  -7.748
  123    H5T    G   1           H5T        G   1   9.062 -10.391  -4.944
  124   1H5*    C   2          1H5*        C   2   6.948 -10.634 -10.548
  125   2H5*    C   2          2H5*        C   2   6.628  -8.955 -11.005
  126    H4*    C   2           H4*        C   2   4.742 -10.439 -11.568
  127    H3*    C   2           H3*        C   2   4.180  -8.405  -9.403
  128    H2*    C   2           H2*        C   2   1.863  -9.103  -9.612
  129   2HO*    C   2          2HO*        C   2   2.031  -9.348 -11.963
  130    H1*    C   2           H1*        C   2   2.453 -11.779  -9.691
  131   1H4     C   2          1H4         C   2   2.709  -9.976  -3.306
  132   2H4     C   2          2H4         C   2   1.045 -10.425  -3.660
  133    H5     C   2           H5         C   2   4.421  -9.845  -5.086
  134    H6     C   2           H6         C   2   4.830 -10.218  -7.437
  135   1H5*    A   3          1H5*        A   3   1.354  -7.864 -12.716
  136   2H5*    A   3          2H5*        A   3   0.896  -6.158 -12.873
  137    H4*    A   3           H4*        A   3  -1.041  -7.715 -12.435
  138    H3*    A   3           H3*        A   3  -0.430  -5.567 -10.394
  139    H2*    A   3           H2*        A   3  -2.478  -6.232  -9.294
  140   2HO*    A   3          2HO*        A   3  -3.752  -6.588 -11.134
  141    H1*    A   3           H1*        A   3  -1.955  -8.918  -9.496
  142    H8     A   3           H8         A   3   1.334  -7.130  -8.750
  143   1H6     A   3          1H6         A   3  -0.356  -7.858  -2.797
  144   2H6     A   3          2H6         A   3   0.966  -7.382  -3.858
  145    H2     A   3           H2         A   3  -3.890  -8.645  -5.312
  146   1H5*    G   4          1H5*        G   4  -4.638  -5.073 -11.852
  147   2H5*    G   4          2H5*        G   4  -5.060  -3.352 -11.787
  148    H4*    G   4           H4*        G   4  -6.592  -4.791 -10.452
  149    H3*    G   4           H3*        G   4  -4.909  -2.878  -8.793
  150    H2*    G   4           H2*        G   4  -6.393  -3.507  -7.000
  151   2HO*    G   4          2HO*        G   4  -8.232  -3.550  -8.630
  152    H1*    G   4           H1*        G   4  -6.470  -6.195  -7.799
  153    H8     G   4           H8         G   4  -6.096  -6.180  -5.215
  154    H1     G   4           H1         G   4  -0.153  -3.806  -5.793
  155   1H2     G   4          1H2         G   4  -1.006  -3.374  -9.165
  156   2H2     G   4          2H2         G   4   0.233  -3.217  -7.938
  157   1H5*    G   5          1H5*        G   5  -8.866  -2.057  -7.542
  158   2H5*    G   5          2H5*        G   5  -9.055  -0.320  -7.274
  159    H4*    G   5           H4*        G   5  -9.538  -1.737  -5.266
  160    H3*    G   5           H3*        G   5  -7.277   0.268  -5.071
  161    H2*    G   5           H2*        G   5  -7.253  -0.270  -2.699
  162   2HO*    G   5          2HO*        G   5  -9.678  -0.515  -2.769
  163    H1*    G   5           H1*        G   5  -7.420  -2.963  -3.084
  164    H8     G   5           H8         G   5  -5.124  -1.859  -5.846
  165    H1     G   5           H1         G   5  -2.333  -1.835  -0.036
  166   1H2     G   5          1H2         G   5  -5.615  -2.019   1.121
  167   2H2     G   5          2H2         G   5  -3.913  -1.884   1.555
  168   1H5*    C   6          1H5*        C   6  -9.862   1.032  -1.708
  169   2H5*    C   6          2H5*        C   6 -10.044   2.780  -1.491
  170    H4*    C   6           H4*        C   6  -9.168   1.642   0.541
  171    H3*    C   6           H3*        C   6  -7.349   3.625  -0.834
  172    H2*    C   6           H2*        C   6  -5.838   3.377   0.993
  173   2HO*    C   6          2HO*        C   6  -7.453   3.387   2.629
  174    H1*    C   6           H1*        C   6  -6.169   0.633   1.218
  175   1H4     C   6          1H4         C   6  -1.622   1.495  -3.511
  176   2H4     C   6          2H4         C   6  -0.782   1.418  -1.963
  177    H5     C   6           H5         C   6  -4.099   1.576  -3.630
  178    H6     C   6           H6         C   6  -6.120   1.501  -2.319
  179   1H5*    G   7          1H5*        G   7  -6.661   7.218   2.946
  180   2H5*    G   7          2H5*        G   7  -5.643   6.461   1.697
  181    H4*    G   7           H4*        G   7  -6.029   5.135   4.400
  182    H3*    G   7           H3*        G   7  -4.062   7.316   3.646
  183    H2*    G   7           H2*        G   7  -2.514   6.262   5.155
  184   2HO*    G   7          2HO*        G   7  -4.460   5.823   6.621
  185    H1*    G   7           H1*        G   7  -3.266   3.659   4.433
  186    H8     G   7           H8         G   7  -2.868   5.043   1.092
  187    H1     G   7           H1         G   7   2.819   4.657   4.074
  188   1H2     G   7          1H2         G   7   2.464   4.307   6.312
  189   2H2     G   7          2H2         G   7   0.826   4.134   6.918
  190   1H5*    U   8          1H5*        U   8  -3.833   7.359   7.840
  191   2H5*    U   8          2H5*        U   8  -3.757   9.030   8.433
  192    H4*    U   8           H4*        U   8  -1.739   7.777   9.055
  193    H3*    U   8           H3*        U   8  -1.245   9.895   6.932
  194    H2*    U   8           H2*        U   8   1.105   9.442   7.346
  195   2HO*    U   8          2HO*        U   8   0.708   9.072   9.680
  196    H1*    U   8           H1*        U   8   0.782   6.758   7.219
  197    H3     U   8           H3         U   8   2.808   7.801   3.285
  198    H5     U   8           H5         U   8  -1.196   8.938   2.714
  199    H6     U   8           H6         U   8  -1.606   8.517   5.037
  200   1H5*    G   9          1H5*        G   9   1.450  10.692  10.325
  201   2H5*    G   9          2H5*        G   9   1.636  12.445  10.493
  202    H4*    G   9           H4*        G   9   3.785  11.294  10.272
  203    H3*    G   9           H3*        G   9   3.102  13.117   7.961
  204    H2*    G   9           H2*        G   9   5.413  12.724   7.252
  205   2HO*    G   9          2HO*        G   9   6.036  12.608   9.636
  206    H1*    G   9           H1*        G   9   5.288  10.072   7.540
  207    H8     G   9           H8         G   9   1.817  11.123   6.589
  208    H1     G   9           H1         G   9   5.920  10.998   1.646
  209   1H2     G   9          1H2         G   9   8.318  11.004   4.186
  210   2H2     G   9          2H2         G   9   8.013  11.159   2.454
  211   1H5*    C  10          1H5*        C  10   7.059  14.220   8.808
  212   2H5*    C  10          2H5*        C  10   7.112  15.981   8.970
  213    H4*    C  10           H4*        C  10   8.714  15.305   7.293
  214    H3*    C  10           H3*        C  10   6.248  16.608   6.080
  215    H2*    C  10           H2*        C  10   7.449  16.643   4.031
  216   2HO*    C  10          2HO*        C  10   9.502  17.132   5.248
  217    H1*    C  10           H1*        C  10   8.419  14.069   4.301
  218   1H4     C  10          1H4         C  10   2.088  13.886   2.234
  219   2H4     C  10          2H4         C  10   3.096  14.061   0.800
  220    H5     C  10           H5         C  10   3.052  13.973   4.509
  221    H6     C  10           H6         C  10   5.115  14.067   5.753
  222    H3T    C  10           H3T        C  10   7.411  17.944   7.492
  Start of MODEL   15
    1   1H5*    G   1          1H5*        G   1   3.960  13.771 -10.480
    2   2H5*    G   1          2H5*        G   1   4.443  12.078 -10.694
    3    H4*    G   1           H4*        G   1   6.141  13.439  -9.484
    4    H3*    G   1           H3*        G   1   4.864  11.192  -7.892
    5    H2*    G   1           H2*        G   1   6.591  11.676  -6.250
    6   2HO*    G   1          2HO*        G   1   8.176  12.135  -7.998
    7    H1*    G   1           H1*        G   1   6.283  14.345  -6.390
    8    H8     G   1           H8         G   1   2.808  12.788  -6.581
    9    H1     G   1           H1         G   1   5.157  13.537  -0.636
   10   1H2     G   1          1H2         G   1   8.200  13.930  -2.313
   11   2H2     G   1          2H2         G   1   7.384  13.832  -0.754
   12    H5T    G   1           H5T        G   1   2.671  13.110  -8.731
   13   1H5*    C   2          1H5*        C   2   9.197  10.606  -7.643
   14   2H5*    C   2          2H5*        C   2   9.505   8.866  -7.583
   15    H4*    C   2           H4*        C   2  10.416  10.082  -5.619
   16    H3*    C   2           H3*        C   2   8.229   8.074  -5.066
   17    H2*    C   2           H2*        C   2   8.755   8.425  -2.717
   18   2HO*    C   2          2HO*        C   2  11.071   8.592  -3.136
   19    H1*    C   2           H1*        C   2   8.919  11.153  -2.940
   20   1H4     C   2          1H4         C   2   2.446   9.759  -2.582
   21   2H4     C   2          2H4         C   2   3.036   9.977  -0.937
   22    H5     C   2           H5         C   2   3.989   9.733  -4.516
   23    H6     C   2           H6         C   2   6.293  10.008  -5.183
   24   1H5*    A   3          1H5*        A   3  11.850   6.987  -2.773
   25   2H5*    A   3          2H5*        A   3  11.927   5.225  -2.583
   26    H4*    A   3           H4*        A   3  11.838   6.507  -0.407
   27    H3*    A   3           H3*        A   3   9.633   4.551  -1.069
   28    H2*    A   3           H2*        A   3   8.729   4.971   1.112
   29   2HO*    A   3          2HO*        A   3  10.503   5.033   2.400
   30    H1*    A   3           H1*        A   3   9.096   7.692   1.020
   31    H8     A   3           H8         A   3   7.846   6.421  -2.376
   32   1H6     A   3          1H6         A   3   2.200   7.226   0.154
   33   2H6     A   3          2H6         A   3   3.048   6.860  -1.346
   34    H2     A   3           H2         A   3   5.177   7.465   3.386
   35   1H5*    G   4          1H5*        G   4  11.587   3.441   2.918
   36   2H5*    G   4          2H5*        G   4  11.417   1.686   3.107
   37    H4*    G   4           H4*        G   4  10.432   2.993   4.989
   38    H3*    G   4           H3*        G   4   8.435   1.409   3.338
   39    H2*    G   4           H2*        G   4   6.882   1.956   5.093
   40   2HO*    G   4          2HO*        G   4   8.709   1.671   6.709
   41    H1*    G   4           H1*        G   4   7.863   4.557   5.398
   42    H8     G   4           H8         G   4   5.295   4.838   5.328
   43    H1     G   4           H1         G   4   4.909   2.963  -0.805
   44   1H2     G   4          1H2         G   4   8.318   2.234  -0.455
   45   2H2     G   4          2H2         G   4   6.929   2.255  -1.519
   46   1H5*    G   5          1H5*        G   5   7.647   0.177   7.351
   47   2H5*    G   5          2H5*        G   5   7.215  -1.536   7.356
   48    H4*    G   5           H4*        G   5   5.464   0.033   8.275
   49    H3*    G   5           H3*        G   5   4.780  -1.769   5.946
   50    H2*    G   5           H2*        G   5   2.494  -1.005   6.222
   51   2HO*    G   5          2HO*        G   5   2.850  -0.944   8.634
   52    H1*    G   5           H1*        G   5   3.134   1.616   6.521
   53    H8     G   5           H8         G   5   5.520   0.506   3.840
   54    H1     G   5           H1         G   5  -0.559   1.142   1.787
   55   1H2     G   5          1H2         G   5  -1.304   1.142   5.192
   56   2H2     G   5          2H2         G   5  -1.946   1.175   3.551
   57   1H5*    C   6          1H5*        C   6   1.704  -2.341   8.966
   58   2H5*    C   6          2H5*        C   6   1.266  -4.052   9.046
   59    H4*    C   6           H4*        C   6  -0.655  -2.510   8.542
   60    H3*    C   6           H3*        C   6   0.092  -4.658   6.550
   61    H2*    C   6           H2*        C   6  -1.878  -4.035   5.316
   62   2HO*    C   6          2HO*        C   6  -3.067  -3.697   7.387
   63    H1*    C   6           H1*        C   6  -1.550  -1.322   5.634
   64   1H4     C   6          1H4         C   6   2.395  -2.523   0.522
   65   2H4     C   6          2H4         C   6   0.799  -2.172  -0.124
   66    H5     C   6           H5         C   6   2.800  -2.777   2.943
   67    H6     C   6           H6         C   6   1.769  -2.682   5.119
   68   1H5*    G   7          1H5*        G   7  -4.197  -5.159   7.412
   69   2H5*    G   7          2H5*        G   7  -4.577  -6.889   7.379
   70    H4*    G   7           H4*        G   7  -5.857  -5.560   5.695
   71    H3*    G   7           H3*        G   7  -3.935  -7.651   4.660
   72    H2*    G   7           H2*        G   7  -4.862  -7.194   2.446
   73   2HO*    G   7          2HO*        G   7  -6.992  -6.867   2.766
   74    H1*    G   7           H1*        G   7  -4.735  -4.493   2.733
   75    H8     G   7           H8         G   7  -1.716  -6.183   4.454
   76    H1     G   7           H1         G   7  -0.942  -4.861  -1.798
   77   1H2     G   7          1H2         G   7  -2.998  -4.430  -2.716
   78   2H2     G   7          2H2         G   7  -4.421  -4.406  -1.691
   79   1H5*    U   8          1H5*        U   8  -8.270  -8.494   3.505
   80   2H5*    U   8          2H5*        U   8  -8.487 -10.226   3.171
   81    H4*    U   8           H4*        U   8  -9.100  -8.719   1.251
   82    H3*    U   8           H3*        U   8  -6.787 -10.627   0.782
   83    H2*    U   8           H2*        U   8  -6.903  -9.879  -1.534
   84   2HO*    U   8          2HO*        U   8  -9.303  -9.699  -1.385
   85    H1*    U   8           H1*        U   8  -7.045  -7.250  -0.862
   86    H3     U   8           H3         U   8  -2.836  -7.609  -2.453
   87    H5     U   8           H5         U   8  -2.645  -9.548   1.270
   88    H6     U   8           H6         U   8  -5.027  -9.359   1.444
   89   1H5*    G   9          1H5*        G   9  -9.635 -11.192  -2.520
   90   2H5*    G   9          2H5*        G   9  -9.711 -12.926  -2.860
   91    H4*    G   9           H4*        G   9  -9.219 -11.632  -4.862
   92    H3*    G   9           H3*        G   9  -6.975 -13.428  -3.935
   93    H2*    G   9           H2*        G   9  -5.906 -12.859  -6.057
   94   2HO*    G   9          2HO*        G   9  -8.158 -12.792  -7.062
   95    H1*    G   9           H1*        G   9  -6.335 -10.240  -5.868
   96    H8     G   9           H8         G   9  -5.909 -11.389  -2.330
   97    H1     G   9           H1         G   9  -0.363 -10.587  -5.495
   98   1H2     G   9          1H2         G   9  -2.424 -10.675  -8.307
   99   2H2     G   9          2H2         G   9  -0.768 -10.636  -7.700
  100   1H5*    C  10          1H5*        C  10  -7.277 -14.342  -8.068
  101   2H5*    C  10          2H5*        C  10  -7.253 -16.104  -8.236
  102    H4*    C  10           H4*        C  10  -5.435 -15.139  -9.528
  103    H3*    C  10           H3*        C  10  -4.473 -16.556  -7.014
  104    H2*    C  10           H2*        C  10  -2.274 -16.311  -7.901
  105   2HO*    C  10          2HO*        C  10  -3.141 -16.714 -10.139
  106    H1*    C  10           H1*        C  10  -2.672 -13.693  -8.712
  107   1H4     C  10          1H4         C  10  -1.432 -13.873  -2.162
  108   2H4     C  10          2H4         C  10   0.117 -13.750  -2.990
  109    H5     C  10           H5         C  10  -3.549 -14.151  -3.413
  110    H6     C  10           H6         C  10  -4.516 -14.226  -5.629
  111    H3T    C  10           H3T        C  10  -5.571 -17.895  -8.476
  112   1H5*    G   1          1H5*        G   1  10.718 -12.477  -4.084
  113   2H5*    G   1          2H5*        G   1  10.960 -10.869  -4.785
  114    H4*    G   1           H4*        G   1  10.009 -12.257  -6.488
  115    H3*    G   1           H3*        G   1   7.894 -10.426  -5.310
  116    H2*    G   1           H2*        G   1   6.476 -11.187  -7.087
  117   2HO*    G   1          2HO*        G   1   8.349 -11.280  -8.611
  118    H1*    G   1           H1*        G   1   7.067 -13.776  -6.751
  119    H8     G   1           H8         G   1   7.097 -12.231  -3.292
  120    H1     G   1           H1         G   1   1.231 -13.694  -5.500
  121   1H2     G   1          1H2         G   1   2.866 -13.894  -8.580
  122   2H2     G   1          2H2         G   1   1.325 -13.949  -7.726
  123    H5T    G   1           H5T        G   1   9.166 -10.131  -3.686
  124   1H5*    C   2          1H5*        C   2   7.671  -9.641  -9.449
  125   2H5*    C   2          2H5*        C   2   7.323  -7.924  -9.703
  126    H4*    C   2           H4*        C   2   5.599  -9.376 -10.687
  127    H3*    C   2           H3*        C   2   4.641  -7.734  -8.327
  128    H2*    C   2           H2*        C   2   2.423  -8.485  -9.008
  129   2HO*    C   2          2HO*        C   2   2.961  -8.412 -11.319
  130    H1*    C   2           H1*        C   2   3.171 -11.079  -9.251
  131   1H4     C   2          1H4         C   2   2.626  -9.707  -2.755
  132   2H4     C   2          2H4         C   2   1.014 -10.131  -3.317
  133    H5     C   2           H5         C   2   4.530  -9.476  -4.304
  134    H6     C   2           H6         C   2   5.211  -9.680  -6.612
  135   1H5*    A   3          1H5*        A   3   2.254  -6.901 -11.847
  136   2H5*    A   3          2H5*        A   3   1.757  -5.213 -11.961
  137    H4*    A   3           H4*        A   3  -0.154  -6.890 -12.004
  138    H3*    A   3           H3*        A   3  -0.073  -4.770  -9.851
  139    H2*    A   3           H2*        A   3  -2.003  -5.704  -8.844
  140   2HO*    A   3          2HO*        A   3  -2.877  -6.072 -11.091
  141    H1*    A   3           H1*        A   3  -1.365  -8.339  -9.158
  142    H8     A   3           H8         A   3   1.877  -6.815  -7.999
  143   1H6     A   3          1H6         A   3  -0.480  -7.514  -2.305
  144   2H6     A   3          2H6         A   3   0.981  -7.203  -3.227
  145    H2     A   3           H2         A   3  -3.848  -7.600  -5.184
  146   1H5*    G   4          1H5*        G   4  -1.727  -0.675 -10.762
  147   2H5*    G   4          2H5*        G   4  -1.142  -1.203  -9.185
  148    H4*    G   4           H4*        G   4  -3.547  -2.225 -10.738
  149    H3*    G   4           H3*        G   4  -3.036  -1.015  -8.001
  150    H2*    G   4           H2*        G   4  -5.014  -2.117  -7.222
  151   2HO*    G   4          2HO*        G   4  -5.976  -1.767  -9.486
  152    H1*    G   4           H1*        G   4  -4.386  -4.519  -8.387
  153    H8     G   4           H8         G   4  -4.822  -4.048  -5.573
  154    H1     G   4           H1         G   4   1.592  -3.882  -5.102
  155   1H2     G   4          1H2         G   4   1.432  -3.611  -8.605
  156   2H2     G   4          2H2         G   4   2.499  -3.823  -7.241
  157   1H5*    G   5          1H5*        G   5  -6.857  -0.504  -7.717
  158   2H5*    G   5          2H5*        G   5  -7.264   1.152  -7.232
  159    H4*    G   5           H4*        G   5  -8.009  -0.554  -5.585
  160    H3*    G   5           H3*        G   5  -5.907   1.420  -4.661
  161    H2*    G   5           H2*        G   5  -6.201   0.465  -2.452
  162   2HO*    G   5          2HO*        G   5  -8.580   0.187  -2.944
  163    H1*    G   5           H1*        G   5  -6.195  -2.117  -3.297
  164    H8     G   5           H8         G   5  -3.574  -0.522  -5.471
  165    H1     G   5           H1         G   5  -1.636  -1.687   0.562
  166   1H2     G   5          1H2         G   5  -5.056  -1.912   1.208
  167   2H2     G   5          2H2         G   5  -3.431  -1.920   1.890
  168   1H5*    C   6          1H5*        C   6  -8.989   1.480  -1.648
  169   2H5*    C   6          2H5*        C   6  -9.257   3.144  -1.111
  170    H4*    C   6           H4*        C   6  -8.613   1.587   0.737
  171    H3*    C   6           H3*        C   6  -6.746   3.886   0.102
  172    H2*    C   6           H2*        C   6  -5.531   3.246   2.078
  173   2HO*    C   6          2HO*        C   6  -7.609   2.747   3.198
  174    H1*    C   6           H1*        C   6  -5.695   0.535   1.613
  175   1H4     C   6          1H4         C   6  -0.554   2.283  -2.102
  176   2H4     C   6          2H4         C   6   0.080   1.833  -0.527
  177    H5     C   6           H5         C   6  -2.969   2.446  -2.550
  178    H6     C   6           H6         C   6  -5.163   2.162  -1.593
  179   1H5*    G   7          1H5*        G   7  -7.668   4.274   4.363
  180   2H5*    G   7          2H5*        G   7  -7.680   5.994   4.793
  181    H4*    G   7           H4*        G   7  -5.938   4.692   6.012
  182    H3*    G   7           H3*        G   7  -4.924   6.803   4.095
  183    H2*    G   7           H2*        G   7  -2.700   6.330   5.030
  184   2HO*    G   7          2HO*        G   7  -3.114   5.949   7.164
  185    H1*    G   7           H1*        G   7  -2.998   3.644   4.785
  186    H8     G   7           H8         G   7  -4.803   5.388   1.851
  187    H1     G   7           H1         G   7   1.534   4.581   1.089
  188   1H2     G   7          1H2         G   7   2.456   4.090   3.118
  189   2H2     G   7          2H2         G   7   1.414   3.799   4.498
  190   1H5*    U   8          1H5*        U   8  -3.546   7.424   8.278
  191   2H5*    U   8          2H5*        U   8  -3.214   9.135   8.605
  192    H4*    U   8           H4*        U   8  -1.263   7.607   9.017
  193    H3*    U   8           H3*        U   8  -0.900   9.682   6.828
  194    H2*    U   8           H2*        U   8   1.448   9.004   6.921
  195   2HO*    U   8          2HO*        U   8   1.298   8.642   9.301
  196    H1*    U   8           H1*        U   8   0.827   6.358   6.855
  197    H3     U   8           H3         U   8   2.502   7.267   2.724
  198    H5     U   8           H5         U   8  -1.413   8.795   2.622
  199    H6     U   8           H6         U   8  -1.602   8.380   4.975
  200   1H5*    G   9          1H5*        G   9   2.323  10.122   9.738
  201   2H5*    G   9          2H5*        G   9   2.653  11.843   9.981
  202    H4*    G   9           H4*        G   9   4.668  10.585   9.396
  203    H3*    G   9           H3*        G   9   3.778  12.616   7.344
  204    H2*    G   9           H2*        G   9   5.924  12.156   6.256
  205   2HO*    G   9          2HO*        G   9   6.881  11.832   8.509
  206    H1*    G   9           H1*        G   9   5.700   9.510   6.384
  207    H8     G   9           H8         G   9   2.162  10.630   6.059
  208    H1     G   9           H1         G   9   5.355  10.471   0.475
  209   1H2     G   9          1H2         G   9   8.167  10.360   2.541
  210   2H2     G   9          2H2         G   9   7.556  10.444   0.888
  211   1H5*    C  10          1H5*        C  10   7.840  13.520   7.804
  212   2H5*    C  10          2H5*        C  10   8.026  15.273   7.975
  213    H4*    C  10           H4*        C  10   9.309  14.511   6.058
  214    H3*    C  10           H3*        C  10   6.793  16.023   5.259
  215    H2*    C  10           H2*        C  10   7.645  15.985   3.036
  216   2HO*    C  10          2HO*        C  10   9.900  16.291   3.909
  217    H1*    C  10           H1*        C  10   8.440  13.340   3.157
  218   1H4     C  10          1H4         C  10   1.873  13.606   2.084
  219   2H4     C  10          2H4         C  10   2.669  13.613   0.514
  220    H5     C  10           H5         C  10   3.167  13.716   4.190
  221    H6     C  10           H6         C  10   5.397  13.704   5.113
  222    H3T    C  10           H3T        C  10   8.279  17.241   6.461
  Start of MODEL   16
    1   1H5*    G   1          1H5*        G   1   4.062  13.937 -10.466
    2   2H5*    G   1          2H5*        G   1   4.537  12.244 -10.695
    3    H4*    G   1           H4*        G   1   6.230  13.581  -9.451
    4    H3*    G   1           H3*        G   1   4.923  11.325  -7.897
    5    H2*    G   1           H2*        G   1   6.635  11.781  -6.232
    6   2HO*    G   1          2HO*        G   1   8.242  12.249  -7.957
    7    H1*    G   1           H1*        G   1   6.346  14.454  -6.347
    8    H8     G   1           H8         G   1   2.862  12.924  -6.586
    9    H1     G   1           H1         G   1   5.172  13.563  -0.613
   10   1H2     G   1          1H2         G   1   8.229  13.960  -2.264
   11   2H2     G   1          2H2         G   1   7.402  13.837  -0.711
   12    H5T    G   1           H5T        G   1   2.751  13.263  -8.738
   13   1H5*    C   2          1H5*        C   2   9.255  10.715  -7.619
   14   2H5*    C   2          2H5*        C   2   9.554   8.973  -7.574
   15    H4*    C   2           H4*        C   2  10.461  10.166  -5.594
   16    H3*    C   2           H3*        C   2   8.263   8.160  -5.073
   17    H2*    C   2           H2*        C   2   8.779   8.484  -2.718
   18   2HO*    C   2          2HO*        C   2  11.100   8.650  -3.133
   19    H1*    C   2           H1*        C   2   8.954  11.213  -2.911
   20   1H4     C   2          1H4         C   2   2.477   9.830  -2.596
   21   2H4     C   2          2H4         C   2   3.060  10.025  -0.947
   22    H5     C   2           H5         C   2   4.028   9.828  -4.525
   23    H6     C   2           H6         C   2   6.335  10.106  -5.178
   24   1H5*    A   3          1H5*        A   3  11.862   7.035  -2.768
   25   2H5*    A   3          2H5*        A   3  11.932   5.272  -2.596
   26    H4*    A   3           H4*        A   3  11.832   6.533  -0.407
   27    H3*    A   3           H3*        A   3   9.630   4.586  -1.105
   28    H2*    A   3           H2*        A   3   8.710   4.986   1.072
   29   2HO*    A   3          2HO*        A   3  10.453   5.038   2.390
   30    H1*    A   3           H1*        A   3   9.084   7.708   1.013
   31    H8     A   3           H8         A   3   7.849   6.488  -2.405
   32   1H6     A   3          1H6         A   3   2.192   7.252   0.115
   33   2H6     A   3          2H6         A   3   3.045   6.913  -1.388
   34    H2     A   3           H2         A   3   5.156   7.440   3.362
   35   1H5*    G   4          1H5*        G   4  11.575   3.450   2.886
   36   2H5*    G   4          2H5*        G   4  11.402   1.695   3.066
   37    H4*    G   4           H4*        G   4  10.423   2.995   4.955
   38    H3*    G   4           H3*        G   4   8.421   1.417   3.305
   39    H2*    G   4           H2*        G   4   6.875   1.958   5.068
   40   2HO*    G   4          2HO*        G   4   8.707   1.670   6.677
   41    H1*    G   4           H1*        G   4   7.854   4.559   5.376
   42    H8     G   4           H8         G   4   5.284   4.831   5.315
   43    H1     G   4           H1         G   4   4.890   2.988  -0.828
   44   1H2     G   4          1H2         G   4   8.300   2.260  -0.487
   45   2H2     G   4          2H2         G   4   6.909   2.285  -1.548
   46   1H5*    G   5          1H5*        G   5   7.643   0.177   7.316
   47   2H5*    G   5          2H5*        G   5   7.209  -1.535   7.319
   48    H4*    G   5           H4*        G   5   5.463   0.035   8.245
   49    H3*    G   5           H3*        G   5   4.771  -1.767   5.919
   50    H2*    G   5           H2*        G   5   2.486  -1.002   6.200
   51   2HO*    G   5          2HO*        G   5   2.848  -0.940   8.611
   52    H1*    G   5           H1*        G   5   3.128   1.619   6.497
   53    H8     G   5           H8         G   5   5.508   0.516   3.811
   54    H1     G   5           H1         G   5  -0.575   1.143   1.770
   55   1H2     G   5          1H2         G   5  -1.315   1.134   5.176
   56   2H2     G   5          2H2         G   5  -1.960   1.168   3.536
   57   1H5*    C   6          1H5*        C   6   1.704  -2.335   8.950
   58   2H5*    C   6          2H5*        C   6   1.267  -4.047   9.034
   59    H4*    C   6           H4*        C   6  -0.657  -2.507   8.534
   60    H3*    C   6           H3*        C   6   0.087  -4.658   6.544
   61    H2*    C   6           H2*        C   6  -1.886  -4.039   5.312
   62   2HO*    C   6          2HO*        C   6  -3.071  -3.700   7.386
   63    H1*    C   6           H1*        C   6  -1.561  -1.325   5.626
   64   1H4     C   6          1H4         C   6   2.377  -2.517   0.507
   65   2H4     C   6          2H4         C   6   0.778  -2.170  -0.136
   66    H5     C   6           H5         C   6   2.786  -2.773   2.927
   67    H6     C   6           H6         C   6   1.759  -2.681   5.104
   68   1H5*    G   7          1H5*        G   7  -4.199  -5.165   7.418
   69   2H5*    G   7          2H5*        G   7  -4.575  -6.897   7.390
   70    H4*    G   7           H4*        G   7  -5.862  -5.573   5.705
   71    H3*    G   7           H3*        G   7  -3.936  -7.661   4.670
   72    H2*    G   7           H2*        G   7  -4.866  -7.210   2.457
   73   2HO*    G   7          2HO*        G   7  -6.997  -6.887   2.779
   74    H1*    G   7           H1*        G   7  -4.746  -4.508   2.740
   75    H8     G   7           H8         G   7  -1.721  -6.191   4.459
   76    H1     G   7           H1         G   7  -0.956  -4.870  -1.793
   77   1H2     G   7          1H2         G   7  -3.013  -4.444  -2.710
   78   2H2     G   7          2H2         G   7  -4.436  -4.423  -1.684
   79   1H5*    U   8          1H5*        U   8  -8.271  -8.515   3.520
   80   2H5*    U   8          2H5*        U   8  -8.484 -10.248   3.188
   81    H4*    U   8           H4*        U   8  -9.102  -8.745   1.267
   82    H3*    U   8           H3*        U   8  -6.785 -10.649   0.799
   83    H2*    U   8           H2*        U   8  -6.904  -9.904  -1.518
   84   2HO*    U   8          2HO*        U   8  -9.305  -9.729  -1.366
   85    H1*    U   8           H1*        U   8  -7.051  -7.275  -0.850
   86    H3     U   8           H3         U   8  -2.843  -7.625  -2.441
   87    H5     U   8           H5         U   8  -2.645  -9.560   1.283
   88    H6     U   8           H6         U   8  -5.027  -9.377   1.458
   89   1H5*    G   9          1H5*        G   9  -9.634 -11.223  -2.500
   90   2H5*    G   9          2H5*        G   9  -9.706 -12.957  -2.841
   91    H4*    G   9           H4*        G   9  -9.218 -11.660  -4.842
   92    H3*    G   9           H3*        G   9  -6.970 -13.453  -3.917
   93    H2*    G   9           H2*        G   9  -5.903 -12.880  -6.040
   94   2HO*    G   9          2HO*        G   9  -8.155 -12.816  -7.044
   95    H1*    G   9           H1*        G   9  -6.338 -10.261  -5.848
   96    H8     G   9           H8         G   9  -5.907 -11.413  -2.313
   97    H1     G   9           H1         G   9  -0.364 -10.594  -5.478
   98   1H2     G   9          1H2         G   9  -2.426 -10.686  -8.290
   99   2H2     G   9          2H2         G   9  -0.769 -10.644  -7.683
  100   1H5*    C  10          1H5*        C  10  -7.271 -14.365  -8.051
  101   2H5*    C  10          2H5*        C  10  -7.244 -16.127  -8.220
  102    H4*    C  10           H4*        C  10  -5.427 -15.157  -9.510
  103    H3*    C  10           H3*        C  10  -4.463 -16.573  -6.997
  104    H2*    C  10           H2*        C  10  -2.264 -16.322  -7.884
  105   2HO*    C  10          2HO*        C  10  -3.130 -16.726 -10.123
  106    H1*    C  10           H1*        C  10  -2.668 -13.705  -8.693
  107   1H4     C  10          1H4         C  10  -1.429 -13.885  -2.144
  108   2H4     C  10          2H4         C  10   0.120 -13.758  -2.971
  109    H5     C  10           H5         C  10  -3.545 -14.168  -3.395
  110    H6     C  10           H6         C  10  -4.511 -14.244  -5.610
  111    H3T    C  10           H3T        C  10  -5.557 -17.914  -8.461
  112   1H5*    G   1          1H5*        G   1  10.721 -12.474  -4.067
  113   2H5*    G   1          2H5*        G   1  10.960 -10.865  -4.768
  114    H4*    G   1           H4*        G   1  10.011 -12.255  -6.470
  115    H3*    G   1           H3*        G   1   7.895 -10.425  -5.292
  116    H2*    G   1           H2*        G   1   6.476 -11.188  -7.068
  117   2HO*    G   1          2HO*        G   1   8.349 -11.279  -8.593
  118    H1*    G   1           H1*        G   1   7.070 -13.776  -6.733
  119    H8     G   1           H8         G   1   7.098 -12.231  -3.274
  120    H1     G   1           H1         G   1   1.234 -13.699  -5.482
  121   1H2     G   1          1H2         G   1   2.870 -13.899  -8.562
  122   2H2     G   1          2H2         G   1   1.328 -13.954  -7.708
  123    H5T    G   1           H5T        G   1   9.166 -10.129  -3.668
  124   1H5*    C   2          1H5*        C   2   7.670  -9.642  -9.432
  125   2H5*    C   2          2H5*        C   2   7.319  -7.926  -9.687
  126    H4*    C   2           H4*        C   2   5.597  -9.381 -10.670
  127    H3*    C   2           H3*        C   2   4.638  -7.737  -8.311
  128    H2*    C   2           H2*        C   2   2.421  -8.491  -8.991
  129   2HO*    C   2          2HO*        C   2   2.957  -8.420 -11.303
  130    H1*    C   2           H1*        C   2   3.170 -11.085  -9.233
  131   1H4     C   2          1H4         C   2   2.624  -9.710  -2.738
  132   2H4     C   2          2H4         C   2   1.012 -10.136  -3.300
  133    H5     C   2           H5         C   2   4.527  -9.478  -4.287
  134    H6     C   2           H6         C   2   5.209  -9.682  -6.595
  135   1H5*    A   3          1H5*        A   3   2.251  -6.910 -11.833
  136   2H5*    A   3          2H5*        A   3   1.752  -5.222 -11.949
  137    H4*    A   3           H4*        A   3  -0.157  -6.902 -11.992
  138    H3*    A   3           H3*        A   3  -0.080  -4.780  -9.841
  139    H2*    A   3           H2*        A   3  -2.009  -5.716  -8.833
  140   2HO*    A   3          2HO*        A   3  -2.882  -6.086 -11.081
  141    H1*    A   3           H1*        A   3  -1.367  -8.350  -9.145
  142    H8     A   3           H8         A   3   1.871  -6.819  -7.986
  143   1H6     A   3          1H6         A   3  -0.486  -7.521  -2.292
  144   2H6     A   3          2H6         A   3   0.975  -7.208  -3.215
  145    H2     A   3           H2         A   3  -3.853  -7.614  -5.172
  146   1H5*    G   4          1H5*        G   4  -1.746  -0.688 -10.759
  147   2H5*    G   4          2H5*        G   4  -1.161  -1.212  -9.180
  148    H4*    G   4           H4*        G   4  -3.561  -2.244 -10.735
  149    H3*    G   4           H3*        G   4  -3.058  -1.027  -8.000
  150    H2*    G   4           H2*        G   4  -5.032  -2.135  -7.220
  151   2HO*    G   4          2HO*        G   4  -5.993  -1.793  -9.486
  152    H1*    G   4           H1*        G   4  -4.395  -4.537  -8.381
  153    H8     G   4           H8         G   4  -4.835  -4.063  -5.568
  154    H1     G   4           H1         G   4   1.578  -3.885  -5.094
  155   1H2     G   4          1H2         G   4   1.420  -3.616  -8.597
  156   2H2     G   4          2H2         G   4   2.487  -3.826  -7.233
  157   1H5*    G   5          1H5*        G   5  -6.884  -0.529  -7.721
  158   2H5*    G   5          2H5*        G   5  -7.295   1.127  -7.238
  159    H4*    G   5           H4*        G   5  -8.037  -0.578  -5.589
  160    H3*    G   5           H3*        G   5  -5.937   1.400  -4.667
  161    H2*    G   5           H2*        G   5  -6.228   0.447  -2.457
  162   2HO*    G   5          2HO*        G   5  -8.607   0.163  -2.948
  163    H1*    G   5           H1*        G   5  -6.216  -2.136  -3.301
  164    H8     G   5           H8         G   5  -3.603  -0.533  -5.479
  165    H1     G   5           H1         G   5  -1.654  -1.692   0.552
  166   1H2     G   5          1H2         G   5  -5.072  -1.929   1.202
  167   2H2     G   5          2H2         G   5  -3.446  -1.931   1.882
  168   1H5*    C   6          1H5*        C   6  -9.013   1.457  -1.650
  169   2H5*    C   6          2H5*        C   6  -9.283   3.121  -1.114
  170    H4*    C   6           H4*        C   6  -8.633   1.566   0.734
  171    H3*    C   6           H3*        C   6  -6.769   3.866   0.094
  172    H2*    C   6           H2*        C   6  -5.552   3.229   2.070
  173   2HO*    C   6          2HO*        C   6  -7.628   2.728   3.192
  174    H1*    C   6           H1*        C   6  -5.711   0.518   1.605
  175   1H4     C   6          1H4         C   6  -0.582   2.286  -2.118
  176   2H4     C   6          2H4         C   6   0.057   1.838  -0.544
  177    H5     C   6           H5         C   6  -2.997   2.440  -2.563
  178    H6     C   6           H6         C   6  -5.189   2.146  -1.602
  179   1H5*    G   7          1H5*        G   7  -7.686   4.256   4.355
  180   2H5*    G   7          2H5*        G   7  -7.698   5.977   4.784
  181    H4*    G   7           H4*        G   7  -5.955   4.674   6.002
  182    H3*    G   7           H3*        G   7  -4.941   6.786   4.085
  183    H2*    G   7           H2*        G   7  -2.717   6.312   5.022
  184   2HO*    G   7          2HO*        G   7  -3.165   5.935   7.160
  185    H1*    G   7           H1*        G   7  -3.015   3.627   4.773
  186    H8     G   7           H8         G   7  -4.823   5.366   1.840
  187    H1     G   7           H1         G   7   1.518   4.590   1.082
  188   1H2     G   7          1H2         G   7   2.441   4.098   3.110
  189   2H2     G   7          2H2         G   7   1.398   3.800   4.488
  190   1H5*    U   8          1H5*        U   8  -3.554   7.406   8.262
  191   2H5*    U   8          2H5*        U   8  -3.224   9.118   8.588
  192    H4*    U   8           H4*        U   8  -1.270   7.590   8.994
  193    H3*    U   8           H3*        U   8  -0.915   9.669   6.808
  194    H2*    U   8           H2*        U   8   1.433   8.996   6.896
  195   2HO*    U   8          2HO*        U   8   1.298   8.633   9.273
  196    H1*    U   8           H1*        U   8   0.819   6.349   6.828
  197    H3     U   8           H3         U   8   2.495   7.282   2.700
  198    H5     U   8           H5         U   8  -1.428   8.790   2.601
  199    H6     U   8           H6         U   8  -1.618   8.362   4.952
  200   1H5*    G   9          1H5*        G   9   2.301  10.113   9.736
  201   2H5*    G   9          2H5*        G   9   2.640  11.834   9.969
  202    H4*    G   9           H4*        G   9   4.648  10.557   9.396
  203    H3*    G   9           H3*        G   9   3.782  12.587   7.332
  204    H2*    G   9           H2*        G   9   5.931  12.106   6.260
  205   2HO*    G   9          2HO*        G   9   6.883  11.790   8.508
  206    H1*    G   9           H1*        G   9   5.682   9.464   6.390
  207    H8     G   9           H8         G   9   2.157  10.624   6.049
  208    H1     G   9           H1         G   9   5.376  10.481   0.481
  209   1H2     G   9          1H2         G   9   8.175  10.296   2.558
  210   2H2     G   9          2H2         G   9   7.574  10.422   0.904
  211   1H5*    C  10          1H5*        C  10   7.865  13.479   7.872
  212   2H5*    C  10          2H5*        C  10   8.066  15.237   7.976
  213    H4*    C  10           H4*        C  10   9.367  14.312   6.110
  214    H3*    C  10           H3*        C  10   6.997  16.028   5.308
  215    H2*    C  10           H2*        C  10   7.750  15.858   3.064
  216   2HO*    C  10          2HO*        C  10   9.794  14.947   2.556
  217    H1*    C  10           H1*        C  10   8.425  13.160   3.216
  218   1H4     C  10          1H4         C  10   1.908  13.666   2.088
  219   2H4     C  10          2H4         C  10   2.711  13.665   0.522
  220    H5     C  10           H5         C  10   3.187  13.742   4.204
  221    H6     C  10           H6         C  10   5.414  13.668   5.142
  222    H3T    C  10           H3T        C  10   9.722  16.624   5.053
  Start of MODEL   17
    1   1H5*    G   1          1H5*        G   1   5.310  13.930 -10.332
    2   2H5*    G   1          2H5*        G   1   6.130  12.417 -10.748
    3    H4*    G   1           H4*        G   1   7.670  13.738  -9.480
    4    H3*    G   1           H3*        G   1   6.473  11.550  -7.750
    5    H2*    G   1           H2*        G   1   8.085  12.198  -6.095
    6   2HO*    G   1          2HO*        G   1   9.730  12.637  -7.810
    7    H1*    G   1           H1*        G   1   7.637  14.823  -6.347
    8    H8     G   1           H8         G   1   4.288  13.120  -6.855
    9    H1     G   1           H1         G   1   5.911  14.119  -0.706
   10   1H2     G   1          1H2         G   1   9.112  14.572  -2.033
   11   2H2     G   1          2H2         G   1   8.121  14.493  -0.577
   12    H5T    G   1           H5T        G   1   4.963  11.363  -9.167
   13   1H5*    C   2          1H5*        C   2  10.648  10.971  -7.311
   14   2H5*    C   2          2H5*        C   2  10.974   9.234  -7.195
   15    H4*    C   2           H4*        C   2  11.731  10.468  -5.195
   16    H3*    C   2           H3*        C   2   9.454   8.525  -4.756
   17    H2*    C   2           H2*        C   2   9.766   8.954  -2.387
   18   2HO*    C   2          2HO*        C   2  12.120   9.065  -2.605
   19    H1*    C   2           H1*        C   2   9.999  11.665  -2.682
   20   1H4     C   2          1H4         C   2   3.519  10.210  -2.936
   21   2H4     C   2          2H4         C   2   3.928  10.472  -1.245
   22    H5     C   2           H5         C   2   5.241  10.180  -4.703
   23    H6     C   2           H6         C   2   7.593  10.483  -5.147
   24   1H5*    A   3          1H5*        A   3  12.804   7.436  -2.071
   25   2H5*    A   3          2H5*        A   3  12.807   5.682  -1.809
   26    H4*    A   3           H4*        A   3  12.546   7.059   0.297
   27    H3*    A   3           H3*        A   3  10.363   5.128  -0.496
   28    H2*    A   3           H2*        A   3   9.277   5.647   1.589
   29   2HO*    A   3          2HO*        A   3  11.415   5.787   2.692
   30    H1*    A   3           H1*        A   3   9.665   8.356   1.382
   31    H8     A   3           H8         A   3   8.795   7.000  -2.091
   32   1H6     A   3          1H6         A   3   2.901   7.693  -0.188
   33   2H6     A   3          2H6         A   3   3.922   7.349  -1.580
   34    H2     A   3           H2         A   3   5.518   7.968   3.354
   35   1H5*    G   4          1H5*        G   4  11.147   4.128   3.633
   36   2H5*    G   4          2H5*        G   4  11.052   2.368   3.815
   37    H4*    G   4           H4*        G   4   9.408   3.592   5.237
   38    H3*    G   4           H3*        G   4   8.232   1.857   3.051
   39    H2*    G   4           H2*        G   4   6.120   2.283   4.042
   40   2HO*    G   4          2HO*        G   4   6.626   1.992   6.210
   41    H1*    G   4           H1*        G   4   6.771   4.934   4.772
   42    H8     G   4           H8         G   4   4.324   4.921   3.924
   43    H1     G   4           H1         G   4   6.141   3.750  -2.128
   44   1H2     G   4          1H2         G   4   9.288   3.155  -0.710
   45   2H2     G   4          2H2         G   4   8.346   3.262  -2.182
   46   1H5*    G   5          1H5*        G   5   7.082   0.648   7.411
   47   2H5*    G   5          2H5*        G   5   6.769  -1.096   7.405
   48    H4*    G   5           H4*        G   5   4.962   0.353   8.458
   49    H3*    G   5           H3*        G   5   4.289  -1.512   6.174
   50    H2*    G   5           H2*        G   5   1.969  -0.923   6.564
   51   2HO*    G   5          2HO*        G   5   2.443  -0.799   8.956
   52    H1*    G   5           H1*        G   5   2.424   1.740   6.791
   53    H8     G   5           H8         G   5   4.757   0.567   4.040
   54    H1     G   5           H1         G   5  -1.399   1.054   2.215
   55   1H2     G   5          1H2         G   5  -2.013   1.188   5.641
   56   2H2     G   5          2H2         G   5  -2.715   1.068   4.030
   57   1H5*    C   6          1H5*        C   6   1.358  -2.272   9.281
   58   2H5*    C   6          2H5*        C   6   1.051  -4.010   9.372
   59    H4*    C   6           H4*        C   6  -0.995  -2.632   8.929
   60    H3*    C   6           H3*        C   6  -0.137  -4.686   6.882
   61    H2*    C   6           H2*        C   6  -2.196  -4.216   5.735
   62   2HO*    C   6          2HO*        C   6  -3.330  -4.023   7.856
   63    H1*    C   6           H1*        C   6  -2.092  -1.487   6.094
   64   1H4     C   6          1H4         C   6   1.697  -2.501   0.789
   65   2H4     C   6          2H4         C   6   0.062  -2.227   0.207
   66    H5     C   6           H5         C   6   2.223  -2.692   3.188
   67    H6     C   6           H6         C   6   1.290  -2.625   5.410
   68   1H5*    G   7          1H5*        G   7  -4.297  -5.696   7.831
   69   2H5*    G   7          2H5*        G   7  -4.475  -7.457   7.731
   70    H4*    G   7           H4*        G   7  -5.903  -6.226   6.096
   71    H3*    G   7           H3*        G   7  -3.739  -7.995   4.941
   72    H2*    G   7           H2*        G   7  -4.763  -7.533   2.752
   73   2HO*    G   7          2HO*        G   7  -6.890  -7.402   3.025
   74    H1*    G   7           H1*        G   7  -4.876  -4.864   3.196
   75    H8     G   7           H8         G   7  -1.700  -6.265   4.884
   76    H1     G   7           H1         G   7  -1.181  -5.108  -1.425
   77   1H2     G   7          1H2         G   7  -3.267  -4.834  -2.290
   78   2H2     G   7          2H2         G   7  -4.656  -4.800  -1.222
   79   1H5*    U   8          1H5*        U   8  -7.873  -9.086   3.673
   80   2H5*    U   8          2H5*        U   8  -8.000 -10.800   3.231
   81    H4*    U   8           H4*        U   8  -8.714  -9.199   1.425
   82    H3*    U   8           H3*        U   8  -6.333 -10.977   0.807
   83    H2*    U   8           H2*        U   8  -6.603 -10.151  -1.475
   84   2HO*    U   8          2HO*        U   8  -8.996 -10.074  -1.216
   85    H1*    U   8           H1*        U   8  -6.803  -7.564  -0.672
   86    H3     U   8           H3         U   8  -2.697  -7.889  -2.588
   87    H5     U   8           H5         U   8  -2.223  -9.663   1.196
   88    H6     U   8           H6         U   8  -4.591  -9.522   1.523
   89   1H5*    G   9          1H5*        G   9  -9.361 -11.511  -2.330
   90   2H5*    G   9          2H5*        G   9  -9.432 -13.227  -2.753
   91    H4*    G   9           H4*        G   9  -9.107 -11.799  -4.713
   92    H3*    G   9           H3*        G   9  -6.826 -13.662  -4.050
   93    H2*    G   9           H2*        G   9  -5.874 -12.970  -6.190
   94   2HO*    G   9          2HO*        G   9  -8.186 -12.829  -7.048
   95    H1*    G   9           H1*        G   9  -6.265 -10.367  -5.830
   96    H8     G   9           H8         G   9  -5.655 -11.622  -2.373
   97    H1     G   9           H1         G   9  -0.283 -10.693  -5.790
   98   1H2     G   9          1H2         G   9  -2.487 -10.672  -8.499
   99   2H2     G   9          2H2         G   9  -0.805 -10.609  -7.968
  100   1H5*    C  10          1H5*        C  10  -7.378 -14.363  -8.178
  101   2H5*    C  10          2H5*        C  10  -7.380 -16.115  -8.442
  102    H4*    C  10           H4*        C  10  -5.600 -15.101  -9.752
  103    H3*    C  10           H3*        C  10  -4.560 -16.647  -7.348
  104    H2*    C  10           H2*        C  10  -2.387 -16.357  -8.283
  105   2HO*    C  10          2HO*        C  10  -3.323 -16.644 -10.513
  106    H1*    C  10           H1*        C  10  -2.802 -13.703  -8.950
  107   1H4     C  10          1H4         C  10  -1.373 -14.142  -2.459
  108   2H4     C  10          2H4         C  10   0.146 -13.939  -3.326
  109    H5     C  10           H5         C  10  -3.519 -14.423  -3.655
  110    H6     C  10           H6         C  10  -4.552 -14.416  -5.840
  111    H3T    C  10           H3T        C  10  -5.706 -17.904  -8.846
  112   1H5*    G   1          1H5*        G   1  10.718 -12.753  -4.685
  113   2H5*    G   1          2H5*        G   1  11.008 -11.154  -5.388
  114    H4*    G   1           H4*        G   1   9.946 -12.502  -7.063
  115    H3*    G   1           H3*        G   1   7.968 -10.559  -5.830
  116    H2*    G   1           H2*        G   1   6.448 -11.255  -7.545
  117   2HO*    G   1          2HO*        G   1   8.281 -11.444  -9.126
  118    H1*    G   1           H1*        G   1   6.938 -13.872  -7.246
  119    H8     G   1           H8         G   1   7.111 -12.383  -3.775
  120    H1     G   1           H1         G   1   1.158 -13.660  -5.866
  121   1H2     G   1          1H2         G   1   2.711 -13.770  -8.996
  122   2H2     G   1          2H2         G   1   1.192 -13.853  -8.105
  123    H5T    G   1           H5T        G   1   9.281 -10.344  -4.233
  124   1H5*    C   2          1H5*        C   2   7.587  -9.838  -9.957
  125   2H5*    C   2          2H5*        C   2   7.361  -8.103 -10.228
  126    H4*    C   2           H4*        C   2   5.471  -9.427 -11.099
  127    H3*    C   2           H3*        C   2   4.820  -7.639  -8.749
  128    H2*    C   2           H2*        C   2   2.503  -8.206  -9.202
  129   2HO*    C   2          2HO*        C   2   2.836  -8.178 -11.548
  130    H1*    C   2           H1*        C   2   3.002 -10.877  -9.563
  131   1H4     C   2          1H4         C   2   2.840  -9.846  -3.006
  132   2H4     C   2          2H4         C   2   1.192 -10.176  -3.529
  133    H5     C   2           H5         C   2   4.685  -9.587  -4.631
  134    H6     C   2           H6         C   2   5.258  -9.702  -6.976
  135   1H5*    A   3          1H5*        A   3   2.264  -6.583 -12.161
  136   2H5*    A   3          2H5*        A   3   1.880  -4.852 -12.134
  137    H4*    A   3           H4*        A   3  -0.138  -6.363 -12.026
  138    H3*    A   3           H3*        A   3   0.397  -4.509  -9.696
  139    H2*    A   3           H2*        A   3  -1.747  -5.215  -8.829
  140   2HO*    A   3          2HO*        A   3  -2.927  -5.298 -10.740
  141    H1*    A   3           H1*        A   3  -1.303  -7.876  -9.327
  142    H8     A   3           H8         A   3   1.981  -6.330  -8.143
  143   1H6     A   3          1H6         A   3  -0.176  -7.666  -2.453
  144   2H6     A   3          2H6         A   3   1.237  -7.124  -3.352
  145    H2     A   3           H2         A   3  -3.533  -8.016  -5.285
  146   1H5*    G   4          1H5*        G   4  -3.673  -3.661 -11.399
  147   2H5*    G   4          2H5*        G   4  -4.058  -1.952 -11.127
  148    H4*    G   4           H4*        G   4  -5.722  -3.522 -10.134
  149    H3*    G   4           H3*        G   4  -4.167  -1.886  -8.097
  150    H2*    G   4           H2*        G   4  -5.811  -2.714  -6.542
  151   2HO*    G   4          2HO*        G   4  -7.503  -2.506  -8.310
  152    H1*    G   4           H1*        G   4  -5.837  -5.272  -7.686
  153    H8     G   4           H8         G   4  -5.703  -5.554  -5.088
  154    H1     G   4           H1         G   4   0.302  -3.278  -4.862
  155   1H2     G   4          1H2         G   4  -0.236  -2.447  -8.223
  156   2H2     G   4          2H2         G   4   0.888  -2.458  -6.882
  157   1H5*    G   5          1H5*        G   5  -8.210  -1.169  -7.080
  158   2H5*    G   5          2H5*        G   5  -8.411   0.503  -6.545
  159    H4*    G   5           H4*        G   5  -9.057  -1.249  -4.858
  160    H3*    G   5           H3*        G   5  -6.880   0.719  -4.119
  161    H2*    G   5           H2*        G   5  -7.062  -0.218  -1.878
  162   2HO*    G   5          2HO*        G   5  -9.459  -0.499  -2.218
  163    H1*    G   5           H1*        G   5  -7.085  -2.801  -2.720
  164    H8     G   5           H8         G   5  -4.609  -1.255  -5.068
  165    H1     G   5           H1         G   5  -2.326  -1.934   0.922
  166   1H2     G   5          1H2         G   5  -5.677  -2.427   1.739
  167   2H2     G   5          2H2         G   5  -4.030  -2.257   2.343
  168   1H5*    C   6          1H5*        C   6  -9.884   0.796  -1.021
  169   2H5*    C   6          2H5*        C   6 -10.144   2.442  -0.433
  170    H4*    C   6           H4*        C   6  -9.492   0.805   1.349
  171    H3*    C   6           H3*        C   6  -7.649   3.127   0.831
  172    H2*    C   6           H2*        C   6  -6.463   2.490   2.798
  173   2HO*    C   6          2HO*        C   6  -8.279   1.956   4.055
  174    H1*    C   6           H1*        C   6  -6.418  -0.156   2.160
  175   1H4     C   6          1H4         C   6  -1.591   1.934  -1.727
  176   2H4     C   6          2H4         C   6  -0.870   1.573  -0.167
  177    H5     C   6           H5         C   6  -4.028   1.918  -2.081
  178    H6     C   6           H6         C   6  -6.151   1.501  -1.033
  179   1H5*    G   7          1H5*        G   7  -7.219   6.893   3.249
  180   2H5*    G   7          2H5*        G   7  -6.146   6.520   1.902
  181    H4*    G   7           H4*        G   7  -6.238   5.057   4.580
  182    H3*    G   7           H3*        G   7  -4.360   7.012   3.247
  183    H2*    G   7           H2*        G   7  -2.519   5.976   4.437
  184   2HO*    G   7          2HO*        G   7  -4.113   5.611   6.308
  185    H1*    G   7           H1*        G   7  -3.309   3.423   3.874
  186    H8     G   7           H8         G   7  -4.437   4.839   0.706
  187    H1     G   7           H1         G   7   1.985   4.570   1.043
  188   1H2     G   7          1H2         G   7   2.567   4.023   3.120
  189   2H2     G   7          2H2         G   7   1.367   3.819   4.401
  190   1H5*    U   8          1H5*        U   8  -3.417   7.143   7.344
  191   2H5*    U   8          2H5*        U   8  -3.139   8.802   7.908
  192    H4*    U   8           H4*        U   8  -1.175   7.346   8.277
  193    H3*    U   8           H3*        U   8  -0.769   9.512   6.182
  194    H2*    U   8           H2*        U   8   1.571   8.900   6.338
  195   2HO*    U   8          2HO*        U   8   1.353   8.464   8.705
  196    H1*    U   8           H1*        U   8   1.040   6.237   6.179
  197    H3     U   8           H3         U   8   2.898   7.460   2.196
  198    H5     U   8           H5         U   8  -1.103   8.730   1.935
  199    H6     U   8           H6         U   8  -1.390   8.175   4.254
  200   1H5*    G   9          1H5*        G   9   2.262   9.978   9.295
  201   2H5*    G   9          2H5*        G   9   2.453  11.703   9.649
  202    H4*    G   9           H4*        G   9   4.590  10.623   9.170
  203    H3*    G   9           H3*        G   9   3.710  12.679   7.137
  204    H2*    G   9           H2*        G   9   5.957  12.425   6.203
  205   2HO*    G   9          2HO*        G   9   6.767  12.058   8.507
  206    H1*    G   9           H1*        G   9   5.916   9.767   6.197
  207    H8     G   9           H8         G   9   2.333  10.576   5.650
  208    H1     G   9           H1         G   9   5.969  11.061   0.357
  209   1H2     G   9          1H2         G   9   8.595  11.007   2.661
  210   2H2     G   9          2H2         G   9   8.136  11.123   0.962
  211   1H5*    C  10          1H5*        C  10   7.682  13.807   7.969
  212   2H5*    C  10          2H5*        C  10   7.731  15.555   8.243
  213    H4*    C  10           H4*        C  10   9.242  14.979   6.431
  214    H3*    C  10           H3*        C  10   6.726  16.384   5.460
  215    H2*    C  10           H2*        C  10   7.805  16.539   3.342
  216   2HO*    C  10          2HO*        C  10   9.931  16.923   4.468
  217    H1*    C  10           H1*        C  10   8.755  13.942   3.402
  218   1H4     C  10          1H4         C  10   2.332  13.905   1.639
  219   2H4     C  10          2H4         C  10   3.286  14.059   0.168
  220    H5     C  10           H5         C  10   3.392  13.932   3.875
  221    H6     C  10           H6         C  10   5.512  13.984   5.030
  222    H3T    C  10           H3T        C  10   7.995  17.612   6.880
  Start of MODEL   18
    1   1H5*    G   1          1H5*        G   1   3.760  14.822  -9.659
    2   2H5*    G   1          2H5*        G   1   4.537  13.367 -10.302
    3    H4*    G   1           H4*        G   1   6.187  14.583  -9.059
    4    H3*    G   1           H3*        G   1   5.182  12.198  -7.471
    5    H2*    G   1           H2*        G   1   6.932  12.693  -5.911
    6   2HO*    G   1          2HO*        G   1   8.395  13.356  -7.736
    7    H1*    G   1           H1*        G   1   6.452  15.325  -5.837
    8    H8     G   1           H8         G   1   3.069  13.683  -6.185
    9    H1     G   1           H1         G   1   5.399  13.773  -0.185
   10   1H2     G   1          1H2         G   1   8.433  14.406  -1.803
   11   2H2     G   1          2H2         G   1   7.622  14.091  -0.268
   12    H5T    G   1           H5T        G   1   3.529  12.148  -8.729
   13   1H5*    C   2          1H5*        C   2   9.367  11.711  -7.399
   14   2H5*    C   2          2H5*        C   2   9.744   9.988  -7.548
   15    H4*    C   2           H4*        C   2  10.643  10.951  -5.466
   16    H3*    C   2           H3*        C   2   8.447   8.907  -5.119
   17    H2*    C   2           H2*        C   2   8.975   9.001  -2.746
   18   2HO*    C   2          2HO*        C   2  11.296   9.214  -3.150
   19    H1*    C   2           H1*        C   2   9.127  11.729  -2.665
   20   1H4     C   2          1H4         C   2   2.663  10.235  -2.584
   21   2H4     C   2          2H4         C   2   3.234  10.240  -0.917
   22    H5     C   2           H5         C   2   4.234  10.489  -4.482
   23    H6     C   2           H6         C   2   6.545  10.888  -5.065
   24   1H5*    A   3          1H5*        A   3  12.060   7.608  -3.005
   25   2H5*    A   3          2H5*        A   3  12.179   5.839  -3.013
   26    H4*    A   3           H4*        A   3  12.093   6.857  -0.707
   27    H3*    A   3           H3*        A   3   9.902   4.964  -1.566
   28    H2*    A   3           H2*        A   3   9.041   5.078   0.660
   29   2HO*    A   3          2HO*        A   3  11.010   4.989   1.772
   30    H1*    A   3           H1*        A   3   9.357   7.811   0.892
   31    H8     A   3           H8         A   3   8.097   6.960  -2.616
   32   1H6     A   3          1H6         A   3   2.460   7.430  -0.014
   33   2H6     A   3          2H6         A   3   3.322   7.280  -1.542
   34    H2     A   3           H2         A   3   5.430   7.221   3.237
   35   1H5*    G   4          1H5*        G   4  10.533   1.005   1.960
   36   2H5*    G   4          2H5*        G   4   9.174   1.881   1.237
   37    H4*    G   4           H4*        G   4  10.515   2.563   3.892
   38    H3*    G   4           H3*        G   4   7.891   1.245   3.128
   39    H2*    G   4           H2*        G   4   6.924   2.198   5.107
   40   2HO*    G   4          2HO*        G   4   9.104   1.898   6.227
   41    H1*    G   4           H1*        G   4   8.000   4.684   4.694
   42    H8     G   4           H8         G   4   5.267   4.401   4.973
   43    H1     G   4           H1         G   4   4.869   3.488  -1.381
   44   1H2     G   4          1H2         G   4   8.329   2.890  -1.137
   45   2H2     G   4          2H2         G   4   6.949   3.030  -2.214
   46   1H5*    G   5          1H5*        G   5   7.439   0.554   6.953
   47   2H5*    G   5          2H5*        G   5   7.030  -1.144   7.250
   48    H4*    G   5           H4*        G   5   5.275   0.447   8.017
   49    H3*    G   5           H3*        G   5   4.550  -1.518   5.834
   50    H2*    G   5           H2*        G   5   2.275  -0.725   6.064
   51   2HO*    G   5          2HO*        G   5   2.649  -0.491   8.465
   52    H1*    G   5           H1*        G   5   2.929   1.909   6.168
   53    H8     G   5           H8         G   5   5.311   0.666   3.565
   54    H1     G   5           H1         G   5  -0.779   1.117   1.499
   55   1H2     G   5          1H2         G   5  -1.514   1.235   4.906
   56   2H2     G   5          2H2         G   5  -2.164   1.182   3.268
   57   1H5*    C   6          1H5*        C   6   1.450  -1.885   8.832
   58   2H5*    C   6          2H5*        C   6   1.054  -3.597   9.043
   59    H4*    C   6           H4*        C   6  -0.904  -2.176   8.401
   60    H3*    C   6           H3*        C   6  -0.048  -4.401   6.538
   61    H2*    C   6           H2*        C   6  -2.029  -3.920   5.257
   62   2HO*    C   6          2HO*        C   6  -3.263  -3.521   7.281
   63    H1*    C   6           H1*        C   6  -1.798  -1.183   5.436
   64   1H4     C   6          1H4         C   6   2.220  -2.500   0.413
   65   2H4     C   6          2H4         C   6   0.616  -2.226  -0.252
   66    H5     C   6           H5         C   6   2.616  -2.635   2.848
   67    H6     C   6           H6         C   6   1.567  -2.464   5.013
   68   1H5*    G   7          1H5*        G   7  -4.343  -5.006   7.410
   69   2H5*    G   7          2H5*        G   7  -4.662  -6.748   7.441
   70    H4*    G   7           H4*        G   7  -5.986  -5.519   5.711
   71    H3*    G   7           H3*        G   7  -4.007  -7.592   4.750
   72    H2*    G   7           H2*        G   7  -4.958  -7.247   2.524
   73   2HO*    G   7          2HO*        G   7  -7.095  -6.968   2.846
   74    H1*    G   7           H1*        G   7  -4.904  -4.534   2.708
   75    H8     G   7           H8         G   7  -1.842  -6.101   4.474
   76    H1     G   7           H1         G   7  -1.107  -4.946  -1.815
   77   1H2     G   7          1H2         G   7  -3.171  -4.574  -2.740
   78   2H2     G   7          2H2         G   7  -4.594  -4.557  -1.715
   79   1H5*    U   8          1H5*        U   8  -8.322  -8.603   3.640
   80   2H5*    U   8          2H5*        U   8  -8.486 -10.351   3.367
   81    H4*    U   8           H4*        U   8  -9.150  -8.930   1.399
   82    H3*    U   8           H3*        U   8  -6.785 -10.787   0.987
   83    H2*    U   8           H2*        U   8  -6.928 -10.124  -1.352
   84   2HO*    U   8          2HO*        U   8  -9.329 -10.011  -1.209
   85    H1*    U   8           H1*        U   8  -7.145  -7.478  -0.774
   86    H3     U   8           H3         U   8  -2.931  -7.760  -2.363
   87    H5     U   8           H5         U   8  -2.674  -9.574   1.418
   88    H6     U   8           H6         U   8  -5.060  -9.448   1.595
   89   1H5*    G   9          1H5*        G   9  -9.640 -11.559  -2.278
   90   2H5*    G   9          2H5*        G   9  -9.642 -13.304  -2.572
   91    H4*    G   9           H4*        G   9  -9.208 -12.045  -4.608
   92    H3*    G   9           H3*        G   9  -6.879 -13.707  -3.642
   93    H2*    G   9           H2*        G   9  -5.852 -13.148  -5.787
   94   2HO*    G   9          2HO*        G   9  -8.094 -13.218  -6.791
   95    H1*    G   9           H1*        G   9  -6.393 -10.548  -5.658
   96    H8     G   9           H8         G   9  -5.898 -11.633  -2.102
   97    H1     G   9           H1         G   9  -0.406 -10.666  -5.312
   98   1H2     G   9          1H2         G   9  -2.483 -10.823  -8.110
   99   2H2     G   9          2H2         G   9  -0.823 -10.747  -7.512
  100   1H5*    C  10          1H5*        C  10  -7.254 -14.769  -7.770
  101   2H5*    C  10          2H5*        C  10  -7.069 -16.526  -7.902
  102    H4*    C  10           H4*        C  10  -5.400 -15.340  -9.267
  103    H3*    C  10           H3*        C  10  -4.300 -16.859  -6.882
  104    H2*    C  10           H2*        C  10  -2.128 -16.387  -7.723
  105   2HO*    C  10          2HO*        C  10  -1.822 -15.471  -9.799
  106    H1*    C  10           H1*        C  10  -2.709 -13.761  -8.464
  107   1H4     C  10          1H4         C  10  -1.270 -13.979  -1.987
  108   2H4     C  10          2H4         C  10   0.268 -13.788  -2.804
  109    H5     C  10           H5         C  10  -3.381 -14.339  -3.172
  110    H6     C  10           H6         C  10  -4.410 -14.452  -5.361
  111    H3T    C  10           H3T        C  10  -4.044 -17.493  -9.599
  112   1H5*    G   1          1H5*        G   1  10.947 -12.477  -4.121
  113   2H5*    G   1          2H5*        G   1  10.982 -10.799  -4.693
  114    H4*    G   1           H4*        G   1   9.994 -12.246  -6.384
  115    H3*    G   1           H3*        G   1   8.014 -10.375  -5.053
  116    H2*    G   1           H2*        G   1   6.447 -11.119  -6.739
  117   2HO*    G   1          2HO*        G   1   8.199 -11.243  -8.383
  118    H1*    G   1           H1*        G   1   7.006 -13.718  -6.458
  119    H8     G   1           H8         G   1   7.281 -12.148  -3.000
  120    H1     G   1           H1         G   1   1.299 -13.679  -4.810
  121   1H2     G   1          1H2         G   1   1.222 -13.987  -6.950
  122   2H2     G   1          2H2         G   1   2.609 -13.926  -7.982
  123    H5T    G   1           H5T        G   1  10.247 -10.824  -2.580
  124   1H5*    C   2          1H5*        C   2   7.611  -9.714  -9.332
  125   2H5*    C   2          2H5*        C   2   7.226  -8.009  -9.606
  126    H4*    C   2           H4*        C   2   5.514  -9.535 -10.523
  127    H3*    C   2           H3*        C   2   4.563  -7.811  -8.218
  128    H2*    C   2           H2*        C   2   2.343  -8.605  -8.871
  129   2HO*    C   2          2HO*        C   2   2.880  -8.618 -11.181
  130    H1*    C   2           H1*        C   2   3.127 -11.198  -9.013
  131   1H4     C   2          1H4         C   2   2.575  -9.680  -2.558
  132   2H4     C   2          2H4         C   2   0.975 -10.163  -3.105
  133    H5     C   2           H5         C   2   4.462  -9.412  -4.124
  134    H6     C   2           H6         C   2   5.137  -9.634  -6.430
  135   1H5*    A   3          1H5*        A   3   2.158  -7.130 -11.761
  136   2H5*    A   3          2H5*        A   3   1.644  -5.452 -11.934
  137    H4*    A   3           H4*        A   3  -0.250  -7.146 -11.921
  138    H3*    A   3           H3*        A   3  -0.190  -4.959  -9.836
  139    H2*    A   3           H2*        A   3  -2.110  -5.879  -8.798
  140   2HO*    A   3          2HO*        A   3  -2.982  -6.321 -11.034
  141    H1*    A   3           H1*        A   3  -1.450  -8.518  -9.040
  142    H8     A   3           H8         A   3   1.769  -6.912  -7.916
  143   1H6     A   3          1H6         A   3  -0.574  -7.564  -2.209
  144   2H6     A   3          2H6         A   3   0.881  -7.244  -3.138
  145    H2     A   3           H2         A   3  -3.941  -7.753  -5.086
  146   1H5*    G   4          1H5*        G   4  -1.879  -0.910 -10.876
  147   2H5*    G   4          2H5*        G   4  -1.292  -1.385  -9.283
  148    H4*    G   4           H4*        G   4  -3.687  -2.472 -10.808
  149    H3*    G   4           H3*        G   4  -3.188  -1.179  -8.108
  150    H2*    G   4           H2*        G   4  -5.157  -2.272  -7.298
  151   2HO*    G   4          2HO*        G   4  -6.121  -1.987  -9.572
  152    H1*    G   4           H1*        G   4  -4.522  -4.701  -8.408
  153    H8     G   4           H8         G   4  -4.973  -4.199  -5.609
  154    H1     G   4           H1         G   4   1.435  -3.952  -5.102
  155   1H2     G   4          1H2         G   4   2.355  -3.910  -7.237
  156   2H2     G   4          2H2         G   4   1.292  -3.728  -8.609
  157   1H5*    G   5          1H5*        G   5  -7.038  -0.673  -7.882
  158   2H5*    G   5          2H5*        G   5  -7.450   0.993  -7.437
  159    H4*    G   5           H4*        G   5  -8.217  -0.671  -5.761
  160    H3*    G   5           H3*        G   5  -6.111   1.309  -4.859
  161    H2*    G   5           H2*        G   5  -6.415   0.395  -2.637
  162   2HO*    G   5          2HO*        G   5  -8.794   0.127  -3.124
  163    H1*    G   5           H1*        G   5  -6.424  -2.203  -3.430
  164    H8     G   5           H8         G   5  -3.790  -0.625  -5.617
  165    H1     G   5           H1         G   5  -1.864  -1.757   0.426
  166   1H2     G   5          1H2         G   5  -5.286  -1.994   1.065
  167   2H2     G   5          2H2         G   5  -3.662  -1.983   1.750
  168   1H5*    C   6          1H5*        C   6  -9.223   1.469  -1.873
  169   2H5*    C   6          2H5*        C   6  -9.456   3.143  -1.346
  170    H4*    C   6           H4*        C   6  -8.831   1.578   0.508
  171    H3*    C   6           H3*        C   6  -6.928   3.846  -0.137
  172    H2*    C   6           H2*        C   6  -5.709   3.177   1.825
  173   2HO*    C   6          2HO*        C   6  -7.797   2.697   2.951
  174    H1*    C   6           H1*        C   6  -5.906   0.475   1.349
  175   1H4     C   6          1H4         C   6  -0.792   2.249  -2.400
  176   2H4     C   6          2H4         C   6  -0.148   1.782  -0.833
  177    H5     C   6           H5         C   6  -3.213   2.415  -2.829
  178    H6     C   6           H6         C   6  -5.399   2.123  -1.854
  179   1H5*    G   7          1H5*        G   7  -7.717   4.219   4.139
  180   2H5*    G   7          2H5*        G   7  -7.677   5.934   4.585
  181    H4*    G   7           H4*        G   7  -5.927   4.569   5.729
  182    H3*    G   7           H3*        G   7  -4.927   6.702   3.831
  183    H2*    G   7           H2*        G   7  -2.682   6.164   4.698
  184   2HO*    G   7          2HO*        G   7  -2.898   5.676   6.789
  185    H1*    G   7           H1*        G   7  -3.037   3.501   4.367
  186    H8     G   7           H8         G   7  -4.941   5.256   1.523
  187    H1     G   7           H1         G   7   1.397   4.643   0.598
  188   1H2     G   7          1H2         G   7   2.377   4.097   2.582
  189   2H2     G   7          2H2         G   7   1.376   3.796   3.989
  190   1H5*    U   8          1H5*        U   8  -3.485   7.096   8.005
  191   2H5*    U   8          2H5*        U   8  -3.103   8.774   8.434
  192    H4*    U   8           H4*        U   8  -1.196   7.158   8.761
  193    H3*    U   8           H3*        U   8  -0.768   9.341   6.699
  194    H2*    U   8           H2*        U   8   1.551   8.621   6.778
  195   2HO*    U   8          2HO*        U   8   2.329   7.182   8.216
  196    H1*    U   8           H1*        U   8   0.855   5.993   6.527
  197    H3     U   8           H3         U   8   2.687   7.205   2.540
  198    H5     U   8           H5         U   8  -1.229   8.740   2.431
  199    H6     U   8           H6         U   8  -1.485   8.168   4.746
  200   1H5*    G   9          1H5*        G   9   2.310   9.469   9.666
  201   2H5*    G   9          2H5*        G   9   2.742  11.133  10.090
  202    H4*    G   9           H4*        G   9   4.701   9.810   9.459
  203    H3*    G   9           H3*        G   9   4.009  12.072   7.579
  204    H2*    G   9           H2*        G   9   6.145  11.578   6.496
  205   2HO*    G   9          2HO*        G   9   7.029  10.994   8.722
  206    H1*    G   9           H1*        G   9   5.761   8.955   6.363
  207    H8     G   9           H8         G   9   2.295  10.285   6.084
  208    H1     G   9           H1         G   9   5.600  10.569   0.579
  209   1H2     G   9          1H2         G   9   8.365  10.156   2.669
  210   2H2     G   9          2H2         G   9   7.787  10.457   1.027
  211   1H5*    C  10          1H5*        C  10   8.103  12.709   8.209
  212   2H5*    C  10          2H5*        C  10   8.379  14.434   8.511
  213    H4*    C  10           H4*        C  10   9.639  13.688   6.545
  214    H3*    C  10           H3*        C  10   7.322  15.556   5.955
  215    H2*    C  10           H2*        C  10   8.044  15.606   3.699
  216   2HO*    C  10          2HO*        C  10  10.057  14.702   3.066
  217    H1*    C  10           H1*        C  10   8.649  12.891   3.548
  218   1H4     C  10          1H4         C  10   2.143  13.624   2.533
  219   2H4     C  10          2H4         C  10   2.938  13.764   0.969
  220    H5     C  10           H5         C  10   3.436  13.482   4.637
  221    H6     C  10           H6         C  10   5.664  13.269   5.545
  222    H3T    C  10           H3T        C  10  10.062  16.089   5.734
  Start of MODEL   19
    1   1H5*    G   1          1H5*        G   1   3.599  13.388 -10.284
    2   2H5*    G   1          2H5*        G   1   4.211  11.746 -10.560
    3    H4*    G   1           H4*        G   1   5.950  13.144  -9.579
    4    H3*    G   1           H3*        G   1   4.874  10.997  -7.729
    5    H2*    G   1           H2*        G   1   6.642  11.636  -6.216
    6   2HO*    G   1          2HO*        G   1   8.113  12.026  -8.110
    7    H1*    G   1           H1*        G   1   6.265  14.271  -6.459
    8    H8     G   1           H8         G   1   2.820  12.695  -6.596
    9    H1     G   1           H1         G   1   5.166  13.564  -0.666
   10   1H2     G   1          1H2         G   1   8.208  13.923  -2.351
   11   2H2     G   1          2H2         G   1   7.392  13.851  -0.789
   12    H5T    G   1           H5T        G   1   2.179  11.613  -9.630
   13   1H5*    C   2          1H5*        C   2   9.149  10.494  -7.579
   14   2H5*    C   2          2H5*        C   2   9.493   8.761  -7.489
   15    H4*    C   2           H4*        C   2  10.402  10.009  -5.555
   16    H3*    C   2           H3*        C   2   8.217   8.013  -4.950
   17    H2*    C   2           H2*        C   2   8.730   8.421  -2.613
   18   2HO*    C   2          2HO*        C   2  11.052   8.577  -3.038
   19    H1*    C   2           H1*        C   2   8.900  11.141  -2.891
   20   1H4     C   2          1H4         C   2   2.425   9.759  -2.540
   21   2H4     C   2          2H4         C   2   3.008   9.995  -0.895
   22    H5     C   2           H5         C   2   3.976   9.708  -4.467
   23    H6     C   2           H6         C   2   6.283   9.974  -5.126
   24   1H5*    A   3          1H5*        A   3  11.820   6.980  -2.619
   25   2H5*    A   3          2H5*        A   3  11.901   5.223  -2.395
   26    H4*    A   3           H4*        A   3  11.790   6.545  -0.243
   27    H3*    A   3           H3*        A   3   9.601   4.567  -0.891
   28    H2*    A   3           H2*        A   3   8.667   5.023   1.267
   29   2HO*    A   3          2HO*        A   3  10.414   5.110   2.585
   30    H1*    A   3           H1*        A   3   9.037   7.745   1.139
   31    H8     A   3           H8         A   3   7.808   6.426  -2.245
   32   1H6     A   3          1H6         A   3   2.147   7.262   0.243
   33   2H6     A   3          2H6         A   3   3.003   6.881  -1.247
   34    H2     A   3           H2         A   3   5.107   7.543   3.488
   35   1H5*    G   4          1H5*        G   4  11.534   3.559   3.141
   36   2H5*    G   4          2H5*        G   4  11.384   1.805   3.359
   37    H4*    G   4           H4*        G   4  10.378   3.123   5.217
   38    H3*    G   4           H3*        G   4   8.407   1.498   3.576
   39    H2*    G   4           H2*        G   4   6.834   2.050   5.311
   40   2HO*    G   4          2HO*        G   4   8.653   1.798   6.943
   41    H1*    G   4           H1*        G   4   7.795   4.663   5.601
   42    H8     G   4           H8         G   4   5.233   4.957   5.507
   43    H1     G   4           H1         G   4   4.879   2.990  -0.599
   44   1H2     G   4          1H2         G   4   8.283   2.254  -0.215
   45   2H2     G   4          2H2         G   4   6.900   2.263  -1.288
   46   1H5*    G   5          1H5*        G   5   7.613   0.294   7.599
   47   2H5*    G   5          2H5*        G   5   7.222  -1.429   7.613
   48    H4*    G   5           H4*        G   5   5.424   0.084   8.514
   49    H3*    G   5           H3*        G   5   4.804  -1.705   6.157
   50    H2*    G   5           H2*        G   5   2.502  -0.996   6.419
   51   2HO*    G   5          2HO*        G   5   2.811  -0.978   8.830
   52    H1*    G   5           H1*        G   5   3.080   1.634   6.776
   53    H8     G   5           H8         G   5   5.485   0.559   4.082
   54    H1     G   5           H1         G   5  -0.583   1.253   2.016
   55   1H2     G   5          1H2         G   5  -1.343   1.231   5.416
   56   2H2     G   5          2H2         G   5  -1.975   1.277   3.773
   57   1H5*    C   6          1H5*        C   6   1.742  -2.440   9.179
   58   2H5*    C   6          2H5*        C   6   1.316  -4.157   9.183
   59    H4*    C   6           H4*        C   6  -0.610  -2.605   8.723
   60    H3*    C   6           H3*        C   6   0.159  -4.653   6.633
   61    H2*    C   6           H2*        C   6  -1.812  -3.972   5.426
   62   2HO*    C   6          2HO*        C   6  -2.979  -3.703   7.541
   63    H1*    C   6           H1*        C   6  -1.461  -1.280   5.854
   64   1H4     C   6          1H4         C   6   2.486  -2.445   0.715
   65   2H4     C   6          2H4         C   6   0.892  -2.039   0.090
   66    H5     C   6           H5         C   6   2.885  -2.754   3.143
   67    H6     C   6           H6         C   6   1.847  -2.682   5.317
   68   1H5*    G   7          1H5*        G   7  -4.126  -5.151   7.289
   69   2H5*    G   7          2H5*        G   7  -4.517  -6.873   7.175
   70    H4*    G   7           H4*        G   7  -5.726  -5.471   5.506
   71    H3*    G   7           H3*        G   7  -3.787  -7.530   4.439
   72    H2*    G   7           H2*        G   7  -4.701  -6.993   2.222
   73   2HO*    G   7          2HO*        G   7  -6.821  -6.636   2.515
   74    H1*    G   7           H1*        G   7  -4.522  -4.313   2.609
   75    H8     G   7           H8         G   7  -1.561  -6.006   4.384
   76    H1     G   7           H1         G   7  -0.635  -4.766  -1.861
   77   1H2     G   7          1H2         G   7  -2.594  -4.260  -2.802
   78   2H2     G   7          2H2         G   7  -4.091  -4.249  -1.864
   79   1H5*    U   8          1H5*        U   8  -8.109  -8.255   3.279
   80   2H5*    U   8          2H5*        U   8  -8.395  -9.967   2.898
   81    H4*    U   8           H4*        U   8  -8.992  -8.391   1.033
   82    H3*    U   8           H3*        U   8  -6.734 -10.343   0.481
   83    H2*    U   8           H2*        U   8  -6.873  -9.539  -1.816
   84   2HO*    U   8          2HO*        U   8  -9.270  -9.312  -1.607
   85    H1*    U   8           H1*        U   8  -6.945  -6.922  -1.071
   86    H3     U   8           H3         U   8  -2.797  -7.376  -2.805
   87    H5     U   8           H5         U   8  -2.551  -9.357   0.895
   88    H6     U   8           H6         U   8  -4.921  -9.115   1.136
   89   1H5*    G   9          1H5*        G   9  -9.612 -10.826  -2.813
   90   2H5*    G   9          2H5*        G   9  -9.793 -12.568  -3.074
   91    H4*    G   9           H4*        G   9  -9.267 -11.437  -5.147
   92    H3*    G   9           H3*        G   9  -7.066 -13.234  -4.121
   93    H2*    G   9           H2*        G   9  -5.973 -12.820  -6.262
   94   2HO*    G   9          2HO*        G   9  -8.223 -12.757  -7.280
   95    H1*    G   9           H1*        G   9  -6.337 -10.184  -6.242
   96    H8     G   9           H8         G   9  -5.963 -11.073  -2.632
   97    H1     G   9           H1         G   9  -0.381 -10.637  -5.798
   98   1H2     G   9          1H2         G   9  -2.422 -10.935  -8.614
   99   2H2     G   9          2H2         G   9  -0.770 -10.869  -7.995
  100   1H5*    C  10          1H5*        C  10  -7.323 -14.391  -8.180
  101   2H5*    C  10          2H5*        C  10  -7.356 -16.161  -8.233
  102    H4*    C  10           H4*        C  10  -5.475 -15.352  -9.535
  103    H3*    C  10           H3*        C  10  -4.619 -16.608  -6.900
  104    H2*    C  10           H2*        C  10  -2.393 -16.494  -7.746
  105   2HO*    C  10          2HO*        C  10  -3.222 -17.037  -9.970
  106    H1*    C  10           H1*        C  10  -2.691 -13.935  -8.761
  107   1H4     C  10          1H4         C  10  -1.599 -13.618  -2.194
  108   2H4     C  10          2H4         C  10  -0.031 -13.588  -2.994
  109    H5     C  10           H5         C  10  -3.694 -13.958  -3.466
  110    H6     C  10           H6         C  10  -4.616 -14.183  -5.691
  111    H3T    C  10           H3T        C  10  -5.724 -18.018  -8.289
  112   1H5*    G   1          1H5*        G   1  10.587 -12.348  -3.982
  113   2H5*    G   1          2H5*        G   1  10.852 -10.818  -4.833
  114    H4*    G   1           H4*        G   1   9.936 -12.369  -6.411
  115    H3*    G   1           H3*        G   1   7.808 -10.417  -5.477
  116    H2*    G   1           H2*        G   1   6.422 -11.354  -7.195
  117   2HO*    G   1          2HO*        G   1   8.334 -11.603  -8.657
  118    H1*    G   1           H1*        G   1   6.995 -13.897  -6.594
  119    H8     G   1           H8         G   1   6.947 -12.025  -3.302
  120    H1     G   1           H1         G   1   1.136 -13.735  -5.478
  121   1H2     G   1          1H2         G   1   2.833 -14.203  -8.496
  122   2H2     G   1          2H2         G   1   1.276 -14.189  -7.670
  123    H5T    G   1           H5T        G   1   9.038  -9.970  -3.855
  124   1H5*    C   2          1H5*        C   2   7.673 -10.047  -9.675
  125   2H5*    C   2          2H5*        C   2   7.340  -8.362 -10.106
  126    H4*    C   2           H4*        C   2   5.616  -9.893 -10.962
  127    H3*    C   2           H3*        C   2   4.648  -8.016  -8.787
  128    H2*    C   2           H2*        C   2   2.424  -8.826  -9.395
  129   2HO*    C   2          2HO*        C   2   3.019  -8.985 -11.707
  130    H1*    C   2           H1*        C   2   3.166 -11.436  -9.387
  131   1H4     C   2          1H4         C   2   2.580  -9.477  -3.049
  132   2H4     C   2          2H4         C   2   0.979  -9.973  -3.585
  133    H5     C   2           H5         C   2   4.495  -9.368  -4.605
  134    H6     C   2           H6         C   2   5.192  -9.781  -6.880
  135   1H5*    A   3          1H5*        A   3   2.262  -7.508 -12.358
  136   2H5*    A   3          2H5*        A   3   1.692  -5.846 -12.576
  137    H4*    A   3           H4*        A   3  -0.107  -7.644 -12.431
  138    H3*    A   3           H3*        A   3  -0.117  -5.271 -10.595
  139    H2*    A   3           H2*        A   3  -2.065  -6.059  -9.525
  140   2HO*    A   3          2HO*        A   3  -3.156  -6.572 -11.469
  141    H1*    A   3           H1*        A   3  -1.396  -8.733  -9.518
  142    H8     A   3           H8         A   3   1.801  -7.111  -8.495
  143   1H6     A   3          1H6         A   3  -0.531  -7.323  -2.764
  144   2H6     A   3          2H6         A   3   0.915  -7.052  -3.724
  145    H2     A   3           H2         A   3  -3.926  -7.605  -5.616
  146   1H5*    G   4          1H5*        G   4  -2.629  -1.494 -11.231
  147   2H5*    G   4          2H5*        G   4  -1.404  -1.658  -9.971
  148    H4*    G   4           H4*        G   4  -4.089  -3.078 -10.140
  149    H3*    G   4           H3*        G   4  -2.723  -1.253  -8.139
  150    H2*    G   4           H2*        G   4  -4.195  -2.198  -6.487
  151   2HO*    G   4          2HO*        G   4  -5.944  -2.308  -8.217
  152    H1*    G   4           H1*        G   4  -3.874  -4.792  -7.453
  153    H8     G   4           H8         G   4  -3.507  -3.929  -4.721
  154    H1     G   4           H1         G   4   2.757  -4.108  -6.193
  155   1H2     G   4          1H2         G   4   1.539  -3.979  -9.484
  156   2H2     G   4          2H2         G   4   2.962  -4.253  -8.512
  157   1H5*    G   5          1H5*        G   5  -6.973  -0.843  -7.405
  158   2H5*    G   5          2H5*        G   5  -7.345   0.845  -7.014
  159    H4*    G   5           H4*        G   5  -8.071  -0.779  -5.259
  160    H3*    G   5           H3*        G   5  -5.975   1.266  -4.478
  161    H2*    G   5           H2*        G   5  -6.262   0.446  -2.213
  162   2HO*    G   5          2HO*        G   5  -8.639   0.114  -2.677
  163    H1*    G   5           H1*        G   5  -6.225  -2.179  -2.912
  164    H8     G   5           H8         G   5  -3.651  -0.506  -5.144
  165    H1     G   5           H1         G   5  -1.655  -1.608   0.877
  166   1H2     G   5          1H2         G   5  -5.070  -1.910   1.541
  167   2H2     G   5          2H2         G   5  -3.439  -1.858   2.214
  168   1H5*    C   6          1H5*        C   6  -9.038   1.466  -1.442
  169   2H5*    C   6          2H5*        C   6  -9.289   3.151  -0.967
  170    H4*    C   6           H4*        C   6  -8.644   1.652   0.930
  171    H3*    C   6           H3*        C   6  -6.770   3.922   0.218
  172    H2*    C   6           H2*        C   6  -5.569   3.346   2.225
  173   2HO*    C   6          2HO*        C   6  -7.647   2.892   3.354
  174    H1*    C   6           H1*        C   6  -5.737   0.620   1.844
  175   1H4     C   6          1H4         C   6  -0.579   2.336  -1.882
  176   2H4     C   6          2H4         C   6   0.051   1.918  -0.297
  177    H5     C   6           H5         C   6  -2.991   2.460  -2.349
  178    H6     C   6           H6         C   6  -5.189   2.167  -1.401
  179   1H5*    G   7          1H5*        G   7  -7.739   4.440   4.465
  180   2H5*    G   7          2H5*        G   7  -7.738   6.171   4.850
  181    H4*    G   7           H4*        G   7  -6.032   4.870   6.128
  182    H3*    G   7           H3*        G   7  -4.969   6.944   4.197
  183    H2*    G   7           H2*        G   7  -2.765   6.469   5.177
  184   2HO*    G   7          2HO*        G   7  -3.368   6.147   7.328
  185    H1*    G   7           H1*        G   7  -3.076   3.781   4.972
  186    H8     G   7           H8         G   7  -4.820   5.478   1.976
  187    H1     G   7           H1         G   7   1.526   4.641   1.338
  188   1H2     G   7          1H2         G   7   2.412   4.185   3.395
  189   2H2     G   7          2H2         G   7   1.344   3.916   4.759
  190   1H5*    U   8          1H5*        U   8  -3.600   7.641   8.373
  191   2H5*    U   8          2H5*        U   8  -3.268   9.359   8.656
  192    H4*    U   8           H4*        U   8  -1.317   7.839   9.099
  193    H3*    U   8           H3*        U   8  -0.959   9.867   6.866
  194    H2*    U   8           H2*        U   8   1.388   9.194   6.971
  195   2HO*    U   8          2HO*        U   8   1.248   8.885   9.356
  196    H1*    U   8           H1*        U   8   0.775   6.546   6.964
  197    H3     U   8           H3         U   8   2.449   7.386   2.816
  198    H5     U   8           H5         U   8  -1.474   8.889   2.682
  199    H6     U   8           H6         U   8  -1.664   8.513   5.043
  200   1H5*    G   9          1H5*        G   9   2.262  10.369   9.781
  201   2H5*    G   9          2H5*        G   9   2.604  12.093   9.978
  202    H4*    G   9           H4*        G   9   4.609  10.798   9.433
  203    H3*    G   9           H3*        G   9   3.750  12.793   7.333
  204    H2*    G   9           H2*        G   9   5.896  12.286   6.266
  205   2HO*    G   9          2HO*        G   9   6.839  12.000   8.529
  206    H1*    G   9           H1*        G   9   5.642   9.646   6.448
  207    H8     G   9           H8         G   9   2.118  10.799   6.085
  208    H1     G   9           H1         G   9   5.333  10.504   0.520
  209   1H2     G   9          1H2         G   9   8.136  10.409   2.601
  210   2H2     G   9          2H2         G   9   7.532  10.472   0.944
  211   1H5*    C  10          1H5*        C  10   7.824  13.657   7.781
  212   2H5*    C  10          2H5*        C  10   8.029  15.410   7.920
  213    H4*    C  10           H4*        C  10   9.310  14.599   6.022
  214    H3*    C  10           H3*        C  10   6.813  16.122   5.187
  215    H2*    C  10           H2*        C  10   7.670  16.035   2.967
  216   2HO*    C  10          2HO*        C  10   9.926  16.333   3.841
  217    H1*    C  10           H1*        C  10   8.435  13.384   3.139
  218   1H4     C  10          1H4         C  10   1.875  13.698   2.048
  219   2H4     C  10          2H4         C  10   2.673  13.671   0.479
  220    H5     C  10           H5         C  10   3.165  13.832   4.154
  221    H6     C  10           H6         C  10   5.393  13.812   5.081
  222    H3T    C  10           H3T        C  10   8.309  17.345   6.372
  Start of MODEL   20
    1   1H5*    G   1          1H5*        G   1   5.006  14.411  -9.360
    2   2H5*    G   1          2H5*        G   1   6.167  13.110  -9.669
    3    H4*    G   1           H4*        G   1   7.293  14.795  -8.391
    4    H3*    G   1           H3*        G   1   6.544  12.435  -6.634
    5    H2*    G   1           H2*        G   1   7.859  13.485  -4.929
    6   2HO*    G   1          2HO*        G   1   9.448  14.253  -6.597
    7    H1*    G   1           H1*        G   1   6.841  15.929  -5.304
    8    H8     G   1           H8         G   1   3.986  13.529  -5.902
    9    H1     G   1           H1         G   1   5.190  14.724   0.306
   10   1H2     G   1          1H2         G   1   8.237  15.913  -0.922
   11   2H2     G   1          2H2         G   1   7.275  15.526   0.504
   12    H5T    G   1           H5T        G   1   5.181  11.872  -8.097
   13   1H5*    C   2          1H5*        C   2  10.669  12.891  -5.925
   14   2H5*    C   2          2H5*        C   2  11.406  11.293  -5.741
   15    H4*    C   2           H4*        C   2  11.718  12.698  -3.746
   16    H3*    C   2           H3*        C   2   9.956  10.266  -3.353
   17    H2*    C   2           H2*        C   2  10.065  10.817  -0.971
   18   2HO*    C   2          2HO*        C   2  12.344  11.535  -1.197
   19    H1*    C   2           H1*        C   2   9.588  13.466  -1.340
   20   1H4     C   2          1H4         C   2   3.722  10.424  -1.986
   21   2H4     C   2          2H4         C   2   3.961  10.735  -0.269
   22    H5     C   2           H5         C   2   5.508  10.850  -3.641
   23    H6     C   2           H6         C   2   7.740  11.734  -3.923
   24   1H5*    A   3          1H5*        A   3  13.224  10.166  -0.415
   25   2H5*    A   3          2H5*        A   3  13.710   8.479  -0.154
   26    H4*    A   3           H4*        A   3  12.904   9.674   1.931
   27    H3*    A   3           H3*        A   3  11.466   7.210   0.936
   28    H2*    A   3           H2*        A   3  10.120   7.277   2.902
   29   2HO*    A   3          2HO*        A   3  11.981   7.931   4.238
   30    H1*    A   3           H1*        A   3   9.714  10.008   2.795
   31    H8     A   3           H8         A   3   9.433   8.861  -0.778
   32   1H6     A   3          1H6         A   3   3.499   7.728   0.710
   33   2H6     A   3          2H6         A   3   4.633   7.908  -0.629
   34    H2     A   3           H2         A   3   5.810   7.937   4.456
   35   1H5*    G   4          1H5*        G   4  11.653   3.065   3.085
   36   2H5*    G   4          2H5*        G   4  10.998   3.937   1.689
   37    H4*    G   4           H4*        G   4   9.826   4.032   4.503
   38    H3*    G   4           H3*        G   4   9.111   2.508   1.988
   39    H2*    G   4           H2*        G   4   6.794   2.701   2.567
   40   2HO*    G   4          2HO*        G   4   6.794   2.443   4.785
   41    H1*    G   4           H1*        G   4   6.961   5.348   3.260
   42    H8     G   4           H8         G   4   5.137   4.506   1.355
   43    H1     G   4           H1         G   4   9.578   6.258  -2.977
   44   1H2     G   4          1H2         G   4  11.843   5.527  -0.424
   45   2H2     G   4          2H2         G   4  11.593   6.145  -2.060
   46   1H5*    G   5          1H5*        G   5   7.661   1.027   6.089
   47   2H5*    G   5          2H5*        G   5   7.373  -0.724   6.101
   48    H4*    G   5           H4*        G   5   5.547   0.760   7.113
   49    H3*    G   5           H3*        G   5   4.882  -1.209   4.913
   50    H2*    G   5           H2*        G   5   2.561  -0.587   5.251
   51   2HO*    G   5          2HO*        G   5   2.975  -0.302   7.627
   52    H1*    G   5           H1*        G   5   3.041   2.071   5.263
   53    H8     G   5           H8         G   5   5.460   0.814   2.651
   54    H1     G   5           H1         G   5  -0.692   0.858   0.751
   55   1H2     G   5          1H2         G   5  -1.310   1.291   4.174
   56   2H2     G   5          2H2         G   5  -2.018   1.051   2.571
   57   1H5*    C   6          1H5*        C   6   1.982  -1.725   8.105
   58   2H5*    C   6          2H5*        C   6   1.651  -3.445   8.334
   59    H4*    C   6           H4*        C   6  -0.383  -2.038   7.867
   60    H3*    C   6           H3*        C   6   0.332  -4.299   5.990
   61    H2*    C   6           H2*        C   6  -1.782  -3.891   4.913
   62   2HO*    C   6          2HO*        C   6  -2.809  -3.458   7.039
   63    H1*    C   6           H1*        C   6  -1.580  -1.147   4.977
   64   1H4     C   6          1H4         C   6   1.913  -2.829  -0.360
   65   2H4     C   6          2H4         C   6   0.242  -2.686  -0.882
   66    H5     C   6           H5         C   6   2.569  -2.678   2.008
   67    H6     C   6           H6         C   6   1.756  -2.343   4.251
   68   1H5*    G   7          1H5*        G   7  -3.795  -5.056   7.324
   69   2H5*    G   7          2H5*        G   7  -4.040  -6.809   7.424
   70    H4*    G   7           H4*        G   7  -5.566  -5.683   5.798
   71    H3*    G   7           H3*        G   7  -3.585  -7.671   4.669
   72    H2*    G   7           H2*        G   7  -4.779  -7.401   2.538
   73   2HO*    G   7          2HO*        G   7  -6.877  -7.178   3.056
   74    H1*    G   7           H1*        G   7  -4.770  -4.693   2.690
   75    H8     G   7           H8         G   7  -1.492  -6.017   4.230
   76    H1     G   7           H1         G   7  -1.528  -5.615  -2.190
   77   1H2     G   7          1H2         G   7  -3.698  -5.372  -2.893
   78   2H2     G   7          2H2         G   7  -4.974  -5.168  -1.709
   79   1H5*    U   8          1H5*        U   8  -7.849  -8.722   3.872
   80   2H5*    U   8          2H5*        U   8  -8.060 -10.471   3.656
   81    H4*    U   8           H4*        U   8  -8.862  -9.076   1.721
   82    H3*    U   8           H3*        U   8  -6.588 -11.007   1.163
   83    H2*    U   8           H2*        U   8  -7.004 -10.458  -1.180
   84   2HO*    U   8          2HO*        U   8  -9.370 -10.258  -0.754
   85    H1*    U   8           H1*        U   8  -7.069  -7.787  -0.698
   86    H3     U   8           H3         U   8  -3.145  -8.499  -2.846
   87    H5     U   8           H5         U   8  -2.425  -9.797   1.101
   88    H6     U   8           H6         U   8  -4.757  -9.541   1.566
   89   1H5*    G   9          1H5*        G   9  -9.831 -11.822  -1.679
   90   2H5*    G   9          2H5*        G   9  -9.985 -13.575  -1.861
   91    H4*    G   9           H4*        G   9  -9.735 -12.445  -4.013
   92    H3*    G   9           H3*        G   9  -7.467 -14.275  -3.226
   93    H2*    G   9           H2*        G   9  -6.619 -13.909  -5.487
   94   2HO*    G   9          2HO*        G   9  -8.972 -13.809  -6.234
   95    H1*    G   9           H1*        G   9  -6.922 -11.270  -5.467
   96    H8     G   9           H8         G   9  -6.154 -12.077  -1.906
   97    H1     G   9           H1         G   9  -0.957 -11.729  -5.681
   98   1H2     G   9          1H2         G   9  -3.297 -11.988  -8.257
   99   2H2     G   9          2H2         G   9  -1.590 -11.893  -7.822
  100   1H5*    C  10          1H5*        C  10  -8.266 -15.508  -7.186
  101   2H5*    C  10          2H5*        C  10  -8.317 -17.279  -7.210
  102    H4*    C  10           H4*        C  10  -6.589 -16.494  -8.732
  103    H3*    C  10           H3*        C  10  -5.453 -17.737  -6.199
  104    H2*    C  10           H2*        C  10  -3.328 -17.631  -7.274
  105   2HO*    C  10          2HO*        C  10  -4.388 -18.183  -9.396
  106    H1*    C  10           H1*        C  10  -3.725 -15.077  -8.265
  107   1H4     C  10          1H4         C  10  -1.963 -14.695  -1.853
  108   2H4     C  10          2H4         C  10  -0.490 -14.634  -2.816
  109    H5     C  10           H5         C  10  -4.173 -15.084  -2.890
  110    H6     C  10           H6         C  10  -5.321 -15.338  -5.002
  111    H3T    C  10           H3T        C  10  -6.701 -19.150  -7.457
  112   1H5*    G   1          1H5*        G   1   9.997 -13.884  -4.817
  113   2H5*    G   1          2H5*        G   1  10.304 -12.393  -5.720
  114    H4*    G   1           H4*        G   1   9.122 -13.889  -7.173
  115    H3*    G   1           H3*        G   1   7.262 -11.746  -6.095
  116    H2*    G   1           H2*        G   1   5.644 -12.585  -7.651
  117   2HO*    G   1          2HO*        G   1   7.395 -13.025  -9.274
  118    H1*    G   1           H1*        G   1   6.069 -15.163  -7.058
  119    H8     G   1           H8         G   1   6.454 -13.263  -3.807
  120    H1     G   1           H1         G   1   0.383 -14.671  -5.422
  121   1H2     G   1          1H2         G   1   1.768 -15.196  -8.589
  122   2H2     G   1          2H2         G   1   0.297 -15.148  -7.617
  123    H5T    G   1           H5T        G   1   8.658 -11.388  -4.599
  124   1H5*    C   2          1H5*        C   2   6.712 -11.502 -10.259
  125   2H5*    C   2          2H5*        C   2   6.522  -9.805 -10.722
  126    H4*    C   2           H4*        C   2   4.559 -11.142 -11.357
  127    H3*    C   2           H3*        C   2   4.053  -9.117  -9.168
  128    H2*    C   2           H2*        C   2   1.698  -9.650  -9.500
  129   2HO*    C   2          2HO*        C   2   1.874  -9.865 -11.818
  130    H1*    C   2           H1*        C   2   2.124 -12.353  -9.575
  131   1H4     C   2          1H4         C   2   2.288 -10.551  -3.179
  132   2H4     C   2          2H4         C   2   0.615 -10.924  -3.580
  133    H5     C   2           H5         C   2   4.058 -10.529  -4.903
  134    H6     C   2           H6         C   2   4.520 -10.938  -7.237
  135   1H5*    A   3          1H5*        A   3   1.499  -8.314 -12.660
  136   2H5*    A   3          2H5*        A   3   1.151  -6.580 -12.805
  137    H4*    A   3           H4*        A   3  -0.898  -8.037 -12.567
  138    H3*    A   3           H3*        A   3  -0.339  -5.970 -10.428
  139    H2*    A   3           H2*        A   3  -2.511  -6.537  -9.519
  140   2HO*    A   3          2HO*        A   3  -3.515  -6.797 -11.614
  141    H1*    A   3           H1*        A   3  -2.108  -9.248  -9.743
  142    H8     A   3           H8         A   3   1.200  -7.673  -8.680
  143   1H6     A   3          1H6         A   3   0.405  -8.171  -3.766
  144   2H6     A   3          2H6         A   3  -1.054  -8.536  -2.924
  145    H2     A   3           H2         A   3  -4.382  -8.935  -5.735
  146   1H5*    G   4          1H5*        G   4  -4.380  -5.160 -12.021
  147   2H5*    G   4          2H5*        G   4  -4.665  -3.411 -11.982
  148    H4*    G   4           H4*        G   4  -6.343  -4.686 -10.673
  149    H3*    G   4           H3*        G   4  -4.516  -2.947  -8.976
  150    H2*    G   4           H2*        G   4  -6.084  -3.427  -7.211
  151   2HO*    G   4          2HO*        G   4  -7.888  -3.283  -8.875
  152    H1*    G   4           H1*        G   4  -6.419  -6.094  -8.027
  153    H8     G   4           H8         G   4  -6.103  -6.111  -5.432
  154    H1     G   4           H1         G   4   0.077  -4.414  -5.889
  155   1H2     G   4          1H2         G   4  -0.667  -3.842  -9.266
  156   2H2     G   4          2H2         G   4   0.562  -3.843  -8.020
  157   1H5*    G   5          1H5*        G   5  -8.396  -1.722  -7.800
  158   2H5*    G   5          2H5*        G   5  -8.405   0.030  -7.561
  159    H4*    G   5           H4*        G   5  -9.075  -1.267  -5.537
  160    H3*    G   5           H3*        G   5  -6.564   0.418  -5.335
  161    H2*    G   5           H2*        G   5  -6.652  -0.076  -2.961
  162   2HO*    G   5          2HO*        G   5  -9.069   0.051  -3.033
  163    H1*    G   5           H1*        G   5  -7.214  -2.727  -3.306
  164    H8     G   5           H8         G   5  -4.690  -1.920  -5.994
  165    H1     G   5           H1         G   5  -2.113  -2.292  -0.096
  166   1H2     G   5          1H2         G   5  -5.433  -2.147   0.952
  167   2H2     G   5          2H2         G   5  -3.741  -2.185   1.439
  168   1H5*    C   6          1H5*        C   6  -9.135   1.714  -2.073
  169   2H5*    C   6          2H5*        C   6  -8.967   3.467  -1.865
  170    H4*    C   6           H4*        C   6  -8.360   2.154   0.185
  171    H3*    C   6           H3*        C   6  -6.176   3.782  -1.145
  172    H2*    C   6           H2*        C   6  -4.791   3.208   0.720
  173   2HO*    C   6          2HO*        C   6  -6.621   3.442   2.241
  174    H1*    C   6           H1*        C   6  -5.631   0.575   0.855
  175   1H4     C   6          1H4         C   6  -0.728   1.041  -3.607
  176   2H4     C   6          2H4         C   6  -0.004   0.825  -2.011
  177    H5     C   6           H5         C   6  -3.189   1.388  -3.859
  178    H6     C   6           H6         C   6  -5.278   1.513  -2.652
  179   1H5*    G   7          1H5*        G   7  -5.002   7.568   1.728
  180   2H5*    G   7          2H5*        G   7  -3.534   6.700   1.279
  181    H4*    G   7           H4*        G   7  -5.705   5.582   3.107
  182    H3*    G   7           H3*        G   7  -3.173   7.121   3.581
  183    H2*    G   7           H2*        G   7  -2.367   5.650   5.242
  184   2HO*    G   7          2HO*        G   7  -4.790   5.434   5.914
  185    H1*    G   7           H1*        G   7  -3.030   3.298   4.035
  186    H8     G   7           H8         G   7  -2.128   4.827   0.906
  187    H1     G   7           H1         G   7   3.065   4.298   4.662
  188   1H2     G   7          1H2         G   7   2.401   3.816   6.796
  189   2H2     G   7          2H2         G   7   0.692   3.677   7.167
  190   1H5*    U   8          1H5*        U   8  -3.597   7.002   7.329
  191   2H5*    U   8          2H5*        U   8  -3.588   8.619   8.064
  192    H4*    U   8           H4*        U   8  -1.604   7.377   8.748
  193    H3*    U   8           H3*        U   8  -0.967   9.580   6.752
  194    H2*    U   8           H2*        U   8   1.356   9.101   7.288
  195   2HO*    U   8          2HO*        U   8   0.725   8.614   9.587
  196    H1*    U   8           H1*        U   8   1.040   6.423   7.047
  197    H3     U   8           H3         U   8   3.287   7.606   3.248
  198    H5     U   8           H5         U   8  -0.700   8.714   2.511
  199    H6     U   8           H6         U   8  -1.220   8.238   4.797
  200   1H5*    G   9          1H5*        G   9   1.637  10.234  10.146
  201   2H5*    G   9          2H5*        G   9   1.657  11.967  10.509
  202    H4*    G   9           H4*        G   9   3.908  11.098  10.207
  203    H3*    G   9           H3*        G   9   3.008  13.025   8.060
  204    H2*    G   9           H2*        G   9   5.329  12.955   7.292
  205   2HO*    G   9          2HO*        G   9   5.994  12.722   9.659
  206    H1*    G   9           H1*        G   9   5.535  10.301   7.371
  207    H8     G   9           H8         G   9   1.942  10.832   6.538
  208    H1     G   9           H1         G   9   5.872  11.493   1.493
  209   1H2     G   9          1H2         G   9   8.311  11.891   3.958
  210   2H2     G   9          2H2         G   9   7.930  11.974   2.235
  211   1H5*    C  10          1H5*        C  10   6.761  14.564   9.031
  212   2H5*    C  10          2H5*        C  10   6.608  16.310   9.281
  213    H4*    C  10           H4*        C  10   8.226  15.906   7.525
  214    H3*    C  10           H3*        C  10   5.584  16.958   6.444
  215    H2*    C  10           H2*        C  10   6.694  17.200   4.355
  216   2HO*    C  10          2HO*        C  10   8.720  17.885   5.526
  217    H1*    C  10           H1*        C  10   7.974  14.754   4.505
  218   1H4     C  10          1H4         C  10   1.679  13.795   2.565
  219   2H4     C  10          2H4         C  10   2.645  14.067   1.118
  220    H5     C  10           H5         C  10   2.651  14.032   4.831
  221    H6     C  10           H6         C  10   4.705  14.400   6.043
  222    H3T    C  10           H3T        C  10   6.641  18.368   7.868
  Start of MODEL   21
    1   1H5*    G   1          1H5*        G   1   3.622  13.383 -10.382
    2   2H5*    G   1          2H5*        G   1   4.376  11.843 -10.827
    3    H4*    G   1           H4*        G   1   6.040  13.175  -9.731
    4    H3*    G   1           H3*        G   1   4.975  11.032  -7.863
    5    H2*    G   1           H2*        G   1   6.728  11.685  -6.365
    6   2HO*    G   1          2HO*        G   1   8.217  12.083  -8.239
    7    H1*    G   1           H1*        G   1   6.295  14.315  -6.626
    8    H8     G   1           H8         G   1   2.889  12.681  -6.797
    9    H1     G   1           H1         G   1   5.159  13.546  -0.836
   10   1H2     G   1          1H2         G   1   8.213  13.952  -2.484
   11   2H2     G   1          2H2         G   1   7.382  13.857  -0.933
   12    H5T    G   1           H5T        G   1   3.330  10.852  -9.125
   13   1H5*    C   2          1H5*        C   2   9.158  10.477  -7.718
   14   2H5*    C   2          2H5*        C   2   9.503   8.743  -7.628
   15    H4*    C   2           H4*        C   2  10.415   9.981  -5.695
   16    H3*    C   2           H3*        C   2   8.209   8.010  -5.087
   17    H2*    C   2           H2*        C   2   8.716   8.423  -2.753
   18   2HO*    C   2          2HO*        C   2  11.038   8.547  -3.141
   19    H1*    C   2           H1*        C   2   8.917  11.141  -3.036
   20   1H4     C   2          1H4         C   2   2.441   9.725  -2.690
   21   2H4     C   2          2H4         C   2   3.019   9.947  -1.043
   22    H5     C   2           H5         C   2   3.988   9.724  -4.618
   23    H6     C   2           H6         C   2   6.295  10.020  -5.277
   24   1H5*    A   3          1H5*        A   3  11.822   6.957  -2.771
   25   2H5*    A   3          2H5*        A   3  11.892   5.201  -2.531
   26    H4*    A   3           H4*        A   3  11.808   6.551  -0.392
   27    H3*    A   3           H3*        A   3   9.609   4.570  -0.995
   28    H2*    A   3           H2*        A   3   8.706   5.052   1.175
   29   2HO*    A   3          2HO*        A   3  10.494   5.159   2.449
   30    H1*    A   3           H1*        A   3   9.059   7.770   0.998
   31    H8     A   3           H8         A   3   7.817   6.422  -2.365
   32   1H6     A   3          1H6         A   3   2.165   7.227   0.151
   33   2H6     A   3          2H6         A   3   3.016   6.851  -1.344
   34    H2     A   3           H2         A   3   5.140   7.541   3.378
   35   1H5*    G   4          1H5*        G   4  11.564   3.584   3.017
   36   2H5*    G   4          2H5*        G   4  11.399   1.836   3.262
   37    H4*    G   4           H4*        G   4  10.409   3.205   5.097
   38    H3*    G   4           H3*        G   4   8.420   1.551   3.508
   39    H2*    G   4           H2*        G   4   6.870   2.150   5.250
   40   2HO*    G   4          2HO*        G   4   8.705   1.941   6.868
   41    H1*    G   4           H1*        G   4   7.827   4.767   5.449
   42    H8     G   4           H8         G   4   5.251   4.995   5.381
   43    H1     G   4           H1         G   4   4.892   2.953  -0.700
   44   1H2     G   4          1H2         G   4   8.308   2.272  -0.330
   45   2H2     G   4          2H2         G   4   6.919   2.251  -1.395
   46   1H5*    G   5          1H5*        G   5   7.647   0.471   7.560
   47   2H5*    G   5          2H5*        G   5   7.227  -1.243   7.638
   48    H4*    G   5           H4*        G   5   5.469   0.362   8.493
   49    H3*    G   5           H3*        G   5   4.795  -1.569   6.269
   50    H2*    G   5           H2*        G   5   2.499  -0.815   6.507
   51   2HO*    G   5          2HO*        G   5   2.883  -0.605   8.916
   52    H1*    G   5           H1*        G   5   3.114   1.824   6.657
   53    H8     G   5           H8         G   5   5.522   0.674   4.035
   54    H1     G   5           H1         G   5  -0.572   1.049   1.964
   55   1H2     G   5          1H2         G   5  -1.319   1.084   5.369
   56   2H2     G   5          2H2         G   5  -1.963   1.072   3.729
   57   1H5*    C   6          1H5*        C   6   1.661  -1.965   9.236
   58   2H5*    C   6          2H5*        C   6   1.324  -3.683   9.479
   59    H4*    C   6           H4*        C   6  -0.695  -2.366   8.824
   60    H3*    C   6           H3*        C   6   0.290  -4.573   7.020
   61    H2*    C   6           H2*        C   6  -1.592  -4.231   5.632
   62   2HO*    C   6          2HO*        C   6  -3.125  -4.077   7.320
   63    H1*    C   6           H1*        C   6  -1.662  -1.463   5.880
   64   1H4     C   6          1H4         C   6   2.455  -2.508   0.838
   65   2H4     C   6          2H4         C   6   0.850  -2.272   0.163
   66    H5     C   6           H5         C   6   2.844  -2.650   3.268
   67    H6     C   6           H6         C   6   1.783  -2.542   5.431
   68   1H5*    G   7          1H5*        G   7  -3.788  -7.899   6.926
   69   2H5*    G   7          2H5*        G   7  -2.480  -7.353   5.863
   70    H4*    G   7           H4*        G   7  -5.233  -6.057   6.074
   71    H3*    G   7           H3*        G   7  -3.962  -8.045   4.204
   72    H2*    G   7           H2*        G   7  -4.884  -6.971   2.276
   73   2HO*    G   7          2HO*        G   7  -6.943  -6.580   3.402
   74    H1*    G   7           H1*        G   7  -4.352  -4.415   3.039
   75    H8     G   7           H8         G   7  -1.368  -6.211   4.445
   76    H1     G   7           H1         G   7  -0.897  -4.927  -1.839
   77   1H2     G   7          1H2         G   7  -2.986  -4.468  -2.658
   78   2H2     G   7          2H2         G   7  -4.369  -4.450  -1.577
   79   1H5*    U   8          1H5*        U   8  -8.273  -8.237   3.270
   80   2H5*    U   8          2H5*        U   8  -8.723  -9.917   2.911
   81    H4*    U   8           H4*        U   8  -9.121  -8.404   0.991
   82    H3*    U   8           H3*        U   8  -6.897 -10.430   0.564
   83    H2*    U   8           H2*        U   8  -6.931  -9.675  -1.745
   84   2HO*    U   8          2HO*        U   8  -9.322  -9.378  -1.650
   85    H1*    U   8           H1*        U   8  -6.956  -7.048  -1.067
   86    H3     U   8           H3         U   8  -2.739  -7.663  -2.561
   87    H5     U   8           H5         U   8  -2.730  -9.520   1.209
   88    H6     U   8           H6         U   8  -5.103  -9.201   1.322
   89   1H5*    G   9          1H5*        G   9  -9.709 -10.875  -2.787
   90   2H5*    G   9          2H5*        G   9  -9.849 -12.606  -3.128
   91    H4*    G   9           H4*        G   9  -9.267 -11.339  -5.120
   92    H3*    G   9           H3*        G   9  -7.101 -13.207  -4.151
   93    H2*    G   9           H2*        G   9  -5.985 -12.679  -6.259
   94   2HO*    G   9          2HO*        G   9  -8.204 -12.544  -7.309
   95    H1*    G   9           H1*        G   9  -6.322 -10.048  -6.072
   96    H8     G   9           H8         G   9  -5.991 -11.230  -2.533
   97    H1     G   9           H1         G   9  -0.376 -10.650  -5.629
   98   1H2     G   9          1H2         G   9  -2.412 -10.581  -8.460
   99   2H2     G   9          2H2         G   9  -0.760 -10.631  -7.841
  100   1H5*    C  10          1H5*        C  10  -7.453 -14.132  -8.312
  101   2H5*    C  10          2H5*        C  10  -7.407 -15.894  -8.486
  102    H4*    C  10           H4*        C  10  -5.613 -14.815  -9.779
  103    H3*    C  10           H3*        C  10  -4.700 -16.472  -7.408
  104    H2*    C  10           H2*        C  10  -2.476 -16.157  -8.184
  105   2HO*    C  10          2HO*        C  10  -2.045 -15.217 -10.229
  106    H1*    C  10           H1*        C  10  -2.825 -13.475  -8.867
  107   1H4     C  10          1H4         C  10  -1.559 -13.963  -2.361
  108   2H4     C  10          2H4         C  10  -0.007 -13.875  -3.188
  109    H5     C  10           H5         C  10  -3.687 -14.131  -3.611
  110    H6     C  10           H6         C  10  -4.662 -14.104  -5.829
  111    H3T    C  10           H3T        C  10  -4.425 -17.060 -10.134
  112   1H5*    G   1          1H5*        G   1  10.622 -12.878  -4.253
  113   2H5*    G   1          2H5*        G   1  10.920 -11.262  -4.914
  114    H4*    G   1           H4*        G   1   9.921 -12.572  -6.650
  115    H3*    G   1           H3*        G   1   7.869 -10.703  -5.423
  116    H2*    G   1           H2*        G   1   6.427 -11.371  -7.220
  117   2HO*    G   1          2HO*        G   1   8.289 -11.485  -8.749
  118    H1*    G   1           H1*        G   1   6.930 -13.984  -6.948
  119    H8     G   1           H8         G   1   7.013 -12.519  -3.453
  120    H1     G   1           H1         G   1   1.106 -13.788  -5.669
  121   1H2     G   1          1H2         G   1   2.725 -13.957  -8.760
  122   2H2     G   1          2H2         G   1   1.186 -13.992  -7.901
  123    H5T    G   1           H5T        G   1   9.152 -10.489  -3.796
  124   1H5*    C   2          1H5*        C   2   7.705  -9.789  -9.552
  125   2H5*    C   2          2H5*        C   2   7.401  -8.056  -9.756
  126    H4*    C   2           H4*        C   2   5.650  -9.438 -10.797
  127    H3*    C   2           H3*        C   2   4.711  -7.838  -8.400
  128    H2*    C   2           H2*        C   2   2.483  -8.518  -9.121
  129   2HO*    C   2          2HO*        C   2   3.050  -8.394 -11.425
  130    H1*    C   2           H1*        C   2   3.171 -11.121  -9.427
  131   1H4     C   2          1H4         C   2   2.601  -9.902  -2.903
  132   2H4     C   2          2H4         C   2   0.985 -10.280  -3.482
  133    H5     C   2           H5         C   2   4.519  -9.671  -4.428
  134    H6     C   2           H6         C   2   5.217  -9.830  -6.733
  135   1H5*    A   3          1H5*        A   3   2.353  -6.836 -11.905
  136   2H5*    A   3          2H5*        A   3   1.895  -5.133 -11.960
  137    H4*    A   3           H4*        A   3  -0.054  -6.758 -12.061
  138    H3*    A   3           H3*        A   3   0.068  -4.740  -9.814
  139    H2*    A   3           H2*        A   3  -1.895  -5.675  -8.867
  140   2HO*    A   3          2HO*        A   3  -2.766  -5.935 -11.124
  141    H1*    A   3           H1*        A   3  -1.292  -8.297  -9.265
  142    H8     A   3           H8         A   3   1.981  -6.878  -8.059
  143   1H6     A   3          1H6         A   3  -0.423  -7.611  -2.385
  144   2H6     A   3          2H6         A   3   1.051  -7.323  -3.293
  145    H2     A   3           H2         A   3  -3.774  -7.564  -5.283
  146   1H5*    G   4          1H5*        G   4  -1.566  -0.580 -10.530
  147   2H5*    G   4          2H5*        G   4  -1.001  -1.177  -8.970
  148    H4*    G   4           H4*        G   4  -3.390  -2.127 -10.594
  149    H3*    G   4           H3*        G   4  -2.911  -1.005  -7.817
  150    H2*    G   4           H2*        G   4  -4.882  -2.145  -7.074
  151   2HO*    G   4          2HO*        G   4  -5.836  -1.748  -9.335
  152    H1*    G   4           H1*        G   4  -4.227  -4.513  -8.279
  153    H8     G   4           H8         G   4  -4.630  -4.037  -5.441
  154    H1     G   4           H1         G   4   1.793  -3.980  -5.088
  155   1H2     G   4          1H2         G   4   1.574  -3.660  -8.584
  156   2H2     G   4          2H2         G   4   2.663  -3.908  -7.243
  157   1H5*    G   5          1H5*        G   5  -6.734  -0.566  -7.532
  158   2H5*    G   5          2H5*        G   5  -7.175   1.073  -7.025
  159    H4*    G   5           H4*        G   5  -7.904  -0.680  -5.416
  160    H3*    G   5           H3*        G   5  -5.865   1.336  -4.440
  161    H2*    G   5           H2*        G   5  -6.163   0.348  -2.247
  162   2HO*    G   5          2HO*        G   5  -8.530   0.028  -2.773
  163    H1*    G   5           H1*        G   5  -6.102  -2.225  -3.122
  164    H8     G   5           H8         G   5  -3.468  -0.568  -5.227
  165    H1     G   5           H1         G   5  -1.604  -1.822   0.812
  166   1H2     G   5          1H2         G   5  -5.030  -2.061   1.416
  167   2H2     G   5          2H2         G   5  -3.412  -2.067   2.115
  168   1H5*    C   6          1H5*        C   6  -8.987   1.312  -1.470
  169   2H5*    C   6          2H5*        C   6  -9.292   2.969  -0.927
  170    H4*    C   6           H4*        C   6  -8.631   1.428   0.923
  171    H3*    C   6           H3*        C   6  -6.781   3.742   0.291
  172    H2*    C   6           H2*        C   6  -5.563   3.112   2.268
  173   2HO*    C   6          2HO*        C   6  -7.648   2.593   3.378
  174    H1*    C   6           H1*        C   6  -5.703   0.400   1.802
  175   1H4     C   6          1H4         C   6  -0.584   2.214  -1.917
  176   2H4     C   6          2H4         C   6   0.057   1.742  -0.352
  177    H5     C   6           H5         C   6  -3.001   2.378  -2.355
  178    H6     C   6           H6         C   6  -5.191   2.072  -1.393
  179   1H5*    G   7          1H5*        G   7  -7.678   4.144   4.543
  180   2H5*    G   7          2H5*        G   7  -7.709   5.867   4.959
  181    H4*    G   7           H4*        G   7  -5.944   4.603   6.178
  182    H3*    G   7           H3*        G   7  -4.959   6.695   4.224
  183    H2*    G   7           H2*        G   7  -2.726   6.255   5.160
  184   2HO*    G   7          2HO*        G   7  -3.292   5.917   7.323
  185    H1*    G   7           H1*        G   7  -3.001   3.565   4.947
  186    H8     G   7           H8         G   7  -4.847   5.239   2.000
  187    H1     G   7           H1         G   7   1.501   4.546   1.219
  188   1H2     G   7          1H2         G   7   2.440   4.107   3.257
  189   2H2     G   7          2H2         G   7   1.404   3.803   4.640
  190   1H5*    U   8          1H5*        U   8  -3.516   7.410   8.359
  191   2H5*    U   8          2H5*        U   8  -3.212   9.133   8.643
  192    H4*    U   8           H4*        U   8  -1.223   7.652   9.042
  193    H3*    U   8           H3*        U   8  -0.951   9.690   6.807
  194    H2*    U   8           H2*        U   8   1.411   9.072   6.870
  195   2HO*    U   8          2HO*        U   8   1.326   8.762   9.256
  196    H1*    U   8           H1*        U   8   0.854   6.409   6.877
  197    H3     U   8           H3         U   8   2.470   7.299   2.716
  198    H5     U   8           H5         U   8  -1.492   8.704   2.625
  199    H6     U   8           H6         U   8  -1.651   8.314   4.986
  200   1H5*    G   9          1H5*        G   9   2.311  10.267   9.672
  201   2H5*    G   9          2H5*        G   9   2.608  12.001   9.859
  202    H4*    G   9           H4*        G   9   4.644  10.768   9.272
  203    H3*    G   9           H3*        G   9   3.672  12.693   7.164
  204    H2*    G   9           H2*        G   9   5.819  12.277   6.086
  205   2HO*    G   9          2HO*        G   9   7.407  11.048   7.029
  206    H1*    G   9           H1*        G   9   5.634   9.624   6.278
  207    H8     G   9           H8         G   9   2.090  10.690   5.958
  208    H1     G   9           H1         G   9   5.282  10.494   0.370
  209   1H2     G   9          1H2         G   9   8.094  10.435   2.440
  210   2H2     G   9          2H2         G   9   7.485  10.492   0.786
  211   1H5*    C  10          1H5*        C  10   7.668  13.683   7.664
  212   2H5*    C  10          2H5*        C  10   7.862  15.439   7.782
  213    H4*    C  10           H4*        C  10   9.208  14.605   5.935
  214    H3*    C  10           H3*        C  10   6.735  16.119   5.018
  215    H2*    C  10           H2*        C  10   7.636  16.008   2.821
  216   2HO*    C  10          2HO*        C  10   9.874  16.314   3.738
  217    H1*    C  10           H1*        C  10   8.395  13.362   3.025
  218   1H4     C  10          1H4         C  10   1.853  13.660   1.827
  219   2H4     C  10          2H4         C  10   2.673  13.634   0.270
  220    H5     C  10           H5         C  10   3.111  13.801   3.951
  221    H6     C  10           H6         C  10   5.320  13.792   4.912
  222    H3T    C  10           H3T        C  10   8.208  17.349   6.225
  Start of MODEL   22
    1   1H5*    G   1          1H5*        G   1   3.799  14.818 -10.013
    2   2H5*    G   1          2H5*        G   1   4.360  13.174 -10.370
    3    H4*    G   1           H4*        G   1   6.000  14.508  -9.055
    4    H3*    G   1           H3*        G   1   4.840  12.080  -7.651
    5    H2*    G   1           H2*        G   1   6.551  12.508  -5.978
    6   2HO*    G   1          2HO*        G   1   8.101  13.185  -7.691
    7    H1*    G   1           H1*        G   1   6.123  15.163  -5.899
    8    H8     G   1           H8         G   1   2.718  13.479  -6.202
    9    H1     G   1           H1         G   1   5.088  13.815  -0.228
   10   1H2     G   1          1H2         G   1   8.098  14.467  -1.885
   11   2H2     G   1          2H2         G   1   7.302  14.196  -0.334
   12    H5T    G   1           H5T        G   1   2.554  13.953  -8.323
   13   1H5*    C   2          1H5*        C   2   9.196  11.686  -7.455
   14   2H5*    C   2          2H5*        C   2   9.588   9.964  -7.547
   15    H4*    C   2           H4*        C   2  10.457  11.039  -5.490
   16    H3*    C   2           H3*        C   2   8.353   8.908  -5.096
   17    H2*    C   2           H2*        C   2   8.902   9.075  -2.724
   18   2HO*    C   2          2HO*        C   2  11.204   9.385  -3.161
   19    H1*    C   2           H1*        C   2   8.932  11.812  -2.718
   20   1H4     C   2          1H4         C   2   2.527  10.119  -2.498
   21   2H4     C   2          2H4         C   2   3.111  10.222  -0.840
   22    H5     C   2           H5         C   2   4.070  10.316  -4.425
   23    H6     C   2           H6         C   2   6.360  10.744  -5.057
   24   1H5*    A   3          1H5*        A   3  12.033   7.797  -2.968
   25   2H5*    A   3          2H5*        A   3  12.213   6.034  -2.941
   26    H4*    A   3           H4*        A   3  12.106   7.085  -0.656
   27    H3*    A   3           H3*        A   3   9.956   5.124  -1.461
   28    H2*    A   3           H2*        A   3   9.110   5.261   0.770
   29   2HO*    A   3          2HO*        A   3  11.090   5.246   1.866
   30    H1*    A   3           H1*        A   3   9.355   8.004   0.942
   31    H8     A   3           H8         A   3   8.102   7.005  -2.538
   32   1H6     A   3          1H6         A   3   2.467   7.396   0.077
   33   2H6     A   3          2H6         A   3   3.324   7.208  -1.450
   34    H2     A   3           H2         A   3   5.455   7.410   3.316
   35   1H5*    G   4          1H5*        G   4  10.651   1.256   2.138
   36   2H5*    G   4          2H5*        G   4   9.286   2.093   1.380
   37    H4*    G   4           H4*        G   4  10.594   2.870   4.025
   38    H3*    G   4           H3*        G   4   7.997   1.484   3.289
   39    H2*    G   4           H2*        G   4   7.011   2.478   5.241
   40   2HO*    G   4          2HO*        G   4   9.191   2.257   6.373
   41    H1*    G   4           H1*        G   4   8.029   4.969   4.742
   42    H8     G   4           H8         G   4   5.297   4.602   5.022
   43    H1     G   4           H1         G   4   4.963   3.500  -1.305
   44   1H2     G   4          1H2         G   4   8.440   3.028  -1.030
   45   2H2     G   4          2H2         G   4   7.062   3.092  -2.117
   46   1H5*    G   5          1H5*        G   5   7.541   0.922   7.132
   47   2H5*    G   5          2H5*        G   5   7.145  -0.765   7.497
   48    H4*    G   5           H4*        G   5   5.381   0.866   8.187
   49    H3*    G   5           H3*        G   5   4.675  -1.245   6.139
   50    H2*    G   5           H2*        G   5   2.389  -0.463   6.312
   51   2HO*    G   5          2HO*        G   5   2.784  -0.047   8.697
   52    H1*    G   5           H1*        G   5   3.013   2.178   6.234
   53    H8     G   5           H8         G   5   5.432   0.864   3.724
   54    H1     G   5           H1         G   5  -0.659   1.024   1.620
   55   1H2     G   5          1H2         G   5  -1.412   1.233   5.020
   56   2H2     G   5          2H2         G   5  -2.055   1.113   3.382
   57   1H5*    C   6          1H5*        C   6   1.501  -1.397   9.052
   58   2H5*    C   6          2H5*        C   6   1.187  -3.091   9.449
   59    H4*    C   6           H4*        C   6  -0.841  -1.889   8.636
   60    H3*    C   6           H3*        C   6   0.231  -4.219   7.048
   61    H2*    C   6           H2*        C   6  -1.610  -4.032   5.585
   62   2HO*    C   6          2HO*        C   6  -3.198  -3.790   7.213
   63    H1*    C   6           H1*        C   6  -1.768  -1.251   5.629
   64   1H4     C   6          1H4         C   6   2.437  -2.510   0.716
   65   2H4     C   6          2H4         C   6   0.833  -2.351   0.016
   66    H5     C   6           H5         C   6   2.800  -2.495   3.158
   67    H6     C   6           H6         C   6   1.709  -2.270   5.299
   68   1H5*    G   7          1H5*        G   7  -3.701  -7.647   7.053
   69   2H5*    G   7          2H5*        G   7  -2.384  -7.093   6.006
   70    H4*    G   7           H4*        G   7  -5.199  -5.919   6.044
   71    H3*    G   7           H3*        G   7  -3.783  -7.958   4.336
   72    H2*    G   7           H2*        G   7  -4.767  -7.062   2.337
   73   2HO*    G   7          2HO*        G   7  -6.856  -6.698   3.252
   74    H1*    G   7           H1*        G   7  -4.347  -4.446   2.945
   75    H8     G   7           H8         G   7  -1.316  -6.108   4.445
   76    H1     G   7           H1         G   7  -0.832  -5.039  -1.877
   77   1H2     G   7          1H2         G   7  -2.917  -4.613  -2.720
   78   2H2     G   7          2H2         G   7  -4.309  -4.587  -1.651
   79   1H5*    U   8          1H5*        U   8  -8.150  -8.312   3.486
   80   2H5*    U   8          2H5*        U   8  -8.561 -10.006   3.144
   81    H4*    U   8           H4*        U   8  -9.077  -8.475   1.246
   82    H3*    U   8           H3*        U   8  -6.878 -10.504   0.725
   83    H2*    U   8           H2*        U   8  -7.011  -9.747  -1.587
   84   2HO*    U   8          2HO*        U   8  -9.400  -9.440  -1.365
   85    H1*    U   8           H1*        U   8  -7.000  -7.121  -0.909
   86    H3     U   8           H3         U   8  -2.873  -7.743  -2.606
   87    H5     U   8           H5         U   8  -2.678  -9.591   1.174
   88    H6     U   8           H6         U   8  -5.042  -9.287   1.385
   89   1H5*    G   9          1H5*        G   9  -9.776 -10.926  -2.544
   90   2H5*    G   9          2H5*        G   9  -9.966 -12.657  -2.858
   91    H4*    G   9           H4*        G   9  -9.406 -11.437  -4.884
   92    H3*    G   9           H3*        G   9  -7.265 -13.341  -3.929
   93    H2*    G   9           H2*        G   9  -6.161 -12.869  -6.056
   94   2HO*    G   9          2HO*        G   9  -8.406 -12.689  -7.066
   95    H1*    G   9           H1*        G   9  -6.439 -10.227  -5.915
   96    H8     G   9           H8         G   9  -6.095 -11.325  -2.354
   97    H1     G   9           H1         G   9  -0.496 -10.884  -5.492
   98   1H2     G   9          1H2         G   9  -2.534 -10.903  -8.320
   99   2H2     G   9          2H2         G   9  -0.882 -10.934  -7.698
  100   1H5*    C  10          1H5*        C  10  -7.596 -14.306  -8.043
  101   2H5*    C  10          2H5*        C  10  -7.666 -16.069  -8.182
  102    H4*    C  10           H4*        C  10  -5.786 -15.224  -9.471
  103    H3*    C  10           H3*        C  10  -4.926 -16.652  -6.927
  104    H2*    C  10           H2*        C  10  -2.708 -16.540  -7.796
  105   2HO*    C  10          2HO*        C  10  -3.575 -16.928 -10.037
  106    H1*    C  10           H1*        C  10  -2.956 -13.917  -8.648
  107   1H4     C  10          1H4         C  10  -1.794 -14.060  -2.084
  108   2H4     C  10          2H4         C  10  -0.233 -14.019  -2.897
  109    H5     C  10           H5         C  10  -3.908 -14.251  -3.352
  110    H6     C  10           H6         C  10  -4.856 -14.306  -5.577
  111    H3T    C  10           H3T        C  10  -6.081 -17.952  -8.381
  112   1H5*    G   1          1H5*        G   1  10.520 -13.233  -3.969
  113   2H5*    G   1          2H5*        G   1  10.677 -11.554  -4.519
  114    H4*    G   1           H4*        G   1   9.758 -12.942  -6.297
  115    H3*    G   1           H3*        G   1   7.774 -10.984  -5.104
  116    H2*    G   1           H2*        G   1   6.305 -11.643  -6.909
  117   2HO*    G   1          2HO*        G   1   8.188 -11.839  -8.407
  118    H1*    G   1           H1*        G   1   6.719 -14.267  -6.618
  119    H8     G   1           H8         G   1   6.797 -12.744  -3.130
  120    H1     G   1           H1         G   1   0.905 -13.996  -5.396
  121   1H2     G   1          1H2         G   1   2.563 -14.283  -8.457
  122   2H2     G   1          2H2         G   1   1.013 -14.286  -7.618
  123    H5T    G   1           H5T        G   1   9.778 -11.557  -2.471
  124   1H5*    C   2          1H5*        C   2   7.629 -10.237  -9.350
  125   2H5*    C   2          2H5*        C   2   7.361  -8.506  -9.607
  126    H4*    C   2           H4*        C   2   5.585  -9.886 -10.609
  127    H3*    C   2           H3*        C   2   4.663  -8.198  -8.266
  128    H2*    C   2           H2*        C   2   2.424  -8.844  -9.010
  129   2HO*    C   2          2HO*        C   2   2.980  -8.804 -11.295
  130    H1*    C   2           H1*        C   2   3.064 -11.468  -9.204
  131   1H4     C   2          1H4         C   2   2.458  -9.987  -2.735
  132   2H4     C   2          2H4         C   2   0.849 -10.401  -3.312
  133    H5     C   2           H5         C   2   4.389  -9.823  -4.254
  134    H6     C   2           H6         C   2   5.105 -10.075  -6.541
  135   1H5*    A   3          1H5*        A   3   2.415  -7.211 -11.869
  136   2H5*    A   3          2H5*        A   3   1.983  -5.502 -11.955
  137    H4*    A   3           H4*        A   3   0.019  -7.106 -12.112
  138    H3*    A   3           H3*        A   3   0.072  -5.078  -9.867
  139    H2*    A   3           H2*        A   3  -1.960  -5.987  -9.031
  140   2HO*    A   3          2HO*        A   3  -2.707  -6.257 -11.328
  141    H1*    A   3           H1*        A   3  -1.341  -8.613  -9.366
  142    H8     A   3           H8         A   3   1.871  -7.193  -8.017
  143   1H6     A   3          1H6         A   3   0.665  -7.624  -3.227
  144   2H6     A   3          2H6         A   3  -0.875  -7.779  -2.472
  145    H2     A   3           H2         A   3  -4.031  -7.749  -5.534
  146   1H5*    G   4          1H5*        G   4  -1.433  -0.895 -10.648
  147   2H5*    G   4          2H5*        G   4  -0.904  -1.484  -9.072
  148    H4*    G   4           H4*        G   4  -3.273  -2.428 -10.730
  149    H3*    G   4           H3*        G   4  -2.837  -1.241  -7.974
  150    H2*    G   4           H2*        G   4  -4.817  -2.357  -7.222
  151   2HO*    G   4          2HO*        G   4  -5.742  -2.018  -9.508
  152    H1*    G   4           H1*        G   4  -4.163  -4.758  -8.352
  153    H8     G   4           H8         G   4  -4.577  -4.176  -5.525
  154    H1     G   4           H1         G   4   1.847  -4.262  -5.169
  155   1H2     G   4          1H2         G   4   1.629  -4.020  -8.672
  156   2H2     G   4          2H2         G   4   2.716  -4.273  -7.332
  157   1H5*    G   5          1H5*        G   5  -6.685  -0.791  -7.783
  158   2H5*    G   5          2H5*        G   5  -7.131   0.862  -7.324
  159    H4*    G   5           H4*        G   5  -7.902  -0.849  -5.689
  160    H3*    G   5           H3*        G   5  -5.878   1.186  -4.724
  161    H2*    G   5           H2*        G   5  -6.204   0.249  -2.517
  162   2HO*    G   5          2HO*        G   5  -8.565  -0.073  -3.062
  163    H1*    G   5           H1*        G   5  -6.141  -2.345  -3.322
  164    H8     G   5           H8         G   5  -3.480  -0.724  -5.431
  165    H1     G   5           H1         G   5  -1.674  -1.886   0.643
  166   1H2     G   5          1H2         G   5  -5.105  -2.124   1.219
  167   2H2     G   5          2H2         G   5  -3.492  -2.107   1.931
  168   1H5*    C   6          1H5*        C   6  -9.060   1.266  -1.814
  169   2H5*    C   6          2H5*        C   6  -9.347   2.936  -1.298
  170    H4*    C   6           H4*        C   6  -8.710   1.406   0.577
  171    H3*    C   6           H3*        C   6  -6.841   3.701  -0.068
  172    H2*    C   6           H2*        C   6  -5.621   3.069   1.903
  173   2HO*    C   6          2HO*        C   6  -7.712   2.566   3.020
  174    H1*    C   6           H1*        C   6  -5.777   0.358   1.456
  175   1H4     C   6          1H4         C   6  -0.660   2.150  -2.279
  176   2H4     C   6          2H4         C   6  -0.021   1.681  -0.711
  177    H5     C   6           H5         C   6  -3.080   2.319  -2.716
  178    H6     C   6           H6         C   6  -5.268   2.018  -1.749
  179   1H5*    G   7          1H5*        G   7  -7.650   4.113   4.194
  180   2H5*    G   7          2H5*        G   7  -7.643   5.835   4.615
  181    H4*    G   7           H4*        G   7  -5.867   4.525   5.779
  182    H3*    G   7           H3*        G   7  -4.898   6.635   3.839
  183    H2*    G   7           H2*        G   7  -2.645   6.148   4.727
  184   2HO*    G   7          2HO*        G   7  -2.756   5.641   6.790
  185    H1*    G   7           H1*        G   7  -2.960   3.477   4.432
  186    H8     G   7           H8         G   7  -4.897   5.164   1.567
  187    H1     G   7           H1         G   7   1.444   4.612   0.629
  188   1H2     G   7          1H2         G   7   2.436   4.113   2.618
  189   2H2     G   7          2H2         G   7   1.445   3.822   4.033
  190   1H5*    U   8          1H5*        U   8  -3.526   7.103   8.016
  191   2H5*    U   8          2H5*        U   8  -3.157   8.784   8.447
  192    H4*    U   8           H4*        U   8  -1.265   7.167   8.825
  193    H3*    U   8           H3*        U   8  -0.773   9.366   6.789
  194    H2*    U   8           H2*        U   8   1.551   8.613   6.912
  195   2HO*    U   8          2HO*        U   8   1.301   8.098   9.260
  196    H1*    U   8           H1*        U   8   0.855   5.996   6.640
  197    H3     U   8           H3         U   8   2.699   7.167   2.641
  198    H5     U   8           H5         U   8  -1.200   8.742   2.520
  199    H6     U   8           H6         U   8  -1.460   8.192   4.836
  200   1H5*    G   9          1H5*        G   9   2.374   9.559   9.770
  201   2H5*    G   9          2H5*        G   9   2.703  11.253  10.163
  202    H4*    G   9           H4*        G   9   4.730  10.059   9.511
  203    H3*    G   9           H3*        G   9   3.853  12.230   7.601
  204    H2*    G   9           H2*        G   9   6.002  11.858   6.495
  205   2HO*    G   9          2HO*        G   9   6.956  11.383   8.717
  206    H1*    G   9           H1*        G   9   5.791   9.211   6.424
  207    H8     G   9           H8         G   9   2.242  10.300   6.171
  208    H1     G   9           H1         G   9   5.452  10.680   0.612
  209   1H2     G   9          1H2         G   9   8.262  10.440   2.669
  210   2H2     G   9          2H2         G   9   7.650  10.670   1.029
  211   1H5*    C  10          1H5*        C  10   7.908  13.147   8.177
  212   2H5*    C  10          2H5*        C  10   8.076  14.894   8.428
  213    H4*    C  10           H4*        C  10   9.367  14.168   6.472
  214    H3*    C  10           H3*        C  10   6.940  15.879   5.851
  215    H2*    C  10           H2*        C  10   7.652  15.912   3.589
  216   2HO*    C  10          2HO*        C  10   9.710  15.107   2.971
  217    H1*    C  10           H1*        C  10   8.408  13.233   3.507
  218   1H4     C  10          1H4         C  10   1.862  13.601   2.518
  219   2H4     C  10          2H4         C  10   2.640  13.746   0.946
  220    H5     C  10           H5         C  10   3.174  13.565   4.616
  221    H6     C  10           H6         C  10   5.416  13.493   5.513
  222    H3T    C  10           H3T        C  10   9.643  16.567   5.600
  Start of MODEL   23
    1   1H5*    G   1          1H5*        G   1   5.182  12.049 -10.777
    2   2H5*    G   1          2H5*        G   1   5.924  10.444 -10.644
    3    H4*    G   1           H4*        G   1   7.265  12.243  -9.563
    4    H3*    G   1           H3*        G   1   6.168  10.108  -7.706
    5    H2*    G   1           H2*        G   1   7.621  11.131  -6.045
    6   2HO*    G   1          2HO*        G   1   9.304  11.553  -7.697
    7    H1*    G   1           H1*        G   1   6.927  13.650  -6.666
    8    H8     G   1           H8         G   1   3.809  11.440  -6.879
    9    H1     G   1           H1         G   1   5.248  13.568  -0.980
   10   1H2     G   1          1H2         G   1   8.333  14.333  -2.429
   11   2H2     G   1          2H2         G   1   7.378  14.272  -0.948
   12    H5T    G   1           H5T        G   1   3.814  11.487  -9.059
   13   1H5*    C   2          1H5*        C   2  10.515  10.242  -7.061
   14   2H5*    C   2          2H5*        C   2  11.050   8.620  -6.600
   15    H4*    C   2           H4*        C   2  11.566  10.359  -4.902
   16    H3*    C   2           H3*        C   2   9.650   8.177  -4.037
   17    H2*    C   2           H2*        C   2   9.908   9.135  -1.800
   18   2HO*    C   2          2HO*        C   2  12.220   9.618  -2.239
   19    H1*    C   2           H1*        C   2   9.604  11.705  -2.635
   20   1H4     C   2          1H4         C   2   3.533   8.998  -2.443
   21   2H4     C   2          2H4         C   2   3.862   9.646  -0.842
   22    H5     C   2           H5         C   2   5.251   8.976  -4.219
   23    H6     C   2           H6         C   2   7.513   9.615  -4.758
   24   1H5*    A   3          1H5*        A   3  12.931   8.294  -1.069
   25   2H5*    A   3          2H5*        A   3  13.208   6.629  -0.517
   26    H4*    A   3           H4*        A   3  12.529   8.226   1.313
   27    H3*    A   3           H3*        A   3  10.729   5.870   0.708
   28    H2*    A   3           H2*        A   3   9.477   6.475   2.657
   29   2HO*    A   3          2HO*        A   3  11.524   7.178   3.757
   30    H1*    A   3           H1*        A   3   9.358   9.118   1.990
   31    H8     A   3           H8         A   3   9.059   7.331  -1.325
   32   1H6     A   3          1H6         A   3   3.179   6.173   0.282
   33   2H6     A   3          2H6         A   3   4.290   6.286  -1.078
   34    H2     A   3           H2         A   3   5.316   7.483   3.897
   35   1H5*    G   4          1H5*        G   4  10.677   4.986   4.294
   36   2H5*    G   4          2H5*        G   4  10.980   3.274   4.638
   37    H4*    G   4           H4*        G   4   8.655   4.040   5.175
   38    H3*    G   4           H3*        G   4   8.860   1.953   2.986
   39    H2*    G   4           H2*        G   4   6.482   1.808   3.158
   40   2HO*    G   4          2HO*        G   4   6.276   1.916   5.444
   41    H1*    G   4           H1*        G   4   6.166   4.572   3.553
   42    H8     G   4           H8         G   4   4.379   3.339   1.952
   43    H1     G   4           H1         G   4   8.540   4.114  -2.913
   44   1H2     G   4          1H2         G   4  10.963   4.074  -0.418
   45   2H2     G   4          2H2         G   4  10.591   4.360  -2.116
   46   1H5*    G   5          1H5*        G   5   7.050   0.921   7.313
   47   2H5*    G   5          2H5*        G   5   6.888  -0.840   7.442
   48    H4*    G   5           H4*        G   5   4.910   0.473   8.271
   49    H3*    G   5           H3*        G   5   4.446  -1.469   5.994
   50    H2*    G   5           H2*        G   5   2.088  -0.967   6.271
   51   2HO*    G   5          2HO*        G   5   2.396  -0.770   8.666
   52    H1*    G   5           H1*        G   5   2.457   1.727   6.411
   53    H8     G   5           H8         G   5   4.896   0.516   3.791
   54    H1     G   5           H1         G   5  -1.228   1.053   1.858
   55   1H2     G   5          1H2         G   5  -1.868   1.055   5.294
   56   2H2     G   5          2H2         G   5  -2.571   1.014   3.678
   57   1H5*    C   6          1H5*        C   6   1.465  -2.266   9.090
   58   2H5*    C   6          2H5*        C   6   1.179  -4.008   9.186
   59    H4*    C   6           H4*        C   6  -0.880  -2.643   8.729
   60    H3*    C   6           H3*        C   6  -0.007  -4.709   6.698
   61    H2*    C   6           H2*        C   6  -2.078  -4.264   5.560
   62   2HO*    C   6          2HO*        C   6  -3.220  -4.070   7.662
   63    H1*    C   6           H1*        C   6  -1.987  -1.531   5.905
   64   1H4     C   6          1H4         C   6   1.742  -2.522   0.558
   65   2H4     C   6          2H4         C   6   0.100  -2.242  -0.001
   66    H5     C   6           H5         C   6   2.295  -2.744   2.950
   67    H6     C   6           H6         C   6   1.390  -2.692   5.184
   68   1H5*    G   7          1H5*        G   7  -4.177  -5.719   7.738
   69   2H5*    G   7          2H5*        G   7  -4.363  -7.479   7.626
   70    H4*    G   7           H4*        G   7  -5.829  -6.216   6.041
   71    H3*    G   7           H3*        G   7  -3.721  -8.011   4.823
   72    H2*    G   7           H2*        G   7  -4.789  -7.523   2.663
   73   2HO*    G   7          2HO*        G   7  -6.912  -7.380   3.010
   74    H1*    G   7           H1*        G   7  -4.866  -4.853   3.120
   75    H8     G   7           H8         G   7  -1.665  -6.335   4.703
   76    H1     G   7           H1         G   7  -1.294  -5.072  -1.595
   77   1H2     G   7          1H2         G   7  -3.406  -4.768  -2.403
   78   2H2     G   7          2H2         G   7  -4.762  -4.718  -1.293
   79   1H5*    U   8          1H5*        U   8  -7.899  -9.044   3.626
   80   2H5*    U   8          2H5*        U   8  -8.046 -10.755   3.179
   81    H4*    U   8           H4*        U   8  -8.771  -9.142   1.389
   82    H3*    U   8           H3*        U   8  -6.413 -10.938   0.734
   83    H2*    U   8           H2*        U   8  -6.704 -10.100  -1.543
   84   2HO*    U   8          2HO*        U   8  -9.094 -10.005  -1.248
   85    H1*    U   8           H1*        U   8  -6.873  -7.515  -0.729
   86    H3     U   8           H3         U   8  -2.785  -7.847  -2.680
   87    H5     U   8           H5         U   8  -2.290  -9.660   1.081
   88    H6     U   8           H6         U   8  -4.653  -9.507   1.432
   89   1H5*    G   9          1H5*        G   9  -9.470 -11.439  -2.377
   90   2H5*    G   9          2H5*        G   9  -9.560 -13.154  -2.800
   91    H4*    G   9           H4*        G   9  -9.236 -11.733  -4.762
   92    H3*    G   9           H3*        G   9  -6.961 -13.608  -4.112
   93    H2*    G   9           H2*        G   9  -6.017 -12.923  -6.257
   94   2HO*    G   9          2HO*        G   9  -8.334 -12.770  -7.102
   95    H1*    G   9           H1*        G   9  -6.392 -10.317  -5.898
   96    H8     G   9           H8         G   9  -5.768 -11.578  -2.444
   97    H1     G   9           H1         G   9  -0.412 -10.673  -5.891
   98   1H2     G   9          1H2         G   9  -2.630 -10.644  -8.588
   99   2H2     G   9          2H2         G   9  -0.945 -10.593  -8.066
  100   1H5*    C  10          1H5*        C  10  -7.536 -14.310  -8.235
  101   2H5*    C  10          2H5*        C  10  -7.548 -16.061  -8.497
  102    H4*    C  10           H4*        C  10  -5.768 -15.058  -9.815
  103    H3*    C  10           H3*        C  10  -4.727 -16.608  -7.413
  104    H2*    C  10           H2*        C  10  -2.557 -16.330  -8.357
  105   2HO*    C  10          2HO*        C  10  -3.503 -16.614 -10.583
  106    H1*    C  10           H1*        C  10  -2.959 -13.674  -9.025
  107   1H4     C  10          1H4         C  10  -1.509 -14.112  -2.539
  108   2H4     C  10          2H4         C  10   0.007 -13.918  -3.413
  109    H5     C  10           H5         C  10  -3.661 -14.386  -3.727
  110    H6     C  10           H6         C  10  -4.702 -14.375  -5.908
  111    H3T    C  10           H3T        C  10  -5.885 -17.860  -8.906
  112   1H5*    G   1          1H5*        G   1  10.583 -12.801  -4.812
  113   2H5*    G   1          2H5*        G   1  10.879 -11.207  -5.526
  114    H4*    G   1           H4*        G   1   9.804 -12.560  -7.189
  115    H3*    G   1           H3*        G   1   7.840 -10.599  -5.961
  116    H2*    G   1           H2*        G   1   6.310 -11.297  -7.666
  117   2HO*    G   1          2HO*        G   1   8.138 -11.506  -9.252
  118    H1*    G   1           H1*        G   1   6.788 -13.915  -7.352
  119    H8     G   1           H8         G   1   6.982 -12.409  -3.891
  120    H1     G   1           H1         G   1   1.013 -13.655  -5.955
  121   1H2     G   1          1H2         G   1   2.555 -13.791  -9.090
  122   2H2     G   1          2H2         G   1   1.038 -13.857  -8.193
  123    H5T    G   1           H5T        G   1   9.159 -10.382  -4.370
  124   1H5*    C   2          1H5*        C   2   7.445  -9.903 -10.090
  125   2H5*    C   2          2H5*        C   2   7.227  -8.169 -10.372
  126    H4*    C   2           H4*        C   2   5.327  -9.489 -11.226
  127    H3*    C   2           H3*        C   2   4.696  -7.679  -8.887
  128    H2*    C   2           H2*        C   2   2.374  -8.238  -9.325
  129   2HO*    C   2          2HO*        C   2   2.703  -8.230 -11.674
  130    H1*    C   2           H1*        C   2   2.856 -10.914  -9.667
  131   1H4     C   2          1H4         C   2   2.731  -9.836  -3.117
  132   2H4     C   2          2H4         C   2   1.079 -10.158  -3.631
  133    H5     C   2           H5         C   2   4.571  -9.600  -4.753
  134    H6     C   2           H6         C   2   5.131  -9.735  -7.100
  135   1H5*    A   3          1H5*        A   3   2.126  -6.640 -12.291
  136   2H5*    A   3          2H5*        A   3   1.752  -4.907 -12.280
  137    H4*    A   3           H4*        A   3  -0.273  -6.406 -12.144
  138    H3*    A   3           H3*        A   3   0.287  -4.529  -9.838
  139    H2*    A   3           H2*        A   3  -1.856  -5.212  -8.950
  140   2HO*    A   3          2HO*        A   3  -3.034  -5.304 -10.872
  141    H1*    A   3           H1*        A   3  -1.432  -7.882  -9.423
  142    H8     A   3           H8         A   3   1.871  -6.350  -8.274
  143   1H6     A   3          1H6         A   3  -0.259  -7.630  -2.560
  144   2H6     A   3          2H6         A   3   1.152  -7.103  -3.472
  145    H2     A   3           H2         A   3  -3.639  -7.970  -5.367
  146   1H5*    G   4          1H5*        G   4  -3.790  -3.677 -11.511
  147   2H5*    G   4          2H5*        G   4  -4.154  -1.959 -11.267
  148    H4*    G   4           H4*        G   4  -5.828  -3.484 -10.226
  149    H3*    G   4           H3*        G   4  -4.219  -1.842  -8.236
  150    H2*    G   4           H2*        G   4  -5.854  -2.617  -6.644
  151   2HO*    G   4          2HO*        G   4  -7.565  -2.405  -8.394
  152    H1*    G   4           H1*        G   4  -5.944  -5.191  -7.753
  153    H8     G   4           H8         G   4  -5.774  -5.463  -5.159
  154    H1     G   4           H1         G   4   0.264  -3.268  -5.032
  155   1H2     G   4          1H2         G   4  -0.309  -2.451  -8.391
  156   2H2     G   4          2H2         G   4   0.833  -2.468  -7.065
  157   1H5*    G   5          1H5*        G   5  -8.241  -1.031  -7.190
  158   2H5*    G   5          2H5*        G   5  -8.403   0.659  -6.701
  159    H4*    G   5           H4*        G   5  -9.074  -1.013  -4.953
  160    H3*    G   5           H3*        G   5  -6.811   0.890  -4.302
  161    H2*    G   5           H2*        G   5  -6.999   0.027  -2.033
  162   2HO*    G   5          2HO*        G   5  -9.408  -0.154  -2.324
  163    H1*    G   5           H1*        G   5  -7.147  -2.578  -2.801
  164    H8     G   5           H8         G   5  -4.635  -1.145  -5.199
  165    H1     G   5           H1         G   5  -2.302  -1.920   0.760
  166   1H2     G   5          1H2         G   5  -5.659  -2.265   1.626
  167   2H2     G   5          2H2         G   5  -3.996  -2.178   2.202
  168   1H5*    C   6          1H5*        C   6  -9.768   1.232  -1.177
  169   2H5*    C   6          2H5*        C   6  -9.931   2.911  -0.643
  170    H4*    C   6           H4*        C   6  -9.319   1.308   1.185
  171    H3*    C   6           H3*        C   6  -7.392   3.523   0.535
  172    H2*    C   6           H2*        C   6  -6.098   2.887   2.403
  173   2HO*    C   6          2HO*        C   6  -7.903   2.534   3.803
  174    H1*    C   6           H1*        C   6  -6.314   0.181   1.952
  175   1H4     C   6          1H4         C   6  -1.428   1.933  -2.085
  176   2H4     C   6          2H4         C   6  -0.703   1.597  -0.520
  177    H5     C   6           H5         C   6  -3.876   2.033  -2.400
  178    H6     C   6           H6         C   6  -5.999   1.739  -1.308
  179   1H5*    G   7          1H5*        G   7  -6.634   7.087   3.288
  180   2H5*    G   7          2H5*        G   7  -5.474   6.726   2.011
  181    H4*    G   7           H4*        G   7  -5.895   4.972   4.482
  182    H3*    G   7           H3*        G   7  -3.846   7.080   3.741
  183    H2*    G   7           H2*        G   7  -2.282   5.891   5.096
  184   2HO*    G   7          2HO*        G   7  -4.230   5.484   6.625
  185    H1*    G   7           H1*        G   7  -3.254   3.353   4.343
  186    H8     G   7           H8         G   7  -2.996   4.521   1.009
  187    H1     G   7           H1         G   7   2.893   4.383   3.594
  188   1H2     G   7          1H2         G   7   2.719   4.184   5.846
  189   2H2     G   7          2H2         G   7   1.133   4.058   6.599
  190   1H5*    U   8          1H5*        U   8  -3.244   7.150   7.741
  191   2H5*    U   8          2H5*        U   8  -3.139   8.819   8.337
  192    H4*    U   8           H4*        U   8  -1.036   7.644   8.719
  193    H3*    U   8           H3*        U   8  -0.822   9.714   6.498
  194    H2*    U   8           H2*        U   8   1.553   9.308   6.648
  195   2HO*    U   8          2HO*        U   8   1.444   9.023   9.023
  196    H1*    U   8           H1*        U   8   1.267   6.616   6.652
  197    H3     U   8           H3         U   8   2.820   7.518   2.471
  198    H5     U   8           H5         U   8  -1.240   8.610   2.332
  199    H6     U   8           H6         U   8  -1.379   8.262   4.698
  200   1H5*    G   9          1H5*        G   9   2.179  10.737   9.621
  201   2H5*    G   9          2H5*        G   9   2.178  12.504   9.770
  202    H4*    G   9           H4*        G   9   4.423  11.669   9.405
  203    H3*    G   9           H3*        G   9   3.323  13.230   7.060
  204    H2*    G   9           H2*        G   9   5.595  13.095   6.172
  205   2HO*    G   9          2HO*        G   9   6.425  13.243   8.483
  206    H1*    G   9           H1*        G   9   5.874  10.487   6.624
  207    H8     G   9           H8         G   9   2.215  10.998   5.929
  208    H1     G   9           H1         G   9   5.869  10.587   0.653
  209   1H2     G   9          1H2         G   9   8.454  11.324   2.881
  210   2H2     G   9          2H2         G   9   7.981  11.114   1.192
  211   1H5*    C  10          1H5*        C  10   7.126  14.982   7.659
  212   2H5*    C  10          2H5*        C  10   6.966  16.741   7.525
  213    H4*    C  10           H4*        C  10   8.571  15.876   5.883
  214    H3*    C  10           H3*        C  10   5.988  16.949   4.708
  215    H2*    C  10           H2*        C  10   6.978  16.680   2.563
  216   2HO*    C  10          2HO*        C  10   9.200  16.163   2.332
  217    H1*    C  10           H1*        C  10   8.158  14.220   3.136
  218   1H4     C  10          1H4         C  10   1.814  13.215   1.467
  219   2H4     C  10          2H4         C  10   2.753  13.193  -0.021
  220    H5     C  10           H5         C  10   2.832  13.819   3.638
  221    H6     C  10           H6         C  10   4.925  14.330   4.741
  222    H3T    C  10           H3T        C  10   8.550  18.075   4.564
  Start of MODEL   24
    1   1H5*    G   1          1H5*        G   1   4.046  15.716  -9.615
    2   2H5*    G   1          2H5*        G   1   4.488  14.071 -10.106
    3    H4*    G   1           H4*        G   1   6.247  15.199  -8.753
    4    H3*    G   1           H3*        G   1   4.972  12.749  -7.493
    5    H2*    G   1           H2*        G   1   6.758  12.944  -5.851
    6   2HO*    G   1          2HO*        G   1   8.300  13.650  -7.553
    7    H1*    G   1           H1*        G   1   6.493  15.602  -5.556
    8    H8     G   1           H8         G   1   2.987  14.133  -5.897
    9    H1     G   1           H1         G   1   5.481  13.950   0.033
   10   1H2     G   1          1H2         G   1   8.491  14.557  -1.641
   11   2H2     G   1          2H2         G   1   7.709  14.232  -0.094
   12    H5T    G   1           H5T        G   1   2.792  14.813  -7.955
   13   1H5*    C   2          1H5*        C   2   9.301  12.065  -7.493
   14   2H5*    C   2          2H5*        C   2   9.577  10.331  -7.708
   15    H4*    C   2           H4*        C   2  10.576  11.219  -5.618
   16    H3*    C   2           H3*        C   2   8.358   9.194  -5.286
   17    H2*    C   2           H2*        C   2   8.981   9.178  -2.930
   18   2HO*    C   2          2HO*        C   2  11.284   9.378  -3.416
   19    H1*    C   2           H1*        C   2   9.178  11.903  -2.754
   20   1H4     C   2          1H4         C   2   2.695  10.536  -2.435
   21   2H4     C   2          2H4         C   2   3.326  10.507  -0.792
   22    H5     C   2           H5         C   2   4.189  10.777  -4.391
   23    H6     C   2           H6         C   2   6.477  11.126  -5.070
   24   1H5*    A   3          1H5*        A   3  12.016   7.713  -3.323
   25   2H5*    A   3          2H5*        A   3  12.064   5.941  -3.395
   26    H4*    A   3           H4*        A   3  12.088   6.881  -1.056
   27    H3*    A   3           H3*        A   3   9.792   5.109  -1.892
   28    H2*    A   3           H2*        A   3   9.005   5.197   0.364
   29   2HO*    A   3          2HO*        A   3  11.007   5.006   1.407
   30    H1*    A   3           H1*        A   3   9.426   7.902   0.655
   31    H8     A   3           H8         A   3   8.054   7.164  -2.847
   32   1H6     A   3          1H6         A   3   2.494   7.608  -0.082
   33   2H6     A   3          2H6         A   3   3.310   7.483  -1.638
   34    H2     A   3           H2         A   3   5.550   7.329   3.078
   35   1H5*    G   4          1H5*        G   4  10.246   1.088   1.576
   36   2H5*    G   4          2H5*        G   4   8.937   2.025   0.833
   37    H4*    G   4           H4*        G   4  10.308   2.721   3.469
   38    H3*    G   4           H3*        G   4   7.667   1.395   2.794
   39    H2*    G   4           H2*        G   4   6.733   2.438   4.751
   40   2HO*    G   4          2HO*        G   4   8.935   2.189   5.843
   41    H1*    G   4           H1*        G   4   7.788   4.900   4.203
   42    H8     G   4           H8         G   4   5.036   4.471   4.524
   43    H1     G   4           H1         G   4   4.693   3.709  -1.851
   44   1H2     G   4          1H2         G   4   8.156   3.143  -1.596
   45   2H2     G   4          2H2         G   4   6.786   3.301  -2.684
   46   1H5*    G   5          1H5*        G   5   7.344   0.941   6.716
   47   2H5*    G   5          2H5*        G   5   6.938  -0.730   7.137
   48    H4*    G   5           H4*        G   5   5.245   0.951   7.889
   49    H3*    G   5           H3*        G   5   4.406  -1.204   5.944
   50    H2*    G   5           H2*        G   5   2.141  -0.387   6.192
   51   2HO*    G   5          2HO*        G   5   2.650   0.083   8.547
   52    H1*    G   5           H1*        G   5   2.784   2.243   6.024
   53    H8     G   5           H8         G   5   5.081   0.830   3.449
   54    H1     G   5           H1         G   5  -1.072   1.167   1.561
   55   1H2     G   5          1H2         G   5  -1.707   1.425   4.979
   56   2H2     G   5          2H2         G   5  -2.402   1.318   3.363
   57   1H5*    C   6          1H5*        C   6   1.380  -1.244   9.032
   58   2H5*    C   6          2H5*        C   6   1.075  -2.929   9.477
   59    H4*    C   6           H4*        C   6  -0.987  -1.752   8.742
   60    H3*    C   6           H3*        C   6   0.024  -4.072   7.092
   61    H2*    C   6           H2*        C   6  -1.899  -3.887   5.738
   62   2HO*    C   6          2HO*        C   6  -3.395  -3.656   7.451
   63    H1*    C   6           H1*        C   6  -2.055  -1.108   5.790
   64   1H4     C   6          1H4         C   6   1.919  -2.506   0.700
   65   2H4     C   6          2H4         C   6   0.302  -2.280   0.054
   66    H5     C   6           H5         C   6   2.380  -2.490   3.119
   67    H6     C   6           H6         C   6   1.389  -2.221   5.303
   68   1H5*    G   7          1H5*        G   7  -3.837  -7.573   7.261
   69   2H5*    G   7          2H5*        G   7  -2.576  -6.981   6.167
   70    H4*    G   7           H4*        G   7  -5.420  -5.896   6.337
   71    H3*    G   7           H3*        G   7  -3.977  -7.787   4.481
   72    H2*    G   7           H2*        G   7  -5.076  -6.821   2.557
   73   2HO*    G   7          2HO*        G   7  -7.082  -6.528   3.915
   74    H1*    G   7           H1*        G   7  -4.644  -4.241   3.274
   75    H8     G   7           H8         G   7  -1.547  -5.859   4.675
   76    H1     G   7           H1         G   7  -1.371  -5.039  -1.700
   77   1H2     G   7          1H2         G   7  -3.515  -4.693  -2.446
   78   2H2     G   7          2H2         G   7  -4.820  -4.489  -1.286
   79   1H5*    U   8          1H5*        U   8  -8.112  -8.054   3.320
   80   2H5*    U   8          2H5*        U   8  -8.536  -9.739   2.963
   81    H4*    U   8           H4*        U   8  -8.897  -8.230   1.030
   82    H3*    U   8           H3*        U   8  -6.689 -10.285   0.672
   83    H2*    U   8           H2*        U   8  -6.737  -9.602  -1.660
   84   2HO*    U   8          2HO*        U   8  -9.132  -9.265  -1.547
   85    H1*    U   8           H1*        U   8  -6.720  -6.955  -1.048
   86    H3     U   8           H3         U   8  -2.582  -7.903  -2.680
   87    H5     U   8           H5         U   8  -2.504  -9.332   1.275
   88    H6     U   8           H6         U   8  -4.861  -8.911   1.433
   89   1H5*    G   9          1H5*        G   9  -9.492 -10.756  -2.647
   90   2H5*    G   9          2H5*        G   9  -9.701 -12.486  -2.950
   91    H4*    G   9           H4*        G   9  -9.072 -11.274  -4.970
   92    H3*    G   9           H3*        G   9  -7.009 -13.235  -3.960
   93    H2*    G   9           H2*        G   9  -5.864 -12.825  -6.074
   94   2HO*    G   9          2HO*        G   9  -8.080 -12.566  -7.127
   95    H1*    G   9           H1*        G   9  -6.043 -10.165  -5.939
   96    H8     G   9           H8         G   9  -5.811 -11.209  -2.366
   97    H1     G   9           H1         G   9  -0.148 -11.112  -5.427
   98   1H2     G   9          1H2         G   9  -2.150 -11.018  -8.284
   99   2H2     G   9          2H2         G   9  -0.509 -11.069  -7.643
  100   1H5*    C  10          1H5*        C  10  -7.399 -14.179  -8.110
  101   2H5*    C  10          2H5*        C  10  -7.590 -15.934  -8.235
  102    H4*    C  10           H4*        C  10  -5.726 -15.227  -9.611
  103    H3*    C  10           H3*        C  10  -4.824 -16.675  -7.093
  104    H2*    C  10           H2*        C  10  -2.669 -16.741  -8.107
  105   2HO*    C  10          2HO*        C  10  -3.708 -17.113 -10.276
  106    H1*    C  10           H1*        C  10  -2.797 -14.122  -9.014
  107   1H4     C  10          1H4         C  10   0.385 -14.614  -3.542
  108   2H4     C  10          2H4         C  10  -0.921 -14.059  -2.612
  109    H5     C  10           H5         C  10  -3.332 -14.238  -3.656
  110    H6     C  10           H6         C  10  -4.458 -14.234  -5.809
  111    H3T    C  10           H3T        C  10  -6.165 -17.915  -8.437
  112   1H5*    G   1          1H5*        G   1  10.555 -13.158  -3.374
  113   2H5*    G   1          2H5*        G   1  10.972 -11.620  -4.144
  114    H4*    G   1           H4*        G   1   9.971 -13.020  -5.813
  115    H3*    G   1           H3*        G   1   8.005 -10.918  -4.848
  116    H2*    G   1           H2*        G   1   6.582 -11.654  -6.631
  117   2HO*    G   1          2HO*        G   1   8.503 -12.015  -8.060
  118    H1*    G   1           H1*        G   1   6.924 -14.265  -6.145
  119    H8     G   1           H8         G   1   6.911 -12.552  -2.766
  120    H1     G   1           H1         G   1   1.090 -13.851  -5.202
  121   1H2     G   1          1H2         G   1   2.844 -14.272  -8.160
  122   2H2     G   1          2H2         G   1   1.268 -14.304  -7.383
  123    H5T    G   1           H5T        G   1   9.207 -10.666  -3.171
  124   1H5*    C   2          1H5*        C   2   8.015 -10.429  -9.051
  125   2H5*    C   2          2H5*        C   2   7.862  -8.708  -9.438
  126    H4*    C   2           H4*        C   2   6.015 -10.047 -10.388
  127    H3*    C   2           H3*        C   2   5.219  -8.091  -8.223
  128    H2*    C   2           H2*        C   2   2.934  -8.642  -8.828
  129   2HO*    C   2          2HO*        C   2   3.451  -8.773 -11.132
  130    H1*    C   2           H1*        C   2   3.395 -11.342  -8.981
  131   1H4     C   2          1H4         C   2   2.709  -9.955  -2.528
  132   2H4     C   2          2H4         C   2   1.113 -10.344  -3.154
  133    H5     C   2           H5         C   2   4.675  -9.762  -4.008
  134    H6     C   2           H6         C   2   5.443 -10.010  -6.281
  135   1H5*    A   3          1H5*        A   3   2.962  -7.200 -11.910
  136   2H5*    A   3          2H5*        A   3   2.609  -5.464 -12.005
  137    H4*    A   3           H4*        A   3   0.563  -6.937 -11.976
  138    H3*    A   3           H3*        A   3   0.940  -4.970  -9.708
  139    H2*    A   3           H2*        A   3  -1.279  -5.612  -8.977
  140   2HO*    A   3          2HO*        A   3  -2.150  -5.796 -11.130
  141    H1*    A   3           H1*        A   3  -0.828  -8.294  -9.278
  142    H8     A   3           H8         A   3   2.385  -6.662  -7.968
  143   1H6     A   3          1H6         A   3  -0.145  -7.689  -2.366
  144   2H6     A   3          2H6         A   3   1.314  -7.165  -3.196
  145    H2     A   3           H2         A   3  -3.293  -8.255  -5.400
  146   1H5*    G   4          1H5*        G   4  -3.023  -4.218 -11.540
  147   2H5*    G   4          2H5*        G   4  -3.413  -2.496 -11.390
  148    H4*    G   4           H4*        G   4  -5.081  -4.006 -10.309
  149    H3*    G   4           H3*        G   4  -3.567  -2.207  -8.384
  150    H2*    G   4           H2*        G   4  -5.231  -2.924  -6.789
  151   2HO*    G   4          2HO*        G   4  -6.893  -2.870  -8.600
  152    H1*    G   4           H1*        G   4  -5.223  -5.564  -7.735
  153    H8     G   4           H8         G   4  -5.139  -5.603  -5.110
  154    H1     G   4           H1         G   4   0.908  -3.434  -5.013
  155   1H2     G   4          1H2         G   4   0.417  -2.871  -8.438
  156   2H2     G   4          2H2         G   4   1.532  -2.802  -7.090
  157   1H5*    G   5          1H5*        G   5  -7.666  -1.450  -7.558
  158   2H5*    G   5          2H5*        G   5  -7.905   0.263  -7.197
  159    H4*    G   5           H4*        G   5  -8.607  -1.330  -5.372
  160    H3*    G   5           H3*        G   5  -6.498   0.755  -4.766
  161    H2*    G   5           H2*        G   5  -6.715   0.052  -2.449
  162   2HO*    G   5          2HO*        G   5  -9.105  -0.296  -2.834
  163    H1*    G   5           H1*        G   5  -6.724  -2.611  -3.011
  164    H8     G   5           H8         G   5  -4.136  -1.331  -5.394
  165    H1     G   5           H1         G   5  -2.099  -1.704   0.710
  166   1H2     G   5          1H2         G   5  -5.503  -1.887   1.436
  167   2H2     G   5          2H2         G   5  -3.866  -1.825   2.085
  168   1H5*    C   6          1H5*        C   6  -9.532   1.104  -1.701
  169   2H5*    C   6          2H5*        C   6  -9.835   2.815  -1.365
  170    H4*    C   6           H4*        C   6  -9.136   1.529   0.659
  171    H3*    C   6           H3*        C   6  -7.323   3.740  -0.321
  172    H2*    C   6           H2*        C   6  -6.011   3.409   1.625
  173   2HO*    C   6          2HO*        C   6  -7.744   3.210   3.097
  174    H1*    C   6           H1*        C   6  -6.199   0.643   1.622
  175   1H4     C   6          1H4         C   6  -1.150   2.020  -2.413
  176   2H4     C   6          2H4         C   6  -0.474   1.743  -0.817
  177    H5     C   6           H5         C   6  -3.576   2.074  -2.821
  178    H6     C   6           H6         C   6  -5.742   1.846  -1.787
  179   1H5*    G   7          1H5*        G   7  -7.326   7.082   3.830
  180   2H5*    G   7          2H5*        G   7  -6.246   6.632   2.501
  181    H4*    G   7           H4*        G   7  -6.417   5.264   5.219
  182    H3*    G   7           H3*        G   7  -4.498   7.171   3.893
  183    H2*    G   7           H2*        G   7  -2.581   5.991   4.795
  184   2HO*    G   7          2HO*        G   7  -3.872   5.535   6.816
  185    H1*    G   7           H1*        G   7  -3.444   3.530   4.092
  186    H8     G   7           H8         G   7  -5.035   5.383   1.268
  187    H1     G   7           H1         G   7   1.323   4.683   0.590
  188   1H2     G   7          1H2         G   7   2.218   4.123   2.630
  189   2H2     G   7          2H2         G   7   1.148   3.834   3.992
  190   1H5*    U   8          1H5*        U   8  -3.218   6.840   7.961
  191   2H5*    U   8          2H5*        U   8  -2.750   8.415   8.624
  192    H4*    U   8           H4*        U   8  -0.922   6.730   8.713
  193    H3*    U   8           H3*        U   8  -0.428   9.091   6.865
  194    H2*    U   8           H2*        U   8   1.860   8.261   6.822
  195   2HO*    U   8          2HO*        U   8   1.689   7.546   9.129
  196    H1*    U   8           H1*        U   8   1.067   5.701   6.357
  197    H3     U   8           H3         U   8   2.811   7.235   2.427
  198    H5     U   8           H5         U   8  -1.082   8.824   2.579
  199    H6     U   8           H6         U   8  -1.262   8.069   4.848
  200   1H5*    G   9          1H5*        G   9   2.833   8.921   9.727
  201   2H5*    G   9          2H5*        G   9   3.224  10.564  10.259
  202    H4*    G   9           H4*        G   9   5.194   9.380   9.437
  203    H3*    G   9           H3*        G   9   4.323  11.734   7.754
  204    H2*    G   9           H2*        G   9   6.429  11.406   6.554
  205   2HO*    G   9          2HO*        G   9   7.431  10.709   8.696
  206    H1*    G   9           H1*        G   9   6.138   8.783   6.256
  207    H8     G   9           H8         G   9   2.615   9.976   6.211
  208    H1     G   9           H1         G   9   5.682  10.771   0.613
  209   1H2     G   9          1H2         G   9   8.536  10.258   2.556
  210   2H2     G   9          2H2         G   9   7.892  10.642   0.958
  211   1H5*    C  10          1H5*        C  10   8.428  12.475   8.293
  212   2H5*    C  10          2H5*        C  10   8.659  14.187   8.689
  213    H4*    C  10           H4*        C  10   9.885  13.589   6.649
  214    H3*    C  10           H3*        C  10   7.510  15.431   6.235
  215    H2*    C  10           H2*        C  10   8.182  15.642   3.970
  216   2HO*    C  10          2HO*        C  10  10.198  14.824   3.241
  217    H1*    C  10           H1*        C  10   8.839  12.955   3.637
  218   1H4     C  10          1H4         C  10   2.295  13.646   2.822
  219   2H4     C  10          2H4         C  10   3.048  13.901   1.252
  220    H5     C  10           H5         C  10   3.641  13.371   4.879
  221    H6     C  10           H6         C  10   5.895  13.138   5.719
  222    H3T    C  10           H3T        C  10  10.232  16.045   5.990
  Start of MODEL   25
    1   1H5*    G   1          1H5*        G   1   3.908  12.985 -10.366
    2   2H5*    G   1          2H5*        G   1   4.683  11.430 -10.707
    3    H4*    G   1           H4*        G   1   6.325  12.825  -9.673
    4    H3*    G   1           H3*        G   1   5.225  10.833  -7.664
    5    H2*    G   1           H2*        G   1   6.969  11.589  -6.203
    6   2HO*    G   1          2HO*        G   1   8.489  11.835  -8.060
    7    H1*    G   1           H1*        G   1   6.527  14.189  -6.650
    8    H8     G   1           H8         G   1   3.137  12.499  -6.783
    9    H1     G   1           H1         G   1   5.239  13.774  -0.834
   10   1H2     G   1          1H2         G   1   8.317  14.199  -2.426
   11   2H2     G   1          2H2         G   1   7.447  14.147  -0.894
   12    H5T    G   1           H5T        G   1   3.625  10.529  -8.965
   13   1H5*    C   2          1H5*        C   2   9.373  10.118  -7.451
   14   2H5*    C   2          2H5*        C   2   9.641   8.390  -7.178
   15    H4*    C   2           H4*        C   2  10.562   9.767  -5.362
   16    H3*    C   2           H3*        C   2   8.202   8.052  -4.551
   17    H2*    C   2           H2*        C   2   8.791   8.712  -2.278
   18   2HO*    C   2          2HO*        C   2  11.110   8.704  -2.691
   19    H1*    C   2           H1*        C   2   9.000  11.340  -2.890
   20   1H4     C   2          1H4         C   2   2.549   9.650  -2.648
   21   2H4     C   2          2H4         C   2   3.039  10.031  -1.000
   22    H5     C   2           H5         C   2   4.165   9.607  -4.510
   23    H6     C   2           H6         C   2   6.478   9.967  -5.101
   24   1H5*    A   3          1H5*        A   3  11.703   7.169  -2.120
   25   2H5*    A   3          2H5*        A   3  11.812   5.468  -1.669
   26    H4*    A   3           H4*        A   3  11.825   7.110   0.281
   27    H3*    A   3           H3*        A   3   9.724   4.947   0.126
   28    H2*    A   3           H2*        A   3   8.669   5.793   2.062
   29   2HO*    A   3          2HO*        A   3  10.889   6.184   2.988
   30    H1*    A   3           H1*        A   3   8.930   8.460   1.513
   31    H8     A   3           H8         A   3   7.828   7.000  -1.780
   32   1H6     A   3          1H6         A   3   2.106   7.340   0.594
   33   2H6     A   3          2H6         A   3   3.038   7.124  -0.882
   34    H2     A   3           H2         A   3   4.974   7.506   3.957
   35   1H5*    G   4          1H5*        G   4  10.695   0.831   1.626
   36   2H5*    G   4          2H5*        G   4   9.111   1.360   1.058
   37    H4*    G   4           H4*        G   4  10.641   2.303   3.511
   38    H3*    G   4           H3*        G   4   7.955   1.020   2.943
   39    H2*    G   4           H2*        G   4   7.106   2.020   4.940
   40   2HO*    G   4          2HO*        G   4   9.375   1.718   5.920
   41    H1*    G   4           H1*        G   4   8.188   4.489   4.438
   42    H8     G   4           H8         G   4   5.394   3.892   4.808
   43    H1     G   4           H1         G   4   5.009   3.936  -1.613
   44   1H2     G   4          1H2         G   4   8.518   3.826  -1.419
   45   2H2     G   4          2H2         G   4   7.156   4.005  -2.494
   46   1H5*    G   5          1H5*        G   5   7.714   0.368   6.790
   47   2H5*    G   5          2H5*        G   5   7.312  -1.326   7.123
   48    H4*    G   5           H4*        G   5   5.605   0.268   7.974
   49    H3*    G   5           H3*        G   5   4.759  -1.680   5.819
   50    H2*    G   5           H2*        G   5   2.506  -0.860   6.142
   51   2HO*    G   5          2HO*        G   5   2.982  -0.638   8.528
   52    H1*    G   5           H1*        G   5   3.189   1.763   6.227
   53    H8     G   5           H8         G   5   5.451   0.418   3.544
   54    H1     G   5           H1         G   5  -0.665   1.215   1.676
   55   1H2     G   5          1H2         G   5  -1.295   1.306   5.105
   56   2H2     G   5          2H2         G   5  -1.990   1.323   3.486
   57   1H5*    C   6          1H5*        C   6   1.773  -2.007   8.952
   58   2H5*    C   6          2H5*        C   6   1.349  -3.712   9.154
   59    H4*    C   6           H4*        C   6  -0.603  -2.249   8.607
   60    H3*    C   6           H3*        C   6   0.145  -4.449   6.669
   61    H2*    C   6           H2*        C   6  -1.868  -3.907   5.477
   62   2HO*    C   6          2HO*        C   6  -3.021  -3.551   7.558
   63    H1*    C   6           H1*        C   6  -1.600  -1.177   5.716
   64   1H4     C   6          1H4         C   6   2.170  -2.550   0.496
   65   2H4     C   6          2H4         C   6   0.563  -2.175  -0.108
   66    H5     C   6           H5         C   6   2.654  -2.751   2.903
   67    H6     C   6           H6         C   6   1.703  -2.578   5.114
   68   1H5*    G   7          1H5*        G   7  -4.103  -5.139   7.638
   69   2H5*    G   7          2H5*        G   7  -4.396  -6.886   7.583
   70    H4*    G   7           H4*        G   7  -5.736  -5.601   5.912
   71    H3*    G   7           H3*        G   7  -3.703  -7.552   4.814
   72    H2*    G   7           H2*        G   7  -4.682  -7.077   2.610
   73   2HO*    G   7          2HO*        G   7  -6.799  -6.796   2.881
   74    H1*    G   7           H1*        G   7  -4.612  -4.394   2.980
   75    H8     G   7           H8         G   7  -1.559  -6.041   4.697
   76    H1     G   7           H1         G   7  -0.925  -4.949  -1.613
   77   1H2     G   7          1H2         G   7  -2.985  -4.525  -2.489
   78   2H2     G   7          2H2         G   7  -4.364  -4.350  -1.421
   79   1H5*    U   8          1H5*        U   8  -7.894  -8.385   3.520
   80   2H5*    U   8          2H5*        U   8  -8.124 -10.098   3.119
   81    H4*    U   8           H4*        U   8  -8.704  -8.506   1.261
   82    H3*    U   8           H3*        U   8  -6.430 -10.446   0.732
   83    H2*    U   8           H2*        U   8  -6.608  -9.666  -1.576
   84   2HO*    U   8          2HO*        U   8  -8.996  -9.434  -1.361
   85    H1*    U   8           H1*        U   8  -6.661  -7.051  -0.845
   86    H3     U   8           H3         U   8  -2.544  -7.658  -2.663
   87    H5     U   8           H5         U   8  -2.253  -9.388   1.158
   88    H6     U   8           H6         U   8  -4.612  -9.092   1.438
   89   1H5*    G   9          1H5*        G   9  -9.422 -10.880  -2.456
   90   2H5*    G   9          2H5*        G   9  -9.594 -12.603  -2.822
   91    H4*    G   9           H4*        G   9  -9.143 -11.279  -4.824
   92    H3*    G   9           H3*        G   9  -6.980 -13.233  -4.038
   93    H2*    G   9           H2*        G   9  -5.951 -12.678  -6.183
   94   2HO*    G   9          2HO*        G   9  -8.224 -12.456  -7.105
   95    H1*    G   9           H1*        G   9  -6.203 -10.048  -5.929
   96    H8     G   9           H8         G   9  -5.735 -11.216  -2.416
   97    H1     G   9           H1         G   9  -0.250 -10.709  -5.740
   98   1H2     G   9          1H2         G   9  -2.392 -10.643  -8.497
   99   2H2     G   9          2H2         G   9  -0.720 -10.667  -7.930
  100   1H5*    C  10          1H5*        C  10  -7.526 -14.089  -8.160
  101   2H5*    C  10          2H5*        C  10  -7.577 -15.852  -8.345
  102    H4*    C  10           H4*        C  10  -5.751 -14.918  -9.671
  103    H3*    C  10           H3*        C  10  -4.840 -16.481  -7.233
  104    H2*    C  10           H2*        C  10  -2.621 -16.294  -8.104
  105   2HO*    C  10          2HO*        C  10  -3.612 -16.503 -10.385
  106    H1*    C  10           H1*        C  10  -2.895 -13.638  -8.833
  107   1H4     C  10          1H4         C  10  -1.622 -13.992  -2.308
  108   2H4     C  10          2H4         C  10  -0.078 -13.895  -3.147
  109    H5     C  10           H5         C  10  -3.757 -14.196  -3.545
  110    H6     C  10           H6         C  10  -4.741 -14.191  -5.752
  111    H3T    C  10           H3T        C  10  -4.790 -18.156  -8.656
  112   1H5*    G   1          1H5*        G   1  10.580 -13.450  -4.313
  113   2H5*    G   1          2H5*        G   1  10.986 -11.897  -5.060
  114    H4*    G   1           H4*        G   1   9.871 -13.231  -6.712
  115    H3*    G   1           H3*        G   1   8.000 -11.123  -5.586
  116    H2*    G   1           H2*        G   1   6.471 -11.777  -7.309
  117   2HO*    G   1          2HO*        G   1   8.318 -12.137  -8.844
  118    H1*    G   1           H1*        G   1   6.784 -14.409  -6.914
  119    H8     G   1           H8         G   1   6.986 -12.820  -3.491
  120    H1     G   1           H1         G   1   1.003 -13.763  -5.673
  121   1H2     G   1          1H2         G   1   2.610 -14.083  -8.762
  122   2H2     G   1          2H2         G   1   1.070 -14.030  -7.904
  123    H5T    G   1           H5T        G   1   9.291 -10.942  -3.968
  124   1H5*    C   2          1H5*        C   2   7.746 -10.521  -9.742
  125   2H5*    C   2          2H5*        C   2   7.636  -8.786 -10.075
  126    H4*    C   2           H4*        C   2   5.683 -10.018 -10.942
  127    H3*    C   2           H3*        C   2   5.103  -8.109  -8.670
  128    H2*    C   2           H2*        C   2   2.764  -8.544  -9.154
  129   2HO*    C   2          2HO*        C   2   3.148  -8.623 -11.492
  130    H1*    C   2           H1*        C   2   3.097 -11.253  -9.411
  131   1H4     C   2          1H4         C   2   2.863  -9.969  -2.900
  132   2H4     C   2          2H4         C   2   1.208 -10.209  -3.451
  133    H5     C   2           H5         C   2   4.757  -9.896  -4.490
  134    H6     C   2           H6         C   2   5.370 -10.135  -6.815
  135   1H5*    A   3          1H5*        A   3   2.680  -7.024 -12.168
  136   2H5*    A   3          2H5*        A   3   2.402  -5.274 -12.212
  137    H4*    A   3           H4*        A   3   0.295  -6.659 -12.088
  138    H3*    A   3           H3*        A   3   0.897  -4.744  -9.825
  139    H2*    A   3           H2*        A   3  -1.300  -5.286  -8.973
  140   2HO*    A   3          2HO*        A   3  -2.449  -5.377 -10.902
  141    H1*    A   3           H1*        A   3  -1.011  -7.987  -9.358
  142    H8     A   3           H8         A   3   2.342  -6.605  -8.165
  143   1H6     A   3          1H6         A   3  -0.007  -7.572  -2.474
  144   2H6     A   3          2H6         A   3   1.455  -7.152  -3.361
  145    H2     A   3           H2         A   3  -3.323  -7.823  -5.364
  146   1H5*    G   4          1H5*        G   4  -3.083  -3.739 -11.641
  147   2H5*    G   4          2H5*        G   4  -3.375  -2.000 -11.452
  148    H4*    G   4           H4*        G   4  -5.142  -3.432 -10.423
  149    H3*    G   4           H3*        G   4  -3.534  -1.785  -8.436
  150    H2*    G   4           H2*        G   4  -5.242  -2.450  -6.873
  151   2HO*    G   4          2HO*        G   4  -6.892  -2.234  -8.681
  152    H1*    G   4           H1*        G   4  -5.396  -5.053  -7.901
  153    H8     G   4           H8         G   4  -5.325  -5.223  -5.291
  154    H1     G   4           H1         G   4   0.804  -3.309  -5.052
  155   1H2     G   4          1H2         G   4   0.369  -2.587  -8.454
  156   2H2     G   4          2H2         G   4   1.470  -2.610  -7.093
  157   1H5*    G   5          1H5*        G   5  -7.544  -0.807  -7.522
  158   2H5*    G   5          2H5*        G   5  -7.664   0.900  -7.081
  159    H4*    G   5           H4*        G   5  -8.416  -0.724  -5.308
  160    H3*    G   5           H3*        G   5  -6.159   1.186  -4.663
  161    H2*    G   5           H2*        G   5  -6.376   0.386  -2.377
  162   2HO*    G   5          2HO*        G   5  -8.786   0.212  -2.707
  163    H1*    G   5           H1*        G   5  -6.556  -2.240  -3.063
  164    H8     G   5           H8         G   5  -3.959  -0.960  -5.450
  165    H1     G   5           H1         G   5  -1.802  -1.626   0.589
  166   1H2     G   5          1H2         G   5  -5.192  -1.811   1.373
  167   2H2     G   5          2H2         G   5  -3.544  -1.783   1.994
  168   1H5*    C   6          1H5*        C   6  -9.140   1.587  -1.548
  169   2H5*    C   6          2H5*        C   6  -9.302   3.283  -1.072
  170    H4*    C   6           H4*        C   6  -8.685   1.736   0.811
  171    H3*    C   6           H3*        C   6  -6.778   3.969   0.074
  172    H2*    C   6           H2*        C   6  -5.518   3.347   2.032
  173   2HO*    C   6          2HO*        C   6  -7.583   2.900   3.210
  174    H1*    C   6           H1*        C   6  -5.739   0.634   1.628
  175   1H4     C   6          1H4         C   6  -0.712   2.162  -2.321
  176   2H4     C   6          2H4         C   6  -0.035   1.805  -0.739
  177    H5     C   6           H5         C   6  -3.143   2.307  -2.702
  178    H6     C   6           H6         C   6  -5.303   2.091  -1.658
  179   1H5*    G   7          1H5*        G   7  -7.587   4.360   4.350
  180   2H5*    G   7          2H5*        G   7  -7.604   6.075   4.795
  181    H4*    G   7           H4*        G   7  -5.849   4.751   5.989
  182    H3*    G   7           H3*        G   7  -4.897   6.937   4.128
  183    H2*    G   7           H2*        G   7  -2.661   6.493   5.021
  184   2HO*    G   7          2HO*        G   7  -2.919   6.049   7.130
  185    H1*    G   7           H1*        G   7  -2.896   3.794   4.771
  186    H8     G   7           H8         G   7  -4.717   5.507   1.840
  187    H1     G   7           H1         G   7   1.582   4.520   0.948
  188   1H2     G   7          1H2         G   7   2.542   4.050   2.978
  189   2H2     G   7          2H2         G   7   1.535   3.921   4.408
  190   1H5*    U   8          1H5*        U   8  -3.728   7.575   8.473
  191   2H5*    U   8          2H5*        U   8  -3.426   9.292   8.817
  192    H4*    U   8           H4*        U   8  -1.483   7.773   9.323
  193    H3*    U   8           H3*        U   8  -1.021   9.853   7.158
  194    H2*    U   8           H2*        U   8   1.312   9.121   7.258
  195   2HO*    U   8          2HO*        U   8   1.024   8.722   9.664
  196    H1*    U   8           H1*        U   8   0.641   6.461   7.202
  197    H3     U   8           H3         U   8   2.252   7.130   3.018
  198    H5     U   8           H5         U   8  -1.523   8.976   2.952
  199    H6     U   8           H6         U   8  -1.676   8.661   5.314
  200   1H5*    G   9          1H5*        G   9   2.215  10.183   9.874
  201   2H5*    G   9          2H5*        G   9   2.543  11.868  10.318
  202    H4*    G   9           H4*        G   9   4.486  10.557   9.344
  203    H3*    G   9           H3*        G   9   3.669  13.259   8.691
  204    H2*    G   9           H2*        G   9   5.456  12.879   6.571
  205   2HO*    G   9          2HO*        G   9   2.612  12.880   6.777
  206    H1*    G   9           H1*        G   9   5.483  10.546   6.551
  207    H8     G   9           H8         G   9   1.815  10.620   5.969
  208    H1     G   9           H1         G   9   5.158  10.645   0.458
  209   1H2     G   9          1H2         G   9   7.889  10.872   2.620
  210   2H2     G   9          2H2         G   9   7.343  10.835   0.942
  211   1H5*    C  10          1H5*        C  10   7.987  12.814   7.440
  212   2H5*    C  10          2H5*        C  10   8.843  14.269   7.980
  213    H4*    C  10           H4*        C  10   9.398  14.102   5.716
  214    H3*    C  10           H3*        C  10   6.965  15.929   5.742
  215    H2*    C  10           H2*        C  10   7.514  16.333   3.465
  216   2HO*    C  10          2HO*        C  10   9.874  16.411   4.134
  217    H1*    C  10           H1*        C  10   8.394  13.663   3.046
  218   1H4     C  10          1H4         C  10   1.884  13.762   1.778
  219   2H4     C  10          2H4         C  10   2.742  13.680   0.243
  220    H5     C  10           H5         C  10   3.080  14.127   3.911
  221    H6     C  10           H6         C  10   5.304  14.260   4.929
  222    H3T    C  10           H3T        C  10   8.688  16.715   6.999
  Start of MODEL   26
    1   1H5*    G   1          1H5*        G   1   3.678  13.386 -10.244
    2   2H5*    G   1          2H5*        G   1   4.439  11.852 -10.696
    3    H4*    G   1           H4*        G   1   6.097  13.191  -9.598
    4    H3*    G   1           H3*        G   1   5.049  11.033  -7.738
    5    H2*    G   1           H2*        G   1   6.798  11.693  -6.237
    6   2HO*    G   1          2HO*        G   1   8.283  12.105  -8.112
    7    H1*    G   1           H1*        G   1   6.352  14.320  -6.490
    8    H8     G   1           H8         G   1   2.952  12.677  -6.660
    9    H1     G   1           H1         G   1   5.228  13.539  -0.701
   10   1H2     G   1          1H2         G   1   8.282  13.940  -2.355
   11   2H2     G   1          2H2         G   1   7.452  13.847  -0.801
   12    H5T    G   1           H5T        G   1   3.403  10.849  -8.995
   13   1H5*    C   2          1H5*        C   2   9.236  10.498  -7.592
   14   2H5*    C   2          2H5*        C   2   9.587   8.766  -7.518
   15    H4*    C   2           H4*        C   2  10.493   9.986  -5.572
   16    H3*    C   2           H3*        C   2   8.286   8.009  -4.984
   17    H2*    C   2           H2*        C   2   8.784   8.405  -2.645
   18   2HO*    C   2          2HO*        C   2  11.109   8.534  -3.034
   19    H1*    C   2           H1*        C   2   8.985  11.124  -2.906
   20   1H4     C   2          1H4         C   2   2.502   9.738  -2.610
   21   2H4     C   2          2H4         C   2   3.074   9.950  -0.959
   22    H5     C   2           H5         C   2   4.064   9.729  -4.529
   23    H6     C   2           H6         C   2   6.375  10.016  -5.170
   24   1H5*    A   3          1H5*        A   3  11.878   6.935  -2.653
   25   2H5*    A   3          2H5*        A   3  11.947   5.176  -2.436
   26    H4*    A   3           H4*        A   3  11.842   6.491  -0.279
   27    H3*    A   3           H3*        A   3   9.638   4.532  -0.937
   28    H2*    A   3           H2*        A   3   8.713   4.984   1.228
   29   2HO*    A   3          2HO*        A   3  10.474   5.057   2.535
   30    H1*    A   3           H1*        A   3   9.090   7.703   1.103
   31    H8     A   3           H8         A   3   7.869   6.401  -2.288
   32   1H6     A   3          1H6         A   3   2.201   7.239   0.180
   33   2H6     A   3          2H6         A   3   3.064   6.861  -1.308
   34    H2     A   3           H2         A   3   5.148   7.499   3.439
   35   1H5*    G   4          1H5*        G   4  11.557   3.472   3.081
   36   2H5*    G   4          2H5*        G   4  11.388   1.719   3.288
   37    H4*    G   4           H4*        G   4  10.389   3.041   5.150
   38    H3*    G   4           H3*        G   4   8.403   1.446   3.497
   39    H2*    G   4           H2*        G   4   6.838   2.008   5.235
   40   2HO*    G   4          2HO*        G   4   8.651   1.732   6.868
   41    H1*    G   4           H1*        G   4   7.820   4.610   5.529
   42    H8     G   4           H8         G   4   5.256   4.901   5.437
   43    H1     G   4           H1         G   4   4.905   2.969  -0.680
   44   1H2     G   4          1H2         G   4   8.309   2.232  -0.299
   45   2H2     G   4          2H2         G   4   6.928   2.248  -1.374
   46   1H5*    G   5          1H5*        G   5   7.585   0.241   7.511
   47   2H5*    G   5          2H5*        G   5   7.154  -1.472   7.523
   48    H4*    G   5           H4*        G   5   5.394   0.096   8.420
   49    H3*    G   5           H3*        G   5   4.729  -1.708   6.086
   50    H2*    G   5           H2*        G   5   2.441  -0.945   6.347
   51   2HO*    G   5          2HO*        G   5   2.776  -0.886   8.760
   52    H1*    G   5           H1*        G   5   3.080   1.676   6.651
   53    H8     G   5           H8         G   5   5.475   0.549   3.981
   54    H1     G   5           H1         G   5  -0.594   1.193   1.902
   55   1H2     G   5          1H2         G   5  -1.350   1.226   5.304
   56   2H2     G   5          2H2         G   5  -1.986   1.245   3.661
   57   1H5*    C   6          1H5*        C   6   1.635  -2.289   9.090
   58   2H5*    C   6          2H5*        C   6   1.194  -4.001   9.159
   59    H4*    C   6           H4*        C   6  -0.721  -2.453   8.650
   60    H3*    C   6           H3*        C   6   0.033  -4.589   6.647
   61    H2*    C   6           H2*        C   6  -1.931  -3.953   5.411
   62   2HO*    C   6          2HO*        C   6  -3.120  -3.620   7.488
   63    H1*    C   6           H1*        C   6  -1.593  -1.244   5.743
   64   1H4     C   6          1H4         C   6   2.362  -2.498   0.642
   65   2H4     C   6          2H4         C   6   0.769  -2.140  -0.009
   66    H5     C   6           H5         C   6   2.760  -2.734   3.067
   67    H6     C   6           H6         C   6   1.722  -2.620   5.239
   68   1H5*    G   7          1H5*        G   7  -4.254  -5.092   7.444
   69   2H5*    G   7          2H5*        G   7  -4.639  -6.820   7.388
   70    H4*    G   7           H4*        G   7  -5.884  -5.464   5.697
   71    H3*    G   7           H3*        G   7  -3.963  -7.559   4.668
   72    H2*    G   7           H2*        G   7  -4.865  -7.072   2.443
   73   2HO*    G   7          2HO*        G   7  -6.988  -6.714   2.724
   74    H1*    G   7           H1*        G   7  -4.701  -4.379   2.760
   75    H8     G   7           H8         G   7  -1.718  -6.069   4.529
   76    H1     G   7           H1         G   7  -0.877  -4.862  -1.739
   77   1H2     G   7          1H2         G   7  -2.926  -4.423  -2.678
   78   2H2     G   7          2H2         G   7  -4.353  -4.366  -1.660
   79   1H5*    U   8          1H5*        U   8  -8.282  -8.302   3.462
   80   2H5*    U   8          2H5*        U   8  -8.548 -10.024   3.115
   81    H4*    U   8           H4*        U   8  -9.112  -8.487   1.206
   82    H3*    U   8           H3*        U   8  -6.854 -10.461   0.731
   83    H2*    U   8           H2*        U   8  -6.955  -9.700  -1.589
   84   2HO*    U   8          2HO*        U   8  -9.360  -9.439  -1.392
   85    H1*    U   8           H1*        U   8  -7.014  -7.073  -0.899
   86    H3     U   8           H3         U   8  -2.821  -7.548  -2.498
   87    H5     U   8           H5         U   8  -2.682  -9.454   1.246
   88    H6     U   8           H6         U   8  -5.056  -9.223   1.408
   89   1H5*    G   9          1H5*        G   9  -9.567 -10.927  -2.619
   90   2H5*    G   9          2H5*        G   9  -9.728 -12.658  -2.952
   91    H4*    G   9           H4*        G   9  -9.049 -11.433  -4.936
   92    H3*    G   9           H3*        G   9  -6.953 -13.311  -3.842
   93    H2*    G   9           H2*        G   9  -5.725 -12.835  -5.895
   94   2HO*    G   9          2HO*        G   9  -7.889 -12.678  -7.057
   95    H1*    G   9           H1*        G   9  -6.025 -10.198  -5.775
   96    H8     G   9           H8         G   9  -5.915 -11.287  -2.193
   97    H1     G   9           H1         G   9  -0.132 -10.812  -4.972
   98   1H2     G   9          1H2         G   9  -0.290 -10.774  -7.017
   99   2H2     G   9          2H2         G   9  -1.707 -10.797  -7.959
  100   1H5*    C  10          1H5*        C  10  -7.232 -14.251  -8.054
  101   2H5*    C  10          2H5*        C  10  -7.278 -16.014  -8.199
  102    H4*    C  10           H4*        C  10  -5.448 -15.122  -9.532
  103    H3*    C  10           H3*        C  10  -4.496 -16.572  -7.034
  104    H2*    C  10           H2*        C  10  -2.310 -16.433  -7.987
  105   2HO*    C  10          2HO*        C  10  -3.261 -16.805 -10.196
  106    H1*    C  10           H1*        C  10  -2.623 -13.802  -8.804
  107   1H4     C  10          1H4         C  10  -1.154 -14.019  -2.298
  108   2H4     C  10          2H4         C  10   0.365 -13.960  -3.185
  109    H5     C  10           H5         C  10  -3.330 -14.209  -3.472
  110    H6     C  10           H6         C  10  -4.375 -14.264  -5.656
  111    H3T    C  10           H3T        C  10  -5.692 -17.868  -8.459
  112   1H5*    G   1          1H5*        G   1  10.898 -12.635  -4.705
  113   2H5*    G   1          2H5*        G   1  11.100 -10.996  -5.345
  114    H4*    G   1           H4*        G   1  10.092 -12.314  -7.067
  115    H3*    G   1           H3*        G   1   8.005 -10.567  -5.723
  116    H2*    G   1           H2*        G   1   6.531 -11.259  -7.487
  117   2HO*    G   1          2HO*        G   1   8.342 -11.266  -9.081
  118    H1*    G   1           H1*        G   1   7.152 -13.854  -7.278
  119    H8     G   1           H8         G   1   7.312 -12.432  -3.765
  120    H1     G   1           H1         G   1   1.374 -13.872  -5.784
  121   1H2     G   1          1H2         G   1   2.885 -13.972  -8.931
  122   2H2     G   1          2H2         G   1   1.381 -14.070  -8.016
  123    H5T    G   1           H5T        G   1   9.345 -10.322  -4.144
  124   1H5*    C   2          1H5*        C   2   7.645  -9.608  -9.824
  125   2H5*    C   2          2H5*        C   2   7.268  -7.887  -9.993
  126    H4*    C   2           H4*        C   2   5.546  -9.320 -11.007
  127    H3*    C   2           H3*        C   2   4.610  -7.799  -8.558
  128    H2*    C   2           H2*        C   2   2.389  -8.539  -9.248
  129   2HO*    C   2          2HO*        C   2   2.908  -8.360 -11.563
  130    H1*    C   2           H1*        C   2   3.164 -11.112  -9.616
  131   1H4     C   2          1H4         C   2   2.728  -9.976  -3.078
  132   2H4     C   2          2H4         C   2   1.095 -10.375  -3.543
  133    H5     C   2           H5         C   2   4.566  -9.699  -4.625
  134    H6     C   2           H6         C   2   5.220  -9.810  -6.944
  135   1H5*    A   3          1H5*        A   3   2.159  -6.848 -11.982
  136   2H5*    A   3          2H5*        A   3   1.639  -5.164 -12.020
  137    H4*    A   3           H4*        A   3  -0.245  -6.879 -12.100
  138    H3*    A   3           H3*        A   3  -0.166  -4.803  -9.908
  139    H2*    A   3           H2*        A   3  -2.058  -5.786  -8.878
  140   2HO*    A   3          2HO*        A   3  -2.968  -6.114 -11.122
  141    H1*    A   3           H1*        A   3  -1.404  -8.410  -9.273
  142    H8     A   3           H8         A   3   1.852  -6.944  -8.122
  143   1H6     A   3          1H6         A   3  -0.437  -7.704  -2.405
  144   2H6     A   3          2H6         A   3   1.019  -7.406  -3.344
  145    H2     A   3           H2         A   3  -3.840  -7.728  -5.240
  146   1H5*    G   4          1H5*        G   4  -1.856  -0.717 -10.738
  147   2H5*    G   4          2H5*        G   4  -1.221  -1.260  -9.184
  148    H4*    G   4           H4*        G   4  -3.657  -2.294 -10.685
  149    H3*    G   4           H3*        G   4  -3.093  -1.094  -7.954
  150    H2*    G   4           H2*        G   4  -5.045  -2.216  -7.139
  151   2HO*    G   4          2HO*        G   4  -6.056  -1.856  -9.382
  152    H1*    G   4           H1*        G   4  -4.428  -4.605  -8.350
  153    H8     G   4           H8         G   4  -4.824  -4.153  -5.519
  154    H1     G   4           H1         G   4   1.598  -4.053  -5.156
  155   1H2     G   4          1H2         G   4   1.383  -3.731  -8.651
  156   2H2     G   4          2H2         G   4   2.471  -3.972  -7.311
  157   1H5*    G   5          1H5*        G   5  -6.922  -0.611  -7.618
  158   2H5*    G   5          2H5*        G   5  -7.335   1.044  -7.138
  159    H4*    G   5           H4*        G   5  -8.066  -0.655  -5.480
  160    H3*    G   5           H3*        G   5  -5.961   1.327  -4.577
  161    H2*    G   5           H2*        G   5  -6.247   0.387  -2.361
  162   2HO*    G   5          2HO*        G   5  -8.628   0.104  -2.846
  163    H1*    G   5           H1*        G   5  -6.244  -2.201  -3.193
  164    H8     G   5           H8         G   5  -3.624  -0.673  -5.395
  165    H1     G   5           H1         G   5  -1.682  -1.659   0.669
  166   1H2     G   5          1H2         G   5  -5.102  -1.874   1.322
  167   2H2     G   5          2H2         G   5  -3.476  -1.862   2.004
  168   1H5*    C   6          1H5*        C   6  -9.019   1.412  -1.549
  169   2H5*    C   6          2H5*        C   6  -9.298   3.085  -1.042
  170    H4*    C   6           H4*        C   6  -8.642   1.572   0.835
  171    H3*    C   6           H3*        C   6  -6.782   3.862   0.147
  172    H2*    C   6           H2*        C   6  -5.564   3.268   2.136
  173   2HO*    C   6          2HO*        C   6  -7.638   2.788   3.269
  174    H1*    C   6           H1*        C   6  -5.721   0.547   1.727
  175   1H4     C   6          1H4         C   6  -0.584   2.229  -2.023
  176   2H4     C   6          2H4         C   6   0.050   1.830  -0.434
  177    H5     C   6           H5         C   6  -3.000   2.359  -2.481
  178    H6     C   6           H6         C   6  -5.194   2.086  -1.519
  179   1H5*    G   7          1H5*        G   7  -7.706   4.337   4.400
  180   2H5*    G   7          2H5*        G   7  -7.722   6.067   4.793
  181    H4*    G   7           H4*        G   7  -5.981   4.791   6.043
  182    H3*    G   7           H3*        G   7  -4.964   6.864   4.087
  183    H2*    G   7           H2*        G   7  -2.743   6.413   5.041
  184   2HO*    G   7          2HO*        G   7  -3.162   6.074   7.179
  185    H1*    G   7           H1*        G   7  -3.036   3.723   4.848
  186    H8     G   7           H8         G   7  -4.833   5.401   1.872
  187    H1     G   7           H1         G   7   1.510   4.599   1.155
  188   1H2     G   7          1H2         G   7   2.425   4.148   3.196
  189   2H2     G   7          2H2         G   7   1.377   3.886   4.577
  190   1H5*    U   8          1H5*        U   8  -3.606   7.572   8.262
  191   2H5*    U   8          2H5*        U   8  -3.277   9.289   8.557
  192    H4*    U   8           H4*        U   8  -1.328   7.769   9.010
  193    H3*    U   8           H3*        U   8  -0.952   9.801   6.784
  194    H2*    U   8           H2*        U   8   1.395   9.125   6.904
  195   2HO*    U   8          2HO*        U   8   1.235   8.809   9.287
  196    H1*    U   8           H1*        U   8   0.774   6.478   6.885
  197    H3     U   8           H3         U   8   2.479   7.315   2.751
  198    H5     U   8           H5         U   8  -1.438   8.834   2.592
  199    H6     U   8           H6         U   8  -1.644   8.461   4.951
  200   1H5*    G   9          1H5*        G   9   2.250  10.294   9.715
  201   2H5*    G   9          2H5*        G   9   2.584  12.019   9.924
  202    H4*    G   9           H4*        G   9   4.599  10.738   9.384
  203    H3*    G   9           H3*        G   9   3.740  12.734   7.285
  204    H2*    G   9           H2*        G   9   5.895  12.244   6.229
  205   2HO*    G   9          2HO*        G   9   6.828  11.958   8.497
  206    H1*    G   9           H1*        G   9   5.657   9.602   6.403
  207    H8     G   9           H8         G   9   2.127  10.731   6.022
  208    H1     G   9           H1         G   9   5.378  10.466   0.475
  209   1H2     G   9          1H2         G   9   8.168  10.384   2.574
  210   2H2     G   9          2H2         G   9   7.575  10.444   0.913
  211   1H5*    C  10          1H5*        C  10   7.804  13.625   7.770
  212   2H5*    C  10          2H5*        C  10   7.997  15.380   7.914
  213    H4*    C  10           H4*        C  10   9.298  14.582   6.025
  214    H3*    C  10           H3*        C  10   6.797  16.090   5.173
  215    H2*    C  10           H2*        C  10   7.674  16.013   2.960
  216   2HO*    C  10          2HO*        C  10   9.920  16.325   3.853
  217    H1*    C  10           H1*        C  10   8.457  13.367   3.133
  218   1H4     C  10          1H4         C  10   1.904  13.636   1.983
  219   2H4     C  10          2H4         C  10   2.718  13.616   0.422
  220    H5     C  10           H5         C  10   3.175  13.776   4.102
  221    H6     C  10           H6         C  10   5.395  13.772   5.049
  222    H3T    C  10           H3T        C  10   8.275  17.321   6.372