*HEADER    RNA                                     14-JUN-00   1F5G              
*TITLE     THE G7(SYN)-G4(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 1F5G    0                                                

!BIOSYM restraint 1
!
!  THIS IS FOR THE STRUCTURE WITH G7 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           
!  removed: 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           
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           
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           
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    
!  removed:  1:G_5:H1'         1:G_4:H8            2.700    5.014   25.000   25.000 1000.000    !3.857  .3/.3    
!  removed:  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    
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    
!  removed:  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    
!  removed:  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    
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    
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    
!  removed:  1:G_7:H3'         1:G_7:H8            1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative    
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 150 ms 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           
!  removed:  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           
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           
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           
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    
!  removed:  1:G_5B:H1'         1:G_4B:H8            2.700    5.014   25.000   25.000 1000.000    !3.857  .3/.3    
!  removed:  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    
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    
!  removed:  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    
!  removed:  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    
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    
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    
!  removed:  1:G_7B:H3'         1:G_7B:H8            1.000    5.500   25.000   25.000 1000.000  !999.000  !qualitative    
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
1:C_6B:H2'         1:G_7B:H1'           3.500  999.000   25.000   25.000 1000.000    !NO CROSSPEAK SEEN
!
!**********************************************
!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
1:G_5:H1          1:G_7B:H8             1.000    5.000    25.000   25.000 1000.000    !1DNOE
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           150.000 -150.000 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           -10.000   50.000 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          150.000 -150.000 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          -10.000   50.000 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  -6.465  15.326  -2.279
    2   2H5*    G   1          2H5*        G   1  -7.262  14.000  -3.138
    3    H4*    G   1           H4*        G   1  -6.074  15.302  -4.763
    4    H3*    G   1           H3*        G   1  -4.599  12.729  -4.122
    5    H2*    G   1           H2*        G   1  -3.113  13.284  -5.906
    6   2HO*    G   1          2HO*        G   1  -4.969  14.209  -7.178
    7    H1*    G   1           H1*        G   1  -2.810  15.848  -5.199
    8    H8     G   1           H8         G   1  -3.065  13.933  -1.958
    9    H1     G   1           H1         G   1   2.734  13.695  -4.740
   10   1H2     G   1          1H2         G   1   0.979  14.780  -7.562
   11   2H2     G   1          2H2         G   1   2.521  14.222  -6.913
   12    H5T    G   1           H5T        G   1  -5.713  12.590  -2.384
   13   1H5*    C   2          1H5*        C   2  -4.800  12.608  -8.323
   14   2H5*    C   2          2H5*        C   2  -5.108  10.938  -8.825
   15    H4*    C   2           H4*        C   2  -2.989  11.810  -9.745
   16    H3*    C   2           H3*        C   2  -2.707   9.571  -7.730
   17    H2*    C   2           H2*        C   2  -0.366   9.535  -8.374
   18   2HO*    C   2          2HO*        C   2  -0.919   9.986 -10.657
   19    H1*    C   2           H1*        C   2  -0.090  12.261  -8.330
   20   1H4     C   2          1H4         C   2   0.245  10.107  -2.050
   21   2H4     C   2          2H4         C   2   1.867  10.012  -2.736
   22    H5     C   2           H5         C   2  -1.712  10.705  -3.453
   23    H6     C   2           H6         C   2  -2.391  11.390  -5.670
   24   1H5*    A   3          1H5*        A   3  -0.779   8.353 -11.461
   25   2H5*    A   3          2H5*        A   3  -0.913   6.599 -11.677
   26    H4*    A   3           H4*        A   3   1.455   7.522 -11.579
   27    H3*    A   3           H3*        A   3   0.547   5.401  -9.627
   28    H2*    A   3           H2*        A   3   2.794   5.356  -8.780
   29   2HO*    A   3          2HO*        A   3   3.646   5.597 -11.021
   30    H1*    A   3           H1*        A   3   3.161   8.086  -8.814
   31    H8     A   3           H8         A   3  -0.324   7.553  -7.466
   32   1H6     A   3          1H6         A   3   2.563   6.991  -1.974
   33   2H6     A   3          2H6         A   3   0.993   7.186  -2.757
   34    H2     A   3           H2         A   3   5.582   6.467  -5.142
   35   1H5*    G   4          1H5*        G   4   4.171   3.570 -11.299
   36   2H5*    G   4          2H5*        G   4   3.878   1.821 -11.374
   37    H4*    G   4           H4*        G   4   5.731   2.445  -9.812
   38    H3*    G   4           H3*        G   4   3.275   1.167  -8.601
   39    H2*    G   4           H2*        G   4   4.402   1.199  -6.486
   40   2HO*    G   4          2HO*        G   4   6.486   0.675  -6.959
   41    H1*    G   4           H1*        G   4   5.337   3.749  -6.738
   42    H8     G   4           H8         G   4   1.742   3.431  -8.130
   43    H1     G   4           H1         G   4   2.204   3.746  -1.716
   44   1H2     G   4          1H2         G   4   5.622   3.408  -2.382
   45   2H2     G   4          2H2         G   4   4.397   3.529  -1.132
   46   1H5*    G   5          1H5*        G   5   7.316  -0.919  -7.643
   47   2H5*    G   5          2H5*        G   5   6.987  -2.641  -7.385
   48    H4*    G   5           H4*        G   5   8.360  -1.534  -5.580
   49    H3*    G   5           H3*        G   5   5.724  -2.817  -4.825
   50    H2*    G   5           H2*        G   5   6.370  -2.403  -2.523
   51   2HO*    G   5          2HO*        G   5   8.682  -2.863  -3.092
   52    H1*    G   5           H1*        G   5   7.219   0.139  -2.972
   53    H8     G   5           H8         G   5   4.107  -0.419  -5.098
   54    H1     G   5           H1         G   5   2.918   0.899   1.092
   55   1H2     G   5          1H2         G   5   6.248  -0.036   1.532
   56   2H2     G   5          2H2         G   5   4.753   0.480   2.311
   57   1H5*    C   6          1H5*        C   6   8.830  -4.420  -2.153
   58   2H5*    C   6          2H5*        C   6   8.476  -6.125  -1.840
   59    H4*    C   6           H4*        C   6   8.608  -4.751   0.240
   60    H3*    C   6           H3*        C   6   5.942  -6.007  -0.438
   61    H2*    C   6           H2*        C   6   5.231  -5.317   1.751
   62   2HO*    C   6          2HO*        C   6   6.841  -5.605   3.124
   63    H1*    C   6           H1*        C   6   6.365  -2.823   1.575
   64   1H4     C   6          1H4         C   6   0.598  -2.436  -1.667
   65   2H4     C   6          2H4         C   6   0.283  -1.987   0.002
   66    H5     C   6           H5         C   6   2.781  -3.325  -2.394
   67    H6     C   6           H6         C   6   5.027  -3.825  -1.679
   68   1H5*    G   7          1H5*        G   7   7.611  -7.409   3.469
   69   2H5*    G   7          2H5*        G   7   7.025  -9.035   3.861
   70    H4*    G   7           H4*        G   7   6.573  -7.279   5.620
   71    H3*    G   7           H3*        G   7   4.166  -8.641   4.372
   72    H2*    G   7           H2*        G   7   2.901  -7.540   6.091
   73   2HO*    G   7          2HO*        G   7   4.771  -7.979   7.633
   74    H1*    G   7           H1*        G   7   4.434  -5.194   5.985
   75    H8     G   7           H8         G   7   1.868  -4.639   6.222
   76    H1     G   7           H1         G   7   0.894  -5.932   0.006
   77   1H2     G   7          1H2         G   7   2.641  -7.118  -0.812
   78   2H2     G   7          2H2         G   7   3.975  -7.594   0.217
   79   1H5*    U   8          1H5*        U   8   3.646  -9.135   8.647
   80   2H5*    U   8          2H5*        U   8   2.826 -10.675   8.931
   81    H4*    U   8           H4*        U   8   1.541  -8.694   9.732
   82    H3*    U   8           H3*        U   8   0.288 -10.347   7.524
   83    H2*    U   8           H2*        U   8  -1.712  -9.024   7.944
   84   2HO*    U   8          2HO*        U   8  -1.189  -8.985  10.309
   85    H1*    U   8           H1*        U   8  -0.393  -6.669   8.024
   86    H3     U   8           H3         U   8  -2.698  -6.607   4.084
   87    H5     U   8           H5         U   8   0.496  -9.241   3.353
   88    H6     U   8           H6         U   8   1.107  -9.095   5.665
   89   1H5*    G   9          1H5*        G   9  -2.545 -10.136  10.903
   90   2H5*    G   9          2H5*        G   9  -3.183 -11.766  11.169
   91    H4*    G   9           H4*        G   9  -4.972 -10.123  10.979
   92    H3*    G   9           H3*        G   9  -4.822 -12.173   8.767
   93    H2*    G   9           H2*        G   9  -6.936 -11.255   7.974
   94   2HO*    G   9          2HO*        G   9  -7.520 -10.879  10.350
   95    H1*    G   9           H1*        G   9  -6.222  -8.701   8.159
   96    H8     G   9           H8         G   9  -2.995 -10.331   7.315
   97    H1     G   9           H1         G   9  -6.846  -9.505   2.236
   98   1H2     G   9          1H2         G   9  -9.315  -9.140   4.680
   99   2H2     G   9          2H2         G   9  -8.956  -9.279   2.956
  100   1H5*    C  10          1H5*        C  10  -8.909 -12.318   9.681
  101   2H5*    C  10          2H5*        C  10  -9.359 -14.021   9.875
  102    H4*    C  10           H4*        C  10 -10.698 -13.047   8.104
  103    H3*    C  10           H3*        C  10  -8.537 -14.906   7.040
  104    H2*    C  10           H2*        C  10  -9.605 -14.709   4.925
  105   2HO*    C  10          2HO*        C  10 -11.774 -14.705   6.038
  106    H1*    C  10           H1*        C  10 -10.008 -11.978   5.142
  107   1H4     C  10          1H4         C  10  -3.719 -13.106   3.273
  108   2H4     C  10          2H4         C  10  -4.696 -12.981   1.813
  109    H5     C  10           H5         C  10  -4.753 -13.092   5.525
  110    H6     C  10           H6         C  10  -6.838 -12.804   6.714
  111    H3T    C  10           H3T        C  10 -10.045 -15.907   8.402
  112   1H5*    G   1          1H5*        G   1  -6.969 -12.388  -8.708
  113   2H5*    G   1          2H5*        G   1  -7.633 -10.771  -8.990
  114    H4*    G   1           H4*        G   1  -9.251 -12.011  -7.727
  115    H3*    G   1           H3*        G   1  -7.759 -10.055  -5.949
  116    H2*    G   1           H2*        G   1  -9.340 -10.626  -4.246
  117   2HO*    G   1          2HO*        G   1 -11.100 -10.803  -5.913
  118    H1*    G   1           H1*        G   1  -9.201 -13.270  -4.666
  119    H8     G   1           H8         G   1  -5.702 -11.970  -5.219
  120    H1     G   1           H1         G   1  -7.306 -12.724   0.968
  121   1H2     G   1          1H2         G   1 -10.562 -12.796  -0.302
  122   2H2     G   1          2H2         G   1  -9.545 -12.776   1.139
  123    H5T    G   1           H5T        G   1  -6.288  -9.954  -7.410
  124   1H5*    C   2          1H5*        C   2 -11.773  -9.114  -5.176
  125   2H5*    C   2          2H5*        C   2 -11.938  -7.360  -5.000
  126    H4*    C   2           H4*        C   2 -12.652  -8.566  -2.969
  127    H3*    C   2           H3*        C   2 -10.171  -6.864  -2.661
  128    H2*    C   2           H2*        C   2 -10.365  -7.327  -0.289
  129   2HO*    C   2          2HO*        C   2 -12.768  -7.218  -0.437
  130    H1*    C   2           H1*        C   2 -10.893  -9.994  -0.624
  131   1H4     C   2          1H4         C   2  -4.329  -9.176  -1.249
  132   2H4     C   2          2H4         C   2  -4.682  -9.376   0.467
  133    H5     C   2           H5         C   2  -6.149  -8.983  -2.923
  134    H6     C   2           H6         C   2  -8.549  -9.053  -3.219
  135   1H5*    A   3          1H5*        A   3 -13.076  -5.571   0.297
  136   2H5*    A   3          2H5*        A   3 -12.941  -3.828   0.587
  137    H4*    A   3           H4*        A   3 -12.561  -5.301   2.618
  138    H3*    A   3           H3*        A   3 -10.374  -3.419   1.706
  139    H2*    A   3           H2*        A   3  -9.158  -4.084   3.673
  140   2HO*    A   3          2HO*        A   3 -11.212  -4.111   4.937
  141    H1*    A   3           H1*        A   3  -9.768  -6.767   3.460
  142    H8     A   3           H8         A   3  -8.979  -5.659  -0.051
  143   1H6     A   3          1H6         A   3  -3.073  -6.825   1.553
  144   2H6     A   3          2H6         A   3  -4.152  -6.481   0.199
  145    H2     A   3           H2         A   3  -5.432  -6.480   5.261
  146   1H5*    G   4          1H5*        G   4 -10.875  -2.262   5.882
  147   2H5*    G   4          2H5*        G   4 -10.603  -0.511   6.000
  148    H4*    G   4           H4*        G   4  -8.911  -1.849   7.262
  149    H3*    G   4           H3*        G   4  -7.876  -0.272   4.897
  150    H2*    G   4           H2*        G   4  -5.664  -0.971   5.547
  151   2HO*    G   4          2HO*        G   4  -5.639  -0.934   7.732
  152    H1*    G   4           H1*        G   4  -6.364  -3.578   5.930
  153    H8     G   4           H8         G   4  -8.261  -2.143   2.894
  154    H1     G   4           H1         G   4  -2.111  -3.700   1.798
  155   1H2     G   4          1H2         G   4  -1.102  -4.135   3.792
  156   2H2     G   4          2H2         G   4  -2.042  -4.091   5.273
  157   1H5*    G   5          1H5*        G   5  -5.770   0.559   8.874
  158   2H5*    G   5          2H5*        G   5  -5.165   2.224   8.875
  159    H4*    G   5           H4*        G   5  -3.460   0.466   9.488
  160    H3*    G   5           H3*        G   5  -2.908   2.211   7.073
  161    H2*    G   5           H2*        G   5  -0.692   1.206   7.100
  162   2HO*    G   5          2HO*        G   5  -0.743   1.160   9.524
  163    H1*    G   5           H1*        G   5  -1.617  -1.329   7.465
  164    H8     G   5           H8         G   5  -4.039   0.382   5.091
  165    H1     G   5           H1         G   5   1.382  -1.708   2.311
  166   1H2     G   5          1H2         G   5   2.591  -1.748   5.582
  167   2H2     G   5          2H2         G   5   2.958  -2.008   3.878
  168   1H5*    C   6          1H5*        C   6   0.550   2.424   9.736
  169   2H5*    C   6          2H5*        C   6   1.215   4.064   9.704
  170    H4*    C   6           H4*        C   6   2.880   2.319   9.062
  171    H3*    C   6           H3*        C   6   2.099   4.312   6.922
  172    H2*    C   6           H2*        C   6   3.941   3.395   5.657
  173   2HO*    C   6          2HO*        C   6   5.533   3.005   7.063
  174    H1*    C   6           H1*        C   6   3.293   0.793   6.237
  175   1H4     C   6          1H4         C   6  -0.845   2.541   1.375
  176   2H4     C   6          2H4         C   6   0.596   1.890   0.611
  177    H5     C   6           H5         C   6  -0.968   2.952   3.803
  178    H6     C   6           H6         C   6   0.211   2.715   5.889
  179   1H5*    G   7          1H5*        G   7   6.414   4.461   7.918
  180   2H5*    G   7          2H5*        G   7   7.108   6.063   7.610
  181    H4*    G   7           H4*        G   7   8.234   4.148   6.396
  182    H3*    G   7           H3*        G   7   6.972   6.308   4.673
  183    H2*    G   7           H2*        G   7   8.119   5.224   2.859
  184   2HO*    G   7          2HO*        G   7  10.011   4.841   4.392
  185    H1*    G   7           H1*        G   7   7.658   2.645   3.878
  186    H8     G   7           H8         G   7   7.338   2.794   1.237
  187    H1     G   7           H1         G   7   1.553   5.478   2.013
  188   1H2     G   7          1H2         G   7   1.359   6.281   4.125
  189   2H2     G   7          2H2         G   7   2.689   6.170   5.260
  190   1H5*    U   8          1H5*        U   8  11.038   6.012   3.300
  191   2H5*    U   8          2H5*        U   8  11.590   7.606   2.774
  192    H4*    U   8           H4*        U   8  11.605   5.901   0.960
  193    H3*    U   8           H3*        U   8   9.708   8.238   0.588
  194    H2*    U   8           H2*        U   8   9.482   7.393  -1.693
  195   2HO*    U   8          2HO*        U   8  11.808   6.719  -1.682
  196    H1*    U   8           H1*        U   8   9.140   4.829  -0.904
  197    H3     U   8           H3         U   8   5.005   6.227  -2.269
  198    H5     U   8           H5         U   8   5.496   7.991   1.515
  199    H6     U   8           H6         U   8   7.767   7.222   1.546
  200   1H5*    G   9          1H5*        G   9  12.372   8.056  -2.864
  201   2H5*    G   9          2H5*        G   9  12.926   9.696  -3.238
  202    H4*    G   9           H4*        G   9  11.999   8.590  -5.204
  203    H3*    G   9           H3*        G   9  10.419  10.954  -4.182
  204    H2*    G   9           H2*        G   9   9.093  10.728  -6.222
  205   2HO*    G   9          2HO*        G   9  11.170  10.008  -7.356
  206    H1*    G   9           H1*        G   9   8.752   8.098  -6.013
  207    H8     G   9           H8         G   9   8.912   9.097  -2.445
  208    H1     G   9           H1         G   9   3.212  10.282  -5.168
  209   1H2     G   9          1H2         G   9   5.022   9.973  -8.140
  210   2H2     G   9          2H2         G   9   3.477  10.391  -7.391
  211   1H5*    C  10          1H5*        C  10  10.652  11.844  -8.235
  212   2H5*    C  10          2H5*        C  10  11.185  13.523  -8.420
  213    H4*    C  10           H4*        C  10   9.037  13.261  -9.507
  214    H3*    C  10           H3*        C  10   8.826  14.780  -6.880
  215    H2*    C  10           H2*        C  10   6.580  15.256  -7.488
  216   2HO*    C  10          2HO*        C  10   7.278  15.495  -9.814
  217    H1*    C  10           H1*        C  10   6.047  12.695  -8.385
  218   1H4     C  10          1H4         C  10   5.647  12.778  -1.744
  219   2H4     C  10          2H4         C  10   4.057  13.194  -2.378
  220    H5     C  10           H5         C  10   7.606  12.511  -3.240
  221    H6     C  10           H6         C  10   8.300  12.441  -5.550
  222    H3T    C  10           H3T        C  10  10.118  15.786  -8.446
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1  -5.419  16.406  -1.808
    2   2H5*    G   1          2H5*        G   1  -6.419  15.197  -2.629
    3    H4*    G   1           H4*        G   1  -5.124  16.329  -4.301
    4    H3*    G   1           H3*        G   1  -3.976  13.581  -3.715
    5    H2*    G   1           H2*        G   1  -2.524  13.953  -5.580
    6   2HO*    G   1          2HO*        G   1  -4.309  15.121  -6.752
    7    H1*    G   1           H1*        G   1  -1.862  16.452  -4.885
    8    H8     G   1           H8         G   1  -2.186  14.567  -1.638
    9    H1     G   1           H1         G   1   3.373  13.589  -4.729
   10   1H2     G   1          1H2         G   1   1.613  14.878  -7.461
   11   2H2     G   1          2H2         G   1   3.105  14.126  -6.894
   12    H5T    G   1           H5T        G   1  -5.036  13.594  -1.930
   13   1H5*    C   2          1H5*        C   2  -4.398  13.560  -7.904
   14   2H5*    C   2          2H5*        C   2  -4.948  11.959  -8.416
   15    H4*    C   2           H4*        C   2  -2.796  12.582  -9.452
   16    H3*    C   2           H3*        C   2  -2.725  10.250  -7.534
   17    H2*    C   2           H2*        C   2  -0.439   9.914  -8.276
   18   2HO*    C   2          2HO*        C   2  -1.040  10.522 -10.520
   19    H1*    C   2           H1*        C   2   0.231  12.565  -8.188
   20   1H4     C   2          1H4         C   2   0.583  10.402  -1.934
   21   2H4     C   2          2H4         C   2   2.140  10.092  -2.700
   22    H5     C   2           H5         C   2  -1.353  11.226  -3.248
   23    H6     C   2           H6         C   2  -2.045  11.983  -5.439
   24   1H5*    A   3          1H5*        A   3  -1.162   8.940 -11.381
   25   2H5*    A   3          2H5*        A   3  -1.600   7.249 -11.677
   26    H4*    A   3           H4*        A   3   0.890   7.703 -11.634
   27    H3*    A   3           H3*        A   3  -0.338   5.766  -9.670
   28    H2*    A   3           H2*        A   3   1.841   5.295  -8.856
   29   2HO*    A   3          2HO*        A   3   2.861   5.137 -10.892
   30    H1*    A   3           H1*        A   3   2.776   7.907  -8.983
   31    H8     A   3           H8         A   3  -0.698   7.887  -7.437
   32   1H6     A   3          1H6         A   3   2.396   7.056  -2.089
   33   2H6     A   3          2H6         A   3   0.812   7.393  -2.789
   34    H2     A   3           H2         A   3   5.183   6.230  -5.399
   35   1H5*    G   4          1H5*        G   4   2.091   1.188 -10.783
   36   2H5*    G   4          2H5*        G   4   1.321   1.996  -9.408
   37    H4*    G   4           H4*        G   4   4.263   2.163 -10.182
   38    H3*    G   4           H3*        G   4   2.670   0.819  -8.003
   39    H2*    G   4           H2*        G   4   4.308   1.367  -6.349
   40   2HO*    G   4          2HO*        G   4   6.075   1.023  -7.964
   41    H1*    G   4           H1*        G   4   4.592   3.958  -7.067
   42    H8     G   4           H8         G   4   0.964   3.497  -7.902
   43    H1     G   4           H1         G   4   2.109   3.843  -1.582
   44   1H2     G   4          1H2         G   4   4.365   3.531  -1.232
   45   2H2     G   4          2H2         G   4   5.438   3.352  -2.612
   46   1H5*    G   5          1H5*        G   5   6.837  -0.580  -7.447
   47   2H5*    G   5          2H5*        G   5   6.778  -2.325  -7.158
   48    H4*    G   5           H4*        G   5   8.036  -1.053  -5.416
   49    H3*    G   5           H3*        G   5   5.564  -2.576  -4.558
   50    H2*    G   5           H2*        G   5   6.215  -2.041  -2.285
   51   2HO*    G   5          2HO*        G   5   8.550  -2.289  -2.921
   52    H1*    G   5           H1*        G   5   6.805   0.559  -2.811
   53    H8     G   5           H8         G   5   3.726  -0.259  -4.873
   54    H1     G   5           H1         G   5   2.551   1.034   1.327
   55   1H2     G   5          1H2         G   5   5.939   0.313   1.723
   56   2H2     G   5          2H2         G   5   4.429   0.749   2.521
   57   1H5*    C   6          1H5*        C   6   8.807  -3.835  -1.890
   58   2H5*    C   6          2H5*        C   6   8.616  -5.566  -1.573
   59    H4*    C   6           H4*        C   6   8.601  -4.207   0.508
   60    H3*    C   6           H3*        C   6   6.033  -5.641  -0.200
   61    H2*    C   6           H2*        C   6   5.261  -5.010   1.987
   62   2HO*    C   6          2HO*        C   6   6.893  -5.194   3.361
   63    H1*    C   6           H1*        C   6   6.213  -2.443   1.817
   64   1H4     C   6          1H4         C   6   0.475  -2.465  -1.498
   65   2H4     C   6          2H4         C   6   0.123  -2.002   0.160
   66    H5     C   6           H5         C   6   2.718  -3.235  -2.189
   67    H6     C   6           H6         C   6   4.985  -3.572  -1.444
   68   1H5*    G   7          1H5*        G   7   7.716  -6.951   3.736
   69   2H5*    G   7          2H5*        G   7   7.210  -8.608   4.110
   70    H4*    G   7           H4*        G   7   6.620  -6.891   5.863
   71    H3*    G   7           H3*        G   7   4.315  -8.360   4.546
   72    H2*    G   7           H2*        G   7   2.957  -7.335   6.243
   73   2HO*    G   7          2HO*        G   7   4.809  -7.694   7.826
   74    H1*    G   7           H1*        G   7   4.373  -4.916   6.184
   75    H8     G   7           H8         G   7   1.791  -4.460   6.350
   76    H1     G   7           H1         G   7   0.979  -5.905   0.145
   77   1H2     G   7          1H2         G   7   2.807  -6.996  -0.633
   78   2H2     G   7          2H2         G   7   4.153  -7.373   0.421
   79   1H5*    U   8          1H5*        U   8   3.716  -8.914   8.802
   80   2H5*    U   8          2H5*        U   8   2.964 -10.493   9.055
   81    H4*    U   8           H4*        U   8   1.571  -8.579   9.842
   82    H3*    U   8           H3*        U   8   0.441 -10.274   7.598
   83    H2*    U   8           H2*        U   8  -1.627  -9.050   7.991
   84   2HO*    U   8          2HO*        U   8  -1.156  -9.001  10.363
   85    H1*    U   8           H1*        U   8  -0.419  -6.637   8.104
   86    H3     U   8           H3         U   8  -2.657  -6.670   4.124
   87    H5     U   8           H5         U   8   0.678  -9.138   3.440
   88    H6     U   8           H6         U   8   1.243  -8.969   5.763
   89   1H5*    G   9          1H5*        G   9  -2.464 -10.228  10.918
   90   2H5*    G   9          2H5*        G   9  -3.055 -11.882  11.139
   91    H4*    G   9           H4*        G   9  -4.890 -10.291  10.923
   92    H3*    G   9           H3*        G   9  -4.620 -12.294   8.680
   93    H2*    G   9           H2*        G   9  -6.747 -11.428   7.863
   94   2HO*    G   9          2HO*        G   9  -7.404 -11.119  10.220
   95    H1*    G   9           H1*        G   9  -6.110  -8.860   8.100
   96    H8     G   9           H8         G   9  -2.827 -10.409   7.302
   97    H1     G   9           H1         G   9  -6.594  -9.629   2.155
   98   1H2     G   9          1H2         G   9  -9.115  -9.307   4.552
   99   2H2     G   9          2H2         G   9  -8.721  -9.444   2.834
  100   1H5*    C  10          1H5*        C  10  -8.729 -12.602   9.577
  101   2H5*    C  10          2H5*        C  10  -9.144 -14.324   9.658
  102    H4*    C  10           H4*        C  10 -10.466 -13.188   7.931
  103    H3*    C  10           H3*        C  10  -8.398 -15.154   6.898
  104    H2*    C  10           H2*        C  10  -9.294 -14.825   4.731
  105   2HO*    C  10          2HO*        C  10 -11.253 -13.679   4.404
  106    H1*    C  10           H1*        C  10  -9.664 -12.073   5.007
  107   1H4     C  10          1H4         C  10  -3.375 -13.194   3.226
  108   2H4     C  10          2H4         C  10  -4.325 -13.062   1.749
  109    H5     C  10           H5         C  10  -4.448 -13.227   5.459
  110    H6     C  10           H6         C  10  -6.560 -12.971   6.615
  111    H3T    C  10           H3T        C  10 -11.185 -15.414   6.857
  112   1H5*    G   1          1H5*        G   1  -6.403 -12.484  -8.813
  113   2H5*    G   1          2H5*        G   1  -7.114 -10.888  -9.102
  114    H4*    G   1           H4*        G   1  -8.711 -12.185  -7.868
  115    H3*    G   1           H3*        G   1  -7.315 -10.183  -6.063
  116    H2*    G   1           H2*        G   1  -8.902 -10.811  -4.387
  117   2HO*    G   1          2HO*        G   1 -10.627 -11.045  -6.084
  118    H1*    G   1           H1*        G   1  -8.668 -13.447  -4.808
  119    H8     G   1           H8         G   1  -5.206 -12.032  -5.301
  120    H1     G   1           H1         G   1  -6.887 -12.849   0.857
  121   1H2     G   1          1H2         G   1 -10.117 -13.018  -0.470
  122   2H2     G   1          2H2         G   1  -9.126 -12.963   0.989
  123    H5T    G   1           H5T        G   1  -5.822 -10.033  -7.499
  124   1H5*    C   2          1H5*        C   2 -11.380  -9.393  -5.361
  125   2H5*    C   2          2H5*        C   2 -11.613  -7.646  -5.185
  126    H4*    C   2           H4*        C   2 -12.325  -8.883  -3.172
  127    H3*    C   2           H3*        C   2  -9.917  -7.089  -2.810
  128    H2*    C   2           H2*        C   2 -10.146  -7.561  -0.442
  129   2HO*    C   2          2HO*        C   2 -12.547  -7.542  -0.643
  130    H1*    C   2           H1*        C   2 -10.568 -10.246  -0.790
  131   1H4     C   2          1H4         C   2  -4.025  -9.211  -1.272
  132   2H4     C   2          2H4         C   2  -4.407  -9.428   0.435
  133    H5     C   2           H5         C   2  -5.814  -9.069  -2.984
  134    H6     C   2           H6         C   2  -8.203  -9.216  -3.331
  135   1H5*    A   3          1H5*        A   3 -12.943  -5.908   0.075
  136   2H5*    A   3          2H5*        A   3 -12.882  -4.162   0.367
  137    H4*    A   3           H4*        A   3 -12.498  -5.619   2.409
  138    H3*    A   3           H3*        A   3 -10.360  -3.657   1.549
  139    H2*    A   3           H2*        A   3  -9.169  -4.277   3.547
  140   2HO*    A   3          2HO*        A   3 -11.246  -4.378   4.764
  141    H1*    A   3           H1*        A   3  -9.678  -6.980   3.322
  142    H8     A   3           H8         A   3  -8.836  -5.839  -0.167
  143   1H6     A   3          1H6         A   3  -2.942  -6.843   1.584
  144   2H6     A   3          2H6         A   3  -3.996  -6.524   0.205
  145    H2     A   3           H2         A   3  -5.404  -6.573   5.233
  146   1H5*    G   4          1H5*        G   4 -11.029  -2.527   5.715
  147   2H5*    G   4          2H5*        G   4 -10.820  -0.768   5.844
  148    H4*    G   4           H4*        G   4  -9.125  -2.050   7.159
  149    H3*    G   4           H3*        G   4  -8.070  -0.432   4.830
  150    H2*    G   4           H2*        G   4  -5.858  -1.055   5.552
  151   2HO*    G   4          2HO*        G   4  -5.900  -1.024   7.735
  152    H1*    G   4           H1*        G   4  -6.478  -3.685   5.911
  153    H8     G   4           H8         G   4  -8.316  -2.292   2.815
  154    H1     G   4           H1         G   4  -2.103  -3.714   1.913
  155   1H2     G   4          1H2         G   4  -2.134  -4.102   5.390
  156   2H2     G   4          2H2         G   4  -1.144  -4.119   3.943
  157   1H5*    G   5          1H5*        G   5  -6.130   0.470   8.874
  158   2H5*    G   5          2H5*        G   5  -5.583   2.154   8.897
  159    H4*    G   5           H4*        G   5  -3.839   0.453   9.563
  160    H3*    G   5           H3*        G   5  -3.271   2.225   7.171
  161    H2*    G   5           H2*        G   5  -1.025   1.289   7.256
  162   2HO*    G   5          2HO*        G   5  -1.157   1.224   9.683
  163    H1*    G   5           H1*        G   5  -1.876  -1.273   7.582
  164    H8     G   5           H8         G   5  -4.296   0.370   5.155
  165    H1     G   5           H1         G   5   1.232  -1.597   2.501
  166   1H2     G   5          1H2         G   5   2.386  -1.548   5.793
  167   2H2     G   5          2H2         G   5   2.790  -1.818   4.098
  168   1H5*    C   6          1H5*        C   6   0.097   2.512   9.927
  169   2H5*    C   6          2H5*        C   6   0.708   4.172   9.944
  170    H4*    C   6           H4*        C   6   2.453   2.508   9.333
  171    H3*    C   6           H3*        C   6   1.667   4.501   7.203
  172    H2*    C   6           H2*        C   6   3.537   3.695   5.943
  173   2HO*    C   6          2HO*        C   6   5.004   3.498   7.662
  174    H1*    C   6           H1*        C   6   3.030   1.042   6.489
  175   1H4     C   6          1H4         C   6  -1.181   2.599   1.623
  176   2H4     C   6          2H4         C   6   0.267   1.973   0.856
  177    H5     C   6           H5         C   6  -1.310   3.034   4.037
  178    H6     C   6           H6         C   6  -0.126   2.853   6.122
  179   1H5*    G   7          1H5*        G   7   6.345   7.082   6.631
  180   2H5*    G   7          2H5*        G   7   5.050   6.503   5.562
  181    H4*    G   7           H4*        G   7   7.429   4.808   6.438
  182    H3*    G   7           H3*        G   7   6.907   6.471   3.965
  183    H2*    G   7           H2*        G   7   7.975   4.787   2.635
  184   2HO*    G   7          2HO*        G   7   9.508   4.433   4.576
  185    H1*    G   7           H1*        G   7   6.777   2.657   3.898
  186    H8     G   7           H8         G   7   6.710   3.115   1.104
  187    H1     G   7           H1         G   7   0.911   5.693   2.123
  188   1H2     G   7          1H2         G   7   0.756   6.366   4.317
  189   2H2     G   7          2H2         G   7   2.144   6.206   5.384
  190   1H5*    U   8          1H5*        U   8  10.660   5.384   3.010
  191   2H5*    U   8          2H5*        U   8  11.602   6.787   2.473
  192    H4*    U   8           H4*        U   8  11.369   5.130   0.677
  193    H3*    U   8           H3*        U   8   9.817   7.697   0.196
  194    H2*    U   8           H2*        U   8   9.514   6.824  -2.062
  195   2HO*    U   8          2HO*        U   8  11.723   5.825  -1.980
  196    H1*    U   8           H1*        U   8   8.792   4.366  -1.199
  197    H3     U   8           H3         U   8   4.846   6.228  -2.559
  198    H5     U   8           H5         U   8   5.605   7.987   1.184
  199    H6     U   8           H6         U   8   7.780   6.994   1.175
  200   1H5*    G   9          1H5*        G   9  12.378   7.117  -3.236
  201   2H5*    G   9          2H5*        G   9  13.104   8.670  -3.684
  202    H4*    G   9           H4*        G   9  11.960   7.637  -5.573
  203    H3*    G   9           H3*        G   9  10.689  10.183  -4.555
  204    H2*    G   9           H2*        G   9   9.261  10.042  -6.534
  205   2HO*    G   9          2HO*        G   9  11.191   9.088  -7.735
  206    H1*    G   9           H1*        G   9   8.655   7.472  -6.225
  207    H8     G   9           H8         G   9   9.092   8.628  -2.711
  208    H1     G   9           H1         G   9   3.390  10.195  -5.225
  209   1H2     G   9          1H2         G   9   5.000   9.576  -8.261
  210   2H2     G   9          2H2         G   9   3.550  10.186  -7.456
  211   1H5*    C  10          1H5*        C  10  10.894  10.945  -8.660
  212   2H5*    C  10          2H5*        C  10  11.510  12.589  -8.911
  213    H4*    C  10           H4*        C  10   9.282  12.345  -9.900
  214    H3*    C  10           H3*        C  10   9.407  14.124  -7.445
  215    H2*    C  10           H2*        C  10   7.135  14.672  -7.826
  216   2HO*    C  10          2HO*        C  10   6.064  14.058  -9.763
  217    H1*    C  10           H1*        C  10   6.345  12.093  -8.525
  218   1H4     C  10          1H4         C  10   6.359  12.530  -1.914
  219   2H4     C  10          2H4         C  10   4.772  13.049  -2.472
  220    H5     C  10           H5         C  10   8.204  12.066  -3.500
  221    H6     C  10           H6         C  10   8.750  11.845  -5.843
  222    H3T    C  10           H3T        C  10   8.935  14.884 -10.098
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1  -5.990  15.974  -2.226
    2   2H5*    G   1          2H5*        G   1  -6.910  14.678  -3.005
    3    H4*    G   1           H4*        G   1  -5.730  15.846  -4.726
    4    H3*    G   1           H3*        G   1  -4.381  13.212  -4.068
    5    H2*    G   1           H2*        G   1  -2.935  13.619  -5.919
    6   2HO*    G   1          2HO*        G   1  -4.779  14.617  -7.154
    7    H1*    G   1           H1*        G   1  -2.439  16.173  -5.315
    8    H8     G   1           H8         G   1  -2.712  14.393  -1.999
    9    H1     G   1           H1         G   1   2.972  13.704  -4.938
   10   1H2     G   1          1H2         G   1   1.200  14.798  -7.745
   11   2H2     G   1          2H2         G   1   2.726  14.174  -7.120
   12    H5T    G   1           H5T        G   1  -5.421  13.193  -2.280
   13   1H5*    C   2          1H5*        C   2  -4.767  12.967  -8.248
   14   2H5*    C   2          2H5*        C   2  -5.196  11.303  -8.678
   15    H4*    C   2           H4*        C   2  -3.065  12.013  -9.706
   16    H3*    C   2           H3*        C   2  -2.843   9.825  -7.627
   17    H2*    C   2           H2*        C   2  -0.537   9.624  -8.347
   18   2HO*    C   2          2HO*        C   2  -1.135  10.026 -10.623
   19    H1*    C   2           H1*        C   2  -0.092  12.328  -8.412
   20   1H4     C   2          1H4         C   2   0.352  10.370  -2.075
   21   2H4     C   2          2H4         C   2   1.940  10.157  -2.809
   22    H5     C   2           H5         C   2  -1.615  11.037  -3.426
   23    H6     C   2           H6         C   2  -2.338  11.686  -5.640
   24   1H5*    A   3          1H5*        A   3  -1.125   8.352 -11.384
   25   2H5*    A   3          2H5*        A   3  -1.365   6.601 -11.516
   26    H4*    A   3           H4*        A   3   1.053   7.391 -11.540
   27    H3*    A   3           H3*        A   3   0.108   5.407  -9.467
   28    H2*    A   3           H2*        A   3   2.378   5.281  -8.696
   29   2HO*    A   3          2HO*        A   3   3.164   5.389 -10.971
   30    H1*    A   3           H1*        A   3   2.883   7.979  -8.849
   31    H8     A   3           H8         A   3  -0.587   7.673  -7.382
   32   1H6     A   3          1H6         A   3   2.430   7.110  -1.960
   33   2H6     A   3          2H6         A   3   0.849   7.364  -2.701
   34    H2     A   3           H2         A   3   5.323   6.351  -5.196
   35   1H5*    G   4          1H5*        G   4   3.630   3.388 -11.161
   36   2H5*    G   4          2H5*        G   4   3.299   1.644 -11.142
   37    H4*    G   4           H4*        G   4   5.226   2.331  -9.679
   38    H3*    G   4           H3*        G   4   2.820   1.071  -8.358
   39    H2*    G   4           H2*        G   4   3.985   1.192  -6.270
   40   2HO*    G   4          2HO*        G   4   6.064   0.660  -6.776
   41    H1*    G   4           H1*        G   4   4.915   3.732  -6.630
   42    H8     G   4           H8         G   4   1.288   3.457  -7.916
   43    H1     G   4           H1         G   4   1.928   3.873  -1.522
   44   1H2     G   4          1H2         G   4   5.313   3.390  -2.287
   45   2H2     G   4          2H2         G   4   4.142   3.591  -0.996
   46   1H5*    G   5          1H5*        G   5   6.968  -0.882  -7.486
   47   2H5*    G   5          2H5*        G   5   6.701  -2.607  -7.185
   48    H4*    G   5           H4*        G   5   8.129  -1.431  -5.466
   49    H3*    G   5           H3*        G   5   5.577  -2.797  -4.585
   50    H2*    G   5           H2*        G   5   6.285  -2.322  -2.314
   51   2HO*    G   5          2HO*        G   5   8.590  -2.714  -2.972
   52    H1*    G   5           H1*        G   5   7.041   0.236  -2.818
   53    H8     G   5           H8         G   5   3.878  -0.435  -4.831
   54    H1     G   5           H1         G   5   2.854   1.035   1.354
   55   1H2     G   5          1H2         G   5   6.202   0.151   1.728
   56   2H2     G   5          2H2         G   5   4.721   0.665   2.532
   57   1H5*    C   6          1H5*        C   6   8.820  -4.260  -1.995
   58   2H5*    C   6          2H5*        C   6   8.530  -5.972  -1.656
   59    H4*    C   6           H4*        C   6   8.653  -4.585   0.410
   60    H3*    C   6           H3*        C   6   6.004  -5.903  -0.217
   61    H2*    C   6           H2*        C   6   5.306  -5.204   1.976
   62   2HO*    C   6          2HO*        C   6   7.004  -5.496   3.280
   63    H1*    C   6           H1*        C   6   6.380  -2.689   1.758
   64   1H4     C   6          1H4         C   6   0.602  -2.426  -1.473
   65   2H4     C   6          2H4         C   6   0.295  -1.923   0.181
   66    H5     C   6           H5         C   6   2.779  -3.342  -2.180
   67    H6     C   6           H6         C   6   5.030  -3.808  -1.462
   68   1H5*    G   7          1H5*        G   7   7.692  -7.253   3.697
   69   2H5*    G   7          2H5*        G   7   7.130  -8.890   4.082
   70    H4*    G   7           H4*        G   7   6.615  -7.149   5.835
   71    H3*    G   7           H3*        G   7   4.252  -8.538   4.532
   72    H2*    G   7           H2*        G   7   2.937  -7.461   6.228
   73   2HO*    G   7          2HO*        G   7   4.781  -7.888   7.807
   74    H1*    G   7           H1*        G   7   4.444  -5.097   6.168
   75    H8     G   7           H8         G   7   1.881  -4.544   6.347
   76    H1     G   7           H1         G   7   1.003  -5.911   0.133
   77   1H2     G   7          1H2         G   7   4.099  -7.536   0.401
   78   2H2     G   7          2H2         G   7   2.773  -7.086  -0.650
   79   1H5*    U   8          1H5*        U   8   3.639  -9.072   8.781
   80   2H5*    U   8          2H5*        U   8   2.846 -10.631   9.034
   81    H4*    U   8           H4*        U   8   1.497  -8.689   9.818
   82    H3*    U   8           H3*        U   8   0.339 -10.338   7.554
   83    H2*    U   8           H2*        U   8  -1.697  -9.061   7.934
   84   2HO*    U   8          2HO*        U   8  -1.247  -9.043  10.312
   85    H1*    U   8           H1*        U   8  -0.426  -6.681   8.082
   86    H3     U   8           H3         U   8  -2.638  -6.620   4.090
   87    H5     U   8           H5         U   8   0.629  -9.176   3.404
   88    H6     U   8           H6         U   8   1.184  -9.041   5.731
   89   1H5*    G   9          1H5*        G   9  -2.590 -10.229  10.862
   90   2H5*    G   9          2H5*        G   9  -3.206 -11.875  11.082
   91    H4*    G   9           H4*        G   9  -5.019 -10.261  10.873
   92    H3*    G   9           H3*        G   9  -4.775 -12.264   8.628
   93    H2*    G   9           H2*        G   9  -6.886 -11.369   7.802
   94   2HO*    G   9          2HO*        G   9  -7.535 -11.050  10.168
   95    H1*    G   9           H1*        G   9  -6.222  -8.807   8.051
   96    H8     G   9           H8         G   9  -2.950 -10.373   7.256
   97    H1     G   9           H1         G   9  -6.692  -9.507   2.102
   98   1H2     G   9          1H2         G   9  -9.222  -9.217   4.495
   99   2H2     G   9          2H2         G   9  -8.822  -9.319   2.777
  100   1H5*    C  10          1H5*        C  10  -8.882 -12.494   9.441
  101   2H5*    C  10          2H5*        C  10  -9.309 -14.207   9.589
  102    H4*    C  10           H4*        C  10 -10.624 -13.215   7.810
  103    H3*    C  10           H3*        C  10  -8.413 -15.020   6.755
  104    H2*    C  10           H2*        C  10  -9.440 -14.796   4.622
  105   2HO*    C  10          2HO*        C  10 -11.632 -14.845   5.688
  106    H1*    C  10           H1*        C  10  -9.887 -12.076   4.885
  107   1H4     C  10          1H4         C  10  -3.544 -13.086   3.131
  108   2H4     C  10          2H4         C  10  -4.491 -12.947   1.653
  109    H5     C  10           H5         C  10  -4.625 -13.126   5.360
  110    H6     C  10           H6         C  10  -6.739 -12.888   6.509
  111    H3T    C  10           H3T        C  10  -9.935 -16.072   8.065
  112   1H5*    G   1          1H5*        G   1  -6.539 -12.156  -8.901
  113   2H5*    G   1          2H5*        G   1  -7.213 -10.539  -9.164
  114    H4*    G   1           H4*        G   1  -8.846 -11.822  -7.963
  115    H3*    G   1           H3*        G   1  -7.414  -9.888  -6.112
  116    H2*    G   1           H2*        G   1  -9.025 -10.510  -4.458
  117   2HO*    G   1          2HO*        G   1 -10.746 -10.671  -6.167
  118    H1*    G   1           H1*        G   1  -8.849 -13.143  -4.928
  119    H8     G   1           H8         G   1  -5.353 -11.795  -5.376
  120    H1     G   1           H1         G   1  -7.083 -12.701   0.756
  121   1H2     G   1          1H2         G   1 -10.310 -12.781  -0.587
  122   2H2     G   1          2H2         G   1  -9.325 -12.782   0.876
  123    H5T    G   1           H5T        G   1  -5.911  -9.743  -7.539
  124   1H5*    C   2          1H5*        C   2 -11.456  -9.007  -5.412
  125   2H5*    C   2          2H5*        C   2 -11.645  -7.259  -5.203
  126    H4*    C   2           H4*        C   2 -12.392  -8.517  -3.215
  127    H3*    C   2           H3*        C   2  -9.939  -6.793  -2.814
  128    H2*    C   2           H2*        C   2 -10.181  -7.309  -0.457
  129   2HO*    C   2          2HO*        C   2 -12.581  -7.224  -0.659
  130    H1*    C   2           H1*        C   2 -10.671  -9.974  -0.860
  131   1H4     C   2          1H4         C   2  -4.103  -9.075  -1.314
  132   2H4     C   2          2H4         C   2  -4.494  -9.316   0.389
  133    H5     C   2           H5         C   2  -5.886  -8.863  -3.026
  134    H6     C   2           H6         C   2  -8.277  -8.951  -3.379
  135   1H5*    A   3          1H5*        A   3 -12.925  -5.595   0.103
  136   2H5*    A   3          2H5*        A   3 -12.817  -3.857   0.431
  137    H4*    A   3           H4*        A   3 -12.466  -5.367   2.440
  138    H3*    A   3           H3*        A   3 -10.280  -3.443   1.616
  139    H2*    A   3           H2*        A   3  -9.101  -4.138   3.597
  140   2HO*    A   3          2HO*        A   3 -11.182  -4.211   4.813
  141    H1*    A   3           H1*        A   3  -9.678  -6.821   3.315
  142    H8     A   3           H8         A   3  -8.819  -5.632  -0.153
  143   1H6     A   3          1H6         A   3  -2.940  -6.773   1.562
  144   2H6     A   3          2H6         A   3  -3.991  -6.411   0.192
  145    H2     A   3           H2         A   3  -5.387  -6.527   5.222
  146   1H5*    G   4          1H5*        G   4 -10.892  -2.372   5.802
  147   2H5*    G   4          2H5*        G   4 -10.636  -0.622   5.962
  148    H4*    G   4           H4*        G   4  -8.964  -1.975   7.236
  149    H3*    G   4           H3*        G   4  -7.887  -0.338   4.931
  150    H2*    G   4           H2*        G   4  -5.686  -1.036   5.616
  151   2HO*    G   4          2HO*        G   4  -5.715  -1.046   7.803
  152    H1*    G   4           H1*        G   4  -6.373  -3.656   5.923
  153    H8     G   4           H8         G   4  -8.213  -2.171   2.876
  154    H1     G   4           H1         G   4  -2.025  -3.649   1.890
  155   1H2     G   4          1H2         G   4  -1.055  -4.106   3.902
  156   2H2     G   4          2H2         G   4  -2.033  -4.107   5.358
  157   1H5*    G   5          1H5*        G   5  -5.877   0.414   8.973
  158   2H5*    G   5          2H5*        G   5  -5.288   2.082   9.029
  159    H4*    G   5           H4*        G   5  -3.584   0.322   9.641
  160    H3*    G   5           H3*        G   5  -2.983   2.137   7.289
  161    H2*    G   5           H2*        G   5  -0.759   1.149   7.347
  162   2HO*    G   5          2HO*        G   5  -0.897   1.023   9.775
  163    H1*    G   5           H1*        G   5  -1.672  -1.400   7.601
  164    H8     G   5           H8         G   5  -4.079   0.345   5.243
  165    H1     G   5           H1         G   5   1.407  -1.602   2.491
  166   1H2     G   5          1H2         G   5   2.588  -1.657   5.772
  167   2H2     G   5          2H2         G   5   2.975  -1.890   4.068
  168   1H5*    C   6          1H5*        C   6   0.409   2.273  10.004
  169   2H5*    C   6          2H5*        C   6   1.024   3.930  10.086
  170    H4*    C   6           H4*        C   6   2.771   2.310   9.404
  171    H3*    C   6           H3*        C   6   1.944   4.347   7.329
  172    H2*    C   6           H2*        C   6   3.822   3.599   6.045
  173   2HO*    C   6          2HO*        C   6   5.299   3.381   7.751
  174    H1*    C   6           H1*        C   6   3.351   0.926   6.530
  175   1H4     C   6          1H4         C   6  -0.900   2.564   1.719
  176   2H4     C   6          2H4         C   6   0.549   1.969   0.929
  177    H5     C   6           H5         C   6  -1.020   2.936   4.142
  178    H6     C   6           H6         C   6   0.172   2.711   6.217
  179   1H5*    G   7          1H5*        G   7   6.567   7.042   6.834
  180   2H5*    G   7          2H5*        G   7   5.293   6.449   5.746
  181    H4*    G   7           H4*        G   7   7.733   4.825   6.592
  182    H3*    G   7           H3*        G   7   7.097   6.457   4.122
  183    H2*    G   7           H2*        G   7   8.246   4.824   2.796
  184   2HO*    G   7          2HO*        G   7   9.812   4.559   4.719
  185    H1*    G   7           H1*        G   7   7.155   2.649   4.076
  186    H8     G   7           H8         G   7   7.040   3.022   1.294
  187    H1     G   7           H1         G   7   1.227   5.593   2.252
  188   1H2     G   7          1H2         G   7   1.056   6.286   4.438
  189   2H2     G   7          2H2         G   7   2.434   6.136   5.518
  190   1H5*    U   8          1H5*        U   8  10.820   5.589   3.056
  191   2H5*    U   8          2H5*        U   8  11.676   7.039   2.501
  192    H4*    U   8           H4*        U   8  11.450   5.391   0.695
  193    H3*    U   8           H3*        U   8   9.768   7.890   0.306
  194    H2*    U   8           H2*        U   8   9.413   7.032  -1.947
  195   2HO*    U   8          2HO*        U   8  11.666   6.139  -1.973
  196    H1*    U   8           H1*        U   8   8.851   4.526  -1.091
  197    H3     U   8           H3         U   8   4.810   6.252  -2.351
  198    H5     U   8           H5         U   8   5.580   8.025   1.382
  199    H6     U   8           H6         U   8   7.780   7.077   1.343
  200   1H5*    G   9          1H5*        G   9  12.273   7.425  -3.217
  201   2H5*    G   9          2H5*        G   9  12.945   9.008  -3.642
  202    H4*    G   9           H4*        G   9  11.846   7.958  -5.547
  203    H3*    G   9           H3*        G   9  10.493  10.451  -4.503
  204    H2*    G   9           H2*        G   9   9.084  10.297  -6.495
  205   2HO*    G   9          2HO*        G   9  11.057   9.404  -7.687
  206    H1*    G   9           H1*        G   9   8.553   7.704  -6.225
  207    H8     G   9           H8         G   9   8.917   8.775  -2.688
  208    H1     G   9           H1         G   9   3.215  10.281  -5.251
  209   1H2     G   9          1H2         G   9   4.894   9.765  -8.271
  210   2H2     G   9          2H2         G   9   3.406  10.304  -7.486
  211   1H5*    C  10          1H5*        C  10  10.655  11.244  -8.592
  212   2H5*    C  10          2H5*        C  10  11.296  12.879  -8.829
  213    H4*    C  10           H4*        C  10   9.104  12.736  -9.852
  214    H3*    C  10           H3*        C  10   9.074  14.332  -7.261
  215    H2*    C  10           H2*        C  10   6.850  14.950  -7.827
  216   2HO*    C  10          2HO*        C  10   7.500  15.078 -10.175
  217    H1*    C  10           H1*        C  10   6.117  12.410  -8.638
  218   1H4     C  10          1H4         C  10   5.909  12.702  -1.993
  219   2H4     C  10          2H4         C  10   4.334  13.206  -2.597
  220    H5     C  10           H5         C  10   7.801  12.259  -3.530
  221    H6     C  10           H6         C  10   8.424  12.077  -5.855
  222    H3T    C  10           H3T        C  10  10.389  15.205  -8.887
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1  -5.901  15.672  -1.815
    2   2H5*    G   1          2H5*        G   1  -6.797  14.430  -2.703
    3    H4*    G   1           H4*        G   1  -5.597  15.739  -4.309
    4    H3*    G   1           H3*        G   1  -4.260  13.059  -3.839
    5    H2*    G   1           H2*        G   1  -2.772  13.609  -5.618
    6   2HO*    G   1          2HO*        G   1  -4.604  14.712  -6.799
    7    H1*    G   1           H1*        G   1  -2.295  16.111  -4.816
    8    H8     G   1           H8         G   1  -2.606  14.113  -1.641
    9    H1     G   1           H1         G   1   3.091  13.564  -4.581
   10   1H2     G   1          1H2         G   1   1.334  14.826  -7.328
   11   2H2     G   1          2H2         G   1   2.851  14.143  -6.739
   12    H5T    G   1           H5T        G   1  -5.307  12.907  -2.063
   13   1H5*    C   2          1H5*        C   2  -4.506  13.188  -8.029
   14   2H5*    C   2          2H5*        C   2  -4.952  11.580  -8.618
   15    H4*    C   2           H4*        C   2  -2.784  12.330  -9.526
   16    H3*    C   2           H3*        C   2  -2.668   9.962  -7.651
   17    H2*    C   2           H2*        C   2  -0.339   9.768  -8.331
   18   2HO*    C   2          2HO*        C   2  -0.900  10.407 -10.578
   19    H1*    C   2           H1*        C   2   0.164  12.455  -8.148
   20   1H4     C   2          1H4         C   2   0.428  10.134  -1.944
   21   2H4     C   2          2H4         C   2   2.026   9.936  -2.663
   22    H5     C   2           H5         C   2  -1.508  10.881  -3.306
   23    H6     C   2           H6         C   2  -2.167  11.659  -5.500
   24   1H5*    A   3          1H5*        A   3  -0.913   8.856 -11.464
   25   2H5*    A   3          2H5*        A   3  -1.244   7.155 -11.835
   26    H4*    A   3           H4*        A   3   1.215   7.750 -11.692
   27    H3*    A   3           H3*        A   3   0.022   5.661  -9.867
   28    H2*    A   3           H2*        A   3   2.179   5.274  -8.966
   29   2HO*    A   3          2HO*        A   3   3.283   5.234 -10.970
   30    H1*    A   3           H1*        A   3   3.000   7.937  -8.988
   31    H8     A   3           H8         A   3  -0.497   7.713  -7.528
   32   1H6     A   3          1H6         A   3   2.516   6.931  -2.127
   33   2H6     A   3          2H6         A   3   0.935   7.208  -2.859
   34    H2     A   3           H2         A   3   5.411   6.290  -5.388
   35   1H5*    G   4          1H5*        G   4   2.561   1.242 -10.980
   36   2H5*    G   4          2H5*        G   4   1.746   2.043  -9.627
   37    H4*    G   4           H4*        G   4   4.714   2.215 -10.296
   38    H3*    G   4           H3*        G   4   3.049   0.837  -8.188
   39    H2*    G   4           H2*        G   4   4.679   1.318  -6.500
   40   2HO*    G   4          2HO*        G   4   6.456   1.002  -8.119
   41    H1*    G   4           H1*        G   4   4.984   3.926  -7.150
   42    H8     G   4           H8         G   4   1.360   3.428  -8.036
   43    H1     G   4           H1         G   4   2.430   3.718  -1.703
   44   1H2     G   4          1H2         G   4   5.784   3.335  -2.692
   45   2H2     G   4          2H2         G   4   4.684   3.450  -1.328
   46   1H5*    G   5          1H5*        G   5   7.132  -0.662  -7.556
   47   2H5*    G   5          2H5*        G   5   7.033  -2.410  -7.290
   48    H4*    G   5           H4*        G   5   8.246  -1.188  -5.488
   49    H3*    G   5           H3*        G   5   5.701  -2.641  -4.724
   50    H2*    G   5           H2*        G   5   6.304  -2.144  -2.429
   51   2HO*    G   5          2HO*        G   5   8.647  -2.453  -2.990
   52    H1*    G   5           H1*        G   5   6.975   0.444  -2.926
   53    H8     G   5           H8         G   5   3.930  -0.281  -5.073
   54    H1     G   5           H1         G   5   2.634   0.901   1.126
   55   1H2     G   5          1H2         G   5   6.013   0.153   1.570
   56   2H2     G   5          2H2         G   5   4.493   0.587   2.350
   57   1H5*    C   6          1H5*        C   6   8.840  -4.002  -1.977
   58   2H5*    C   6          2H5*        C   6   8.597  -5.729  -1.677
   59    H4*    C   6           H4*        C   6   8.591  -4.379   0.412
   60    H3*    C   6           H3*        C   6   6.002  -5.754  -0.334
   61    H2*    C   6           H2*        C   6   5.225  -5.129   1.852
   62   2HO*    C   6          2HO*        C   6   6.808  -5.330   3.262
   63    H1*    C   6           H1*        C   6   6.234  -2.580   1.712
   64   1H4     C   6          1H4         C   6   0.495  -2.500  -1.606
   65   2H4     C   6          2H4         C   6   0.142  -2.073   0.062
   66    H5     C   6           H5         C   6   2.739  -3.254  -2.312
   67    H6     C   6           H6         C   6   5.005  -3.618  -1.571
   68   1H5*    G   7          1H5*        G   7   7.664  -7.119   3.594
   69   2H5*    G   7          2H5*        G   7   7.130  -8.768   3.967
   70    H4*    G   7           H4*        G   7   6.594  -7.045   5.732
   71    H3*    G   7           H3*        G   7   4.247  -8.473   4.442
   72    H2*    G   7           H2*        G   7   2.931  -7.432   6.160
   73   2HO*    G   7          2HO*        G   7   4.798  -7.821   7.718
   74    H1*    G   7           H1*        G   7   4.382  -5.034   6.086
   75    H8     G   7           H8         G   7   1.800  -4.559   6.293
   76    H1     G   7           H1         G   7   0.906  -5.931   0.083
   77   1H2     G   7          1H2         G   7   4.063  -7.443   0.312
   78   2H2     G   7          2H2         G   7   2.711  -7.038  -0.724
   79   1H5*    U   8          1H5*        U   8   3.702  -9.020   8.710
   80   2H5*    U   8          2H5*        U   8   2.921 -10.583   8.975
   81    H4*    U   8           H4*        U   8   1.582  -8.638   9.782
   82    H3*    U   8           H3*        U   8   0.380 -10.316   7.564
   83    H2*    U   8           H2*        U   8  -1.657  -9.049   7.988
   84   2HO*    U   8          2HO*        U   8  -1.137  -9.002  10.352
   85    H1*    U   8           H1*        U   8  -0.400  -6.660   8.072
   86    H3     U   8           H3         U   8  -2.703  -6.662   4.129
   87    H5     U   8           H5         U   8   0.572  -9.196   3.399
   88    H6     U   8           H6         U   8   1.177  -9.032   5.712
   89   1H5*    G   9          1H5*        G   9  -2.467 -10.189  10.929
   90   2H5*    G   9          2H5*        G   9  -3.077 -11.832  11.181
   91    H4*    G   9           H4*        G   9  -4.894 -10.217  10.985
   92    H3*    G   9           H3*        G   9  -4.693 -12.254   8.765
   93    H2*    G   9           H2*        G   9  -6.820 -11.370   7.967
   94   2HO*    G   9          2HO*        G   9  -7.423 -11.017  10.340
   95    H1*    G   9           H1*        G   9  -6.151  -8.805   8.167
   96    H8     G   9           H8         G   9  -2.897 -10.387   7.329
   97    H1     G   9           H1         G   9  -6.733  -9.584   2.236
   98   1H2     G   9          1H2         G   9  -9.219  -9.262   4.670
   99   2H2     G   9          2H2         G   9  -8.850  -9.389   2.947
  100   1H5*    C  10          1H5*        C  10  -8.781 -12.477   9.662
  101   2H5*    C  10          2H5*        C  10  -9.204 -14.188   9.842
  102    H4*    C  10           H4*        C  10 -10.551 -13.223   8.072
  103    H3*    C  10           H3*        C  10  -8.356 -15.040   7.005
  104    H2*    C  10           H2*        C  10  -9.418 -14.845   4.886
  105   2HO*    C  10          2HO*        C  10 -11.592 -14.882   5.988
  106    H1*    C  10           H1*        C  10  -9.863 -12.122   5.120
  107   1H4     C  10          1H4         C  10  -3.547 -13.146   3.277
  108   2H4     C  10          2H4         C  10  -4.519 -13.027   1.812
  109    H5     C  10           H5         C  10  -4.593 -13.162   5.523
  110    H6     C  10           H6         C  10  -6.688 -12.912   6.703
  111    H3T    C  10           H3T        C  10  -9.855 -16.075   8.353
  112   1H5*    G   1          1H5*        G   1  -6.749 -12.471  -8.720
  113   2H5*    G   1          2H5*        G   1  -7.441 -10.865  -9.004
  114    H4*    G   1           H4*        G   1  -9.042 -12.135  -7.748
  115    H3*    G   1           H3*        G   1  -7.593 -10.154  -5.962
  116    H2*    G   1           H2*        G   1  -9.171 -10.754  -4.268
  117   2HO*    G   1          2HO*        G   1 -10.920 -10.964  -5.944
  118    H1*    G   1           H1*        G   1  -8.982 -13.394  -4.687
  119    H8     G   1           H8         G   1  -5.505 -12.032  -5.224
  120    H1     G   1           H1         G   1  -7.126 -12.808   0.956
  121   1H2     G   1          1H2         G   1 -10.374 -12.940  -0.331
  122   2H2     G   1          2H2         G   1  -9.365 -12.899   1.115
  123    H5T    G   1           H5T        G   1  -6.118 -10.026  -7.417
  124   1H5*    C   2          1H5*        C   2 -11.628  -9.296  -5.206
  125   2H5*    C   2          2H5*        C   2 -11.831  -7.546  -5.032
  126    H4*    C   2           H4*        C   2 -12.532  -8.764  -3.005
  127    H3*    C   2           H3*        C   2 -10.088  -7.010  -2.685
  128    H2*    C   2           H2*        C   2 -10.289  -7.472  -0.312
  129   2HO*    C   2          2HO*        C   2 -12.691  -7.412  -0.474
  130    H1*    C   2           H1*        C   2 -10.759 -10.150  -0.645
  131   1H4     C   2          1H4         C   2  -4.209  -9.216  -1.235
  132   2H4     C   2          2H4         C   2  -4.567  -9.418   0.479
  133    H5     C   2           H5         C   2  -6.023  -9.056  -2.919
  134    H6     C   2           H6         C   2  -8.419  -9.169  -3.227
  135   1H5*    A   3          1H5*        A   3 -13.047  -5.772   0.240
  136   2H5*    A   3          2H5*        A   3 -12.955  -4.025   0.525
  137    H4*    A   3           H4*        A   3 -12.561  -5.479   2.567
  138    H3*    A   3           H3*        A   3 -10.406  -3.557   1.663
  139    H2*    A   3           H2*        A   3  -9.194  -4.185   3.646
  140   2HO*    A   3          2HO*        A   3 -11.258  -4.246   4.891
  141    H1*    A   3           H1*        A   3  -9.750  -6.882   3.443
  142    H8     A   3           H8         A   3  -8.946  -5.770  -0.065
  143   1H6     A   3          1H6         A   3  -3.041  -6.857   1.596
  144   2H6     A   3          2H6         A   3  -4.112  -6.529   0.233
  145    H2     A   3           H2         A   3  -5.440  -6.534   5.283
  146   1H5*    G   4          1H5*        G   4 -10.982  -2.379   5.822
  147   2H5*    G   4          2H5*        G   4 -10.754  -0.621   5.927
  148    H4*    G   4           H4*        G   4  -9.045  -1.898   7.223
  149    H3*    G   4           H3*        G   4  -8.019  -0.336   4.843
  150    H2*    G   4           H2*        G   4  -5.801  -0.970   5.535
  151   2HO*    G   4          2HO*        G   4  -5.801  -0.895   7.718
  152    H1*    G   4           H1*        G   4  -6.445  -3.586   5.956
  153    H8     G   4           H8         G   4  -8.322  -2.215   2.874
  154    H1     G   4           H1         G   4  -2.149  -3.744   1.873
  155   1H2     G   4          1H2         G   4  -1.160  -4.148   3.887
  156   2H2     G   4          2H2         G   4  -2.120  -4.097   5.353
  157   1H5*    G   5          1H5*        G   5  -5.993   0.636   8.831
  158   2H5*    G   5          2H5*        G   5  -5.426   2.314   8.802
  159    H4*    G   5           H4*        G   5  -3.687   0.613   9.475
  160    H3*    G   5           H3*        G   5  -3.149   2.302   7.017
  161    H2*    G   5           H2*        G   5  -0.917   1.338   7.087
  162   2HO*    G   5          2HO*        G   5  -0.977   1.361   9.509
  163    H1*    G   5           H1*        G   5  -1.794  -1.202   7.520
  164    H8     G   5           H8         G   5  -4.216   0.419   5.074
  165    H1     G   5           H1         G   5   1.249  -1.699   2.404
  166   1H2     G   5          1H2         G   5   2.425  -1.643   5.688
  167   2H2     G   5          2H2         G   5   2.813  -1.933   3.993
  168   1H5*    C   6          1H5*        C   6   0.275   2.663   9.718
  169   2H5*    C   6          2H5*        C   6   0.942   4.299   9.622
  170    H4*    C   6           H4*        C   6   2.599   2.509   9.065
  171    H3*    C   6           H3*        C   6   1.877   4.446   6.854
  172    H2*    C   6           H2*        C   6   3.734   3.459   5.647
  173   2HO*    C   6          2HO*        C   6   5.193   3.163   7.328
  174    H1*    C   6           H1*        C   6   3.010   0.892   6.267
  175   1H4     C   6          1H4         C   6  -1.092   2.575   1.362
  176   2H4     C   6          2H4         C   6   0.343   1.895   0.615
  177    H5     C   6           H5         C   6  -1.217   3.043   3.779
  178    H6     C   6           H6         C   6  -0.042   2.848   5.871
  179   1H5*    G   7          1H5*        G   7   6.189   4.554   7.793
  180   2H5*    G   7          2H5*        G   7   6.902   6.133   7.434
  181    H4*    G   7           H4*        G   7   7.949   4.142   6.248
  182    H3*    G   7           H3*        G   7   6.782   6.348   4.519
  183    H2*    G   7           H2*        G   7   7.887   5.205   2.705
  184   2HO*    G   7          2HO*        G   7   9.753   4.736   4.237
  185    H1*    G   7           H1*        G   7   7.290   2.657   3.725
  186    H8     G   7           H8         G   7   7.008   2.941   1.060
  187    H1     G   7           H1         G   7   1.212   5.555   1.971
  188   1H2     G   7          1H2         G   7   1.039   6.310   4.104
  189   2H2     G   7          2H2         G   7   2.391   6.196   5.212
  190   1H5*    U   8          1H5*        U   8  10.895   5.847   3.248
  191   2H5*    U   8          2H5*        U   8  11.534   7.404   2.706
  192    H4*    U   8           H4*        U   8  11.533   5.651   0.935
  193    H3*    U   8           H3*        U   8   9.763   8.063   0.432
  194    H2*    U   8           H2*        U   8   9.595   7.167  -1.839
  195   2HO*    U   8          2HO*        U   8  11.883   6.376  -1.701
  196    H1*    U   8           H1*        U   8   9.078   4.652  -0.990
  197    H3     U   8           H3         U   8   5.036   6.177  -2.487
  198    H5     U   8           H5         U   8   5.516   7.994   1.274
  199    H6     U   8           H6         U   8   7.766   7.181   1.348
  200   1H5*    G   9          1H5*        G   9  12.459   7.719  -2.928
  201   2H5*    G   9          2H5*        G   9  13.075   9.326  -3.348
  202    H4*    G   9           H4*        G   9  12.082   8.212  -5.278
  203    H3*    G   9           H3*        G   9  10.592  10.651  -4.297
  204    H2*    G   9           H2*        G   9   9.233  10.413  -6.313
  205   2HO*    G   9          2HO*        G   9  11.263   9.614  -7.462
  206    H1*    G   9           H1*        G   9   8.813   7.803  -6.034
  207    H8     G   9           H8         G   9   9.058   8.927  -2.498
  208    H1     G   9           H1         G   9   3.345  10.165  -5.163
  209   1H2     G   9          1H2         G   9   5.086   9.715  -8.158
  210   2H2     G   9          2H2         G   9   3.576  10.218  -7.387
  211   1H5*    C  10          1H5*        C  10  10.846  11.466  -8.375
  212   2H5*    C  10          2H5*        C  10  11.358  13.149  -8.596
  213    H4*    C  10           H4*        C  10   9.173  12.776  -9.637
  214    H3*    C  10           H3*        C  10   9.128  14.522  -7.156
  215    H2*    C  10           H2*        C  10   6.834  14.921  -7.573
  216   2HO*    C  10          2HO*        C  10   5.843  14.274  -9.541
  217    H1*    C  10           H1*        C  10   6.231  12.309  -8.333
  218   1H4     C  10          1H4         C  10   6.066  12.616  -1.719
  219   2H4     C  10          2H4         C  10   4.462  13.044  -2.306
  220    H5     C  10           H5         C  10   7.974  12.306  -3.269
  221    H6     C  10           H6         C  10   8.587  12.167  -5.602
  222    H3T    C  10           H3T        C  10   8.658  15.290  -9.806
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1  -5.417  16.457  -1.762
    2   2H5*    G   1          2H5*        G   1  -6.403  15.263  -2.621
    3    H4*    G   1           H4*        G   1  -5.101  16.441  -4.254
    4    H3*    G   1           H3*        G   1  -3.937  13.689  -3.722
    5    H2*    G   1           H2*        G   1  -2.473  14.115  -5.567
    6   2HO*    G   1          2HO*        G   1  -4.257  15.298  -6.726
    7    H1*    G   1           H1*        G   1  -1.835  16.600  -4.805
    8    H8     G   1           H8         G   1  -2.176  14.633  -1.609
    9    H1     G   1           H1         G   1   3.419  13.770  -4.670
   10   1H2     G   1          1H2         G   1   1.681  15.124  -7.384
   11   2H2     G   1          2H2         G   1   3.173  14.371  -6.820
   12    H5T    G   1           H5T        G   1  -5.016  13.651  -1.949
   13   1H5*    C   2          1H5*        C   2  -4.317  13.756  -7.908
   14   2H5*    C   2          2H5*        C   2  -4.851  12.163  -8.462
   15    H4*    C   2           H4*        C   2  -2.693  12.820  -9.460
   16    H3*    C   2           H3*        C   2  -2.625  10.451  -7.588
   17    H2*    C   2           H2*        C   2  -0.330  10.145  -8.316
   18   2HO*    C   2          2HO*        C   2  -0.908  10.791 -10.552
   19    H1*    C   2           H1*        C   2   0.322  12.798  -8.165
   20   1H4     C   2          1H4         C   2   0.617  10.486  -1.959
   21   2H4     C   2          2H4         C   2   2.184  10.201  -2.714
   22    H5     C   2           H5         C   2  -1.307  11.336  -3.274
   23    H6     C   2           H6         C   2  -1.979  12.143  -5.453
   24   1H5*    A   3          1H5*        A   3  -1.020   9.230 -11.447
   25   2H5*    A   3          2H5*        A   3  -1.443   7.542 -11.781
   26    H4*    A   3           H4*        A   3   1.043   8.012 -11.708
   27    H3*    A   3           H3*        A   3  -0.186   6.031  -9.787
   28    H2*    A   3           H2*        A   3   1.992   5.559  -8.970
   29   2HO*    A   3          2HO*        A   3   3.024   5.448 -11.005
   30    H1*    A   3           H1*        A   3   2.907   8.181  -9.039
   31    H8     A   3           H8         A   3  -0.580   8.100  -7.522
   32   1H6     A   3          1H6         A   3   2.469   7.156  -2.167
   33   2H6     A   3          2H6         A   3   0.890   7.499  -2.874
   34    H2     A   3           H2         A   3   5.295   6.439  -5.469
   35   1H5*    G   4          1H5*        G   4   2.278   1.488 -10.961
   36   2H5*    G   4          2H5*        G   4   1.492   2.268  -9.579
   37    H4*    G   4           H4*        G   4   4.438   2.471 -10.329
   38    H3*    G   4           H3*        G   4   2.841   1.075  -8.185
   39    H2*    G   4           H2*        G   4   4.464   1.609  -6.510
   40   2HO*    G   4          2HO*        G   4   6.244   1.314  -8.123
   41    H1*    G   4           H1*        G   4   4.723   4.216  -7.177
   42    H8     G   4           H8         G   4   1.109   3.750  -8.056
   43    H1     G   4           H1         G   4   2.183   3.906  -1.715
   44   1H2     G   4          1H2         G   4   5.526   3.473  -2.727
   45   2H2     G   4          2H2         G   4   4.438   3.595  -1.352
   46   1H5*    G   5          1H5*        G   5   7.014  -0.291  -7.622
   47   2H5*    G   5          2H5*        G   5   6.973  -2.042  -7.363
   48    H4*    G   5           H4*        G   5   8.206  -0.782  -5.592
   49    H3*    G   5           H3*        G   5   5.750  -2.352  -4.773
   50    H2*    G   5           H2*        G   5   6.387  -1.853  -2.487
   51   2HO*    G   5          2HO*        G   5   8.731  -2.047  -3.134
   52    H1*    G   5           H1*        G   5   6.929   0.768  -2.965
   53    H8     G   5           H8         G   5   3.884  -0.029  -5.072
   54    H1     G   5           H1         G   5   2.630   0.947   1.169
   55   1H2     G   5          1H2         G   5   6.029   0.276   1.560
   56   2H2     G   5          2H2         G   5   4.504   0.637   2.367
   57   1H5*    C   6          1H5*        C   6   8.950  -3.602  -2.071
   58   2H5*    C   6          2H5*        C   6   8.805  -5.352  -1.840
   59    H4*    C   6           H4*        C   6   8.717  -4.124   0.308
   60    H3*    C   6           H3*        C   6   6.178  -5.526  -0.542
   61    H2*    C   6           H2*        C   6   5.325  -5.042   1.634
   62   2HO*    C   6          2HO*        C   6   7.136  -5.473   2.864
   63    H1*    C   6           H1*        C   6   6.295  -2.465   1.682
   64   1H4     C   6          1H4         C   6   0.588  -2.419  -1.720
   65   2H4     C   6          2H4         C   6   0.200  -2.061  -0.045
   66    H5     C   6           H5         C   6   2.861  -3.075  -2.424
   67    H6     C   6           H6         C   6   5.130  -3.388  -1.668
   68   1H5*    G   7          1H5*        G   7   6.829  -8.947   3.612
   69   2H5*    G   7          2H5*        G   7   5.133  -8.894   3.076
   70    H4*    G   7           H4*        G   7   6.509  -7.373   5.280
   71    H3*    G   7           H3*        G   7   3.771  -8.589   4.805
   72    H2*    G   7           H2*        G   7   2.896  -7.179   6.511
   73   2HO*    G   7          2HO*        G   7   5.047  -7.529   7.718
   74    H1*    G   7           H1*        G   7   4.357  -4.945   5.784
   75    H8     G   7           H8         G   7   1.604  -4.818   6.216
   76    H1     G   7           H1         G   7   0.934  -5.722  -0.111
   77   1H2     G   7          1H2         G   7   2.818  -6.680  -0.952
   78   2H2     G   7          2H2         G   7   4.145  -7.129   0.102
   79   1H5*    U   8          1H5*        U   8   3.547  -8.556   8.862
   80   2H5*    U   8          2H5*        U   8   2.875 -10.100   9.413
   81    H4*    U   8           H4*        U   8   1.406  -8.225  10.001
   82    H3*    U   8           H3*        U   8   0.286 -10.087   7.882
   83    H2*    U   8           H2*        U   8  -1.797  -8.873   8.208
   84   2HO*    U   8          2HO*        U   8  -1.308  -8.652  10.568
   85    H1*    U   8           H1*        U   8  -0.615  -6.441   8.142
   86    H3     U   8           H3         U   8  -2.819  -6.735   4.159
   87    H5     U   8           H5         U   8   0.541  -9.213   3.655
   88    H6     U   8           H6         U   8   1.070  -8.915   5.973
   89   1H5*    G   9          1H5*        G   9  -2.635  -9.878  11.157
   90   2H5*    G   9          2H5*        G   9  -3.199 -11.526  11.476
   91    H4*    G   9           H4*        G   9  -5.061  -9.997  11.135
   92    H3*    G   9           H3*        G   9  -4.716 -12.110   9.006
   93    H2*    G   9           H2*        G   9  -6.854 -11.335   8.125
   94   2HO*    G   9          2HO*        G   9  -7.545 -10.918  10.455
   95    H1*    G   9           H1*        G   9  -6.271  -8.746   8.234
   96    H8     G   9           H8         G   9  -2.956 -10.291   7.546
   97    H1     G   9           H1         G   9  -6.693  -9.803   2.337
   98   1H2     G   9          1H2         G   9  -9.232  -9.384   4.700
   99   2H2     G   9          2H2         G   9  -8.829  -9.596   2.993
  100   1H5*    C  10          1H5*        C  10  -8.837 -12.447   9.892
  101   2H5*    C  10          2H5*        C  10  -9.223 -14.170  10.050
  102    H4*    C  10           H4*        C  10 -10.558 -13.132   8.271
  103    H3*    C  10           H3*        C  10  -8.461 -15.114   7.331
  104    H2*    C  10           H2*        C  10  -9.368 -14.901   5.152
  105   2HO*    C  10          2HO*        C  10 -11.342 -13.798   4.777
  106    H1*    C  10           H1*        C  10  -9.771 -12.144   5.300
  107   1H4     C  10          1H4         C  10  -3.470 -13.283   3.566
  108   2H4     C  10          2H4         C  10  -4.422 -13.229   2.085
  109    H5     C  10           H5         C  10  -4.541 -13.217   5.798
  110    H6     C  10           H6         C  10  -6.655 -12.928   6.944
  111    H3T    C  10           H3T        C  10 -11.245 -15.417   7.309
  112   1H5*    G   1          1H5*        G   1  -6.484 -13.083  -8.488
  113   2H5*    G   1          2H5*        G   1  -7.195 -11.502  -8.851
  114    H4*    G   1           H4*        G   1  -8.796 -12.741  -7.565
  115    H3*    G   1           H3*        G   1  -7.404 -10.663  -5.845
  116    H2*    G   1           H2*        G   1  -8.999 -11.216  -4.149
  117   2HO*    G   1          2HO*        G   1 -10.718 -11.523  -5.838
  118    H1*    G   1           H1*        G   1  -8.763 -13.868  -4.452
  119    H8     G   1           H8         G   1  -5.300 -12.470  -4.998
  120    H1     G   1           H1         G   1  -6.987 -13.058   1.185
  121   1H2     G   1          1H2         G   1 -10.216 -13.278  -0.136
  122   2H2     G   1          2H2         G   1  -9.225 -13.173   1.320
  123    H5T    G   1           H5T        G   1  -5.909 -10.575  -7.282
  124   1H5*    C   2          1H5*        C   2 -11.475  -9.835  -5.207
  125   2H5*    C   2          2H5*        C   2 -11.706  -8.082  -5.104
  126    H4*    C   2           H4*        C   2 -12.434  -9.238  -3.047
  127    H3*    C   2           H3*        C   2 -10.026  -7.432  -2.741
  128    H2*    C   2           H2*        C   2 -10.268  -7.810  -0.359
  129   2HO*    C   2          2HO*        C   2 -12.666  -7.794  -0.567
  130    H1*    C   2           H1*        C   2 -10.693 -10.506  -0.602
  131   1H4     C   2          1H4         C   2  -4.145  -9.504  -1.081
  132   2H4     C   2          2H4         C   2  -4.534  -9.657   0.631
  133    H5     C   2           H5         C   2  -5.921  -9.420  -2.806
  134    H6     C   2           H6         C   2  -8.307  -9.575  -3.165
  135   1H5*    A   3          1H5*        A   3 -13.070  -6.124   0.083
  136   2H5*    A   3          2H5*        A   3 -12.997  -4.368   0.309
  137    H4*    A   3           H4*        A   3 -12.635  -5.750   2.406
  138    H3*    A   3           H3*        A   3 -10.480  -3.834   1.489
  139    H2*    A   3           H2*        A   3  -9.299  -4.397   3.508
  140   2HO*    A   3          2HO*        A   3 -11.378  -4.441   4.724
  141    H1*    A   3           H1*        A   3  -9.818  -7.099   3.378
  142    H8     A   3           H8         A   3  -8.968  -6.074  -0.150
  143   1H6     A   3          1H6         A   3  -3.077  -7.015   1.648
  144   2H6     A   3          2H6         A   3  -4.127  -6.748   0.255
  145    H2     A   3           H2         A   3  -5.548  -6.625   5.278
  146   1H5*    G   4          1H5*        G   4 -11.131  -2.555   5.621
  147   2H5*    G   4          2H5*        G   4 -10.885  -0.798   5.695
  148    H4*    G   4           H4*        G   4  -9.211  -2.092   7.037
  149    H3*    G   4           H3*        G   4  -8.135  -0.528   4.683
  150    H2*    G   4           H2*        G   4  -5.929  -1.189   5.398
  151   2HO*    G   4          2HO*        G   4  -5.919  -1.168   7.569
  152    H1*    G   4           H1*        G   4  -6.597  -3.801   5.775
  153    H8     G   4           H8         G   4  -8.462  -2.457   2.682
  154    H1     G   4           H1         G   4  -2.244  -3.836   1.748
  155   1H2     G   4          1H2         G   4  -2.247  -4.165   5.233
  156   2H2     G   4          2H2         G   4  -1.270  -4.221   3.778
  157   1H5*    G   5          1H5*        G   5  -6.146   0.325   8.696
  158   2H5*    G   5          2H5*        G   5  -5.548   1.990   8.727
  159    H4*    G   5           H4*        G   5  -3.860   0.216   9.373
  160    H3*    G   5           H3*        G   5  -3.238   2.024   7.023
  161    H2*    G   5           H2*        G   5  -1.014   1.030   7.100
  162   2HO*    G   5          2HO*        G   5  -1.167   0.920   9.526
  163    H1*    G   5           H1*        G   5  -1.932  -1.517   7.374
  164    H8     G   5           H8         G   5  -4.300   0.196   4.956
  165    H1     G   5           H1         G   5   1.238  -1.758   2.310
  166   1H2     G   5          1H2         G   5   2.352  -1.827   5.613
  167   2H2     G   5          2H2         G   5   2.777  -2.038   3.915
  168   1H5*    C   6          1H5*        C   6   0.129   2.170   9.790
  169   2H5*    C   6          2H5*        C   6   0.754   3.823   9.864
  170    H4*    C   6           H4*        C   6   2.495   2.179   9.210
  171    H3*    C   6           H3*        C   6   1.708   4.220   7.124
  172    H2*    C   6           H2*        C   6   3.579   3.446   5.846
  173   2HO*    C   6          2HO*        C   6   5.045   3.216   7.563
  174    H1*    C   6           H1*        C   6   3.076   0.779   6.336
  175   1H4     C   6          1H4         C   6  -1.125   2.464   1.498
  176   2H4     C   6          2H4         C   6   0.326   1.860   0.719
  177    H5     C   6           H5         C   6  -1.261   2.833   3.924
  178    H6     C   6           H6         C   6  -0.080   2.598   6.006
  179   1H5*    G   7          1H5*        G   7   6.360   6.846   6.618
  180   2H5*    G   7          2H5*        G   7   5.071   6.282   5.533
  181    H4*    G   7           H4*        G   7   7.468   4.589   6.364
  182    H3*    G   7           H3*        G   7   6.934   6.322   3.943
  183    H2*    G   7           H2*        G   7   8.025   4.693   2.563
  184   2HO*    G   7          2HO*        G   7   9.553   4.291   4.498
  185    H1*    G   7           H1*        G   7   6.838   2.514   3.746
  186    H8     G   7           H8         G   7   6.780   3.101   0.969
  187    H1     G   7           H1         G   7   0.936   5.532   2.085
  188   1H2     G   7          1H2         G   7   0.770   6.117   4.304
  189   2H2     G   7          2H2         G   7   2.162   5.942   5.363
  190   1H5*    U   8          1H5*        U   8  10.690   5.319   2.964
  191   2H5*    U   8          2H5*        U   8  11.623   6.748   2.484
  192    H4*    U   8           H4*        U   8  11.411   5.152   0.629
  193    H3*    U   8           H3*        U   8   9.847   7.726   0.231
  194    H2*    U   8           H2*        U   8   9.564   6.933  -2.058
  195   2HO*    U   8          2HO*        U   8  11.779   5.943  -1.996
  196    H1*    U   8           H1*        U   8   8.854   4.440  -1.288
  197    H3     U   8           H3         U   8   4.919   6.345  -2.629
  198    H5     U   8           H5         U   8   5.623   7.957   1.190
  199    H6     U   8           H6         U   8   7.802   6.970   1.171
  200   1H5*    G   9          1H5*        G   9  12.438   7.261  -3.202
  201   2H5*    G   9          2H5*        G   9  13.168   8.827  -3.590
  202    H4*    G   9           H4*        G   9  12.051   7.849  -5.526
  203    H3*    G   9           H3*        G   9  10.779  10.370  -4.449
  204    H2*    G   9           H2*        G   9   9.372  10.298  -6.448
  205   2HO*    G   9          2HO*        G   9  11.322   9.361  -7.646
  206    H1*    G   9           H1*        G   9   8.755   7.719  -6.231
  207    H8     G   9           H8         G   9   9.141   8.747  -2.675
  208    H1     G   9           H1         G   9   3.468  10.384  -5.214
  209   1H2     G   9          1H2         G   9   5.134   9.902  -8.246
  210   2H2     G   9          2H2         G   9   3.663  10.460  -7.442
  211   1H5*    C  10          1H5*        C  10  10.980  11.254  -8.503
  212   2H5*    C  10          2H5*        C  10  11.666  12.876  -8.703
  213    H4*    C  10           H4*        C  10   9.460  12.828  -9.707
  214    H3*    C  10           H3*        C  10   9.499  14.344  -7.069
  215    H2*    C  10           H2*        C  10   7.284  15.033  -7.584
  216   2HO*    C  10          2HO*        C  10   7.907  15.217  -9.936
  217    H1*    C  10           H1*        C  10   6.476  12.539  -8.461
  218   1H4     C  10          1H4         C  10   6.365  12.597  -1.811
  219   2H4     C  10          2H4         C  10   4.788  13.143  -2.375
  220    H5     C  10           H5         C  10   8.233  12.192  -3.385
  221    H6     C  10           H6         C  10   8.822  12.079  -5.722
  222    H3T    C  10           H3T        C  10  10.815  15.233  -8.686
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1  -6.605  14.989  -2.257
    2   2H5*    G   1          2H5*        G   1  -7.331  13.666  -3.183
    3    H4*    G   1           H4*        G   1  -6.171  15.072  -4.734
    4    H3*    G   1           H3*        G   1  -4.603  12.542  -4.160
    5    H2*    G   1           H2*        G   1  -3.089  13.225  -5.870
    6   2HO*    G   1          2HO*        G   1  -4.947  14.129  -7.161
    7    H1*    G   1           H1*        G   1  -2.900  15.765  -5.062
    8    H8     G   1           H8         G   1  -3.197  13.731  -1.900
    9    H1     G   1           H1         G   1   2.696  13.793  -4.485
   10   1H2     G   1          1H2         G   1   0.998  14.915  -7.327
   11   2H2     G   1          2H2         G   1   2.537  14.391  -6.645
   12    H5T    G   1           H5T        G   1  -5.743  12.290  -2.452
   13   1H5*    C   2          1H5*        C   2  -4.670  12.583  -8.361
   14   2H5*    C   2          2H5*        C   2  -4.905  10.924  -8.936
   15    H4*    C   2           H4*        C   2  -2.791  11.900  -9.753
   16    H3*    C   2           H3*        C   2  -2.493   9.597  -7.813
   17    H2*    C   2           H2*        C   2  -0.134   9.663  -8.385
   18   2HO*    C   2          2HO*        C   2  -0.628  10.177 -10.665
   19    H1*    C   2           H1*        C   2   0.046  12.393  -8.233
   20   1H4     C   2          1H4         C   2   0.264  10.030  -2.024
   21   2H4     C   2          2H4         C   2   1.909  10.017  -2.658
   22    H5     C   2           H5         C   2  -1.668  10.608  -3.467
   23    H6     C   2           H6         C   2  -2.302  11.347  -5.681
   24   1H5*    A   3          1H5*        A   3  -0.425   8.586 -11.531
   25   2H5*    A   3          2H5*        A   3  -0.493   6.838 -11.816
   26    H4*    A   3           H4*        A   3   1.839   7.833 -11.617
   27    H3*    A   3           H3*        A   3   0.951   5.616  -9.766
   28    H2*    A   3           H2*        A   3   3.175   5.613  -8.860
   29   2HO*    A   3          2HO*        A   3   4.081   5.956 -11.063
   30    H1*    A   3           H1*        A   3   3.451   8.354  -8.791
   31    H8     A   3           H8         A   3  -0.048   7.647  -7.558
   32   1H6     A   3          1H6         A   3   2.710   7.014  -2.007
   33   2H6     A   3          2H6         A   3   1.156   7.176  -2.829
   34    H2     A   3           H2         A   3   5.832   6.715  -5.106
   35   1H5*    G   4          1H5*        G   4   4.666   3.956 -11.427
   36   2H5*    G   4          2H5*        G   4   4.434   2.201 -11.561
   37    H4*    G   4           H4*        G   4   6.234   2.839  -9.941
   38    H3*    G   4           H3*        G   4   3.800   1.439  -8.822
   39    H2*    G   4           H2*        G   4   4.883   1.446  -6.684
   40   2HO*    G   4          2HO*        G   4   6.995   1.011  -7.129
   41    H1*    G   4           H1*        G   4   5.729   4.033  -6.838
   42    H8     G   4           H8         G   4   2.175   3.622  -8.316
   43    H1     G   4           H1         G   4   2.494   3.764  -1.887
   44   1H2     G   4          1H2         G   4   5.937   3.574  -2.495
   45   2H2     G   4          2H2         G   4   4.687   3.600  -1.264
   46   1H5*    G   5          1H5*        G   5   7.890  -0.551  -7.846
   47   2H5*    G   5          2H5*        G   5   7.609  -2.287  -7.635
   48    H4*    G   5           H4*        G   5   8.912  -1.181  -5.778
   49    H3*    G   5           H3*        G   5   6.307  -2.567  -5.104
   50    H2*    G   5           H2*        G   5   6.896  -2.181  -2.777
   51   2HO*    G   5          2HO*        G   5   9.240  -2.530  -3.338
   52    H1*    G   5           H1*        G   5   7.644   0.401  -3.155
   53    H8     G   5           H8         G   5   4.619  -0.211  -5.384
   54    H1     G   5           H1         G   5   3.199   0.810   0.811
   55   1H2     G   5          1H2         G   5   6.543  -0.045   1.316
   56   2H2     G   5          2H2         G   5   5.005   0.375   2.069
   57   1H5*    C   6          1H5*        C   6   9.350  -4.080  -2.344
   58   2H5*    C   6          2H5*        C   6   9.081  -5.812  -2.112
   59    H4*    C   6           H4*        C   6   9.059  -4.551   0.024
   60    H3*    C   6           H3*        C   6   6.475  -5.863  -0.819
   61    H2*    C   6           H2*        C   6   5.627  -5.333   1.352
   62   2HO*    C   6          2HO*        C   6   7.494  -5.827   2.541
   63    H1*    C   6           H1*        C   6   6.669  -2.784   1.377
   64   1H4     C   6          1H4         C   6   1.109  -2.431  -2.219
   65   2H4     C   6          2H4         C   6   0.674  -2.068  -0.556
   66    H5     C   6           H5         C   6   3.362  -3.212  -2.839
   67    H6     C   6           H6         C   6   5.572  -3.667  -2.001
   68   1H5*    G   7          1H5*        G   7   5.887  -9.370   3.193
   69   2H5*    G   7          2H5*        G   7   4.833  -8.270   2.281
   70    H4*    G   7           H4*        G   7   6.365  -7.456   4.789
   71    H3*    G   7           H3*        G   7   3.578  -8.542   4.375
   72    H2*    G   7           H2*        G   7   2.733  -7.023   6.015
   73   2HO*    G   7          2HO*        G   7   4.895  -7.355   7.222
   74    H1*    G   7           H1*        G   7   4.181  -4.849   5.161
   75    H8     G   7           H8         G   7   1.348  -4.907   5.473
   76    H1     G   7           H1         G   7   1.189  -5.835  -0.887
   77   1H2     G   7          1H2         G   7   4.400  -7.192  -0.376
   78   2H2     G   7          2H2         G   7   3.174  -6.777  -1.565
   79   1H5*    U   8          1H5*        U   8   3.526  -8.356   8.474
   80   2H5*    U   8          2H5*        U   8   2.851  -9.859   9.127
   81    H4*    U   8           H4*        U   8   1.461  -7.920   9.717
   82    H3*    U   8           H3*        U   8   0.190  -9.847   7.748
   83    H2*    U   8           H2*        U   8  -1.848  -8.578   8.121
   84   2HO*    U   8          2HO*        U   8  -1.231  -8.268  10.443
   85    H1*    U   8           H1*        U   8  -0.620  -6.174   7.891
   86    H3     U   8           H3         U   8  -3.040  -6.582   4.053
   87    H5     U   8           H5         U   8   0.209  -9.186   3.481
   88    H6     U   8           H6         U   8   0.878  -8.796   5.750
   89   1H5*    G   9          1H5*        G   9  -2.575  -9.481  11.126
   90   2H5*    G   9          2H5*        G   9  -3.107 -11.118  11.544
   91    H4*    G   9           H4*        G   9  -5.003  -9.639  11.233
   92    H3*    G   9           H3*        G   9  -4.727 -11.799   9.140
   93    H2*    G   9           H2*        G   9  -6.915 -11.076   8.350
   94   2HO*    G   9          2HO*        G   9  -7.501 -10.606  10.698
   95    H1*    G   9           H1*        G   9  -6.358  -8.477   8.363
   96    H8     G   9           H8         G   9  -3.061  -9.997   7.554
   97    H1     G   9           H1         G   9  -7.101  -9.774   2.552
   98   1H2     G   9          1H2         G   9  -9.494  -9.296   5.052
   99   2H2     G   9          2H2         G   9  -9.202  -9.566   3.331
  100   1H5*    C  10          1H5*        C  10  -8.811 -12.129  10.249
  101   2H5*    C  10          2H5*        C  10  -9.171 -13.848  10.483
  102    H4*    C  10           H4*        C  10 -10.633 -12.866   8.772
  103    H3*    C  10           H3*        C  10  -8.600 -14.874   7.751
  104    H2*    C  10           H2*        C  10  -9.673 -14.742   5.643
  105   2HO*    C  10          2HO*        C  10 -11.677 -13.657   5.382
  106    H1*    C  10           H1*        C  10 -10.082 -11.981   5.727
  107   1H4     C  10          1H4         C  10  -3.933 -13.193   3.543
  108   2H4     C  10          2H4         C  10  -4.999 -13.215   2.142
  109    H5     C  10           H5         C  10  -4.824 -13.009   5.847
  110    H6     C  10           H6         C  10  -6.843 -12.669   7.143
  111    H3T    C  10           H3T        C  10 -11.376 -15.187   7.954
  112   1H5*    G   1          1H5*        G   1  -7.841 -12.883  -8.242
  113   2H5*    G   1          2H5*        G   1  -8.513 -11.271  -8.534
  114    H4*    G   1           H4*        G   1 -10.071 -12.462  -7.157
  115    H3*    G   1           H3*        G   1  -8.474 -10.482  -5.501
  116    H2*    G   1           H2*        G   1  -9.977 -11.001  -3.712
  117   2HO*    G   1          2HO*        G   1 -11.821 -11.193  -5.268
  118    H1*    G   1           H1*        G   1  -9.870 -13.652  -4.072
  119    H8     G   1           H8         G   1  -6.402 -12.362  -4.847
  120    H1     G   1           H1         G   1  -7.633 -13.064   1.431
  121   1H2     G   1          1H2         G   1 -10.958 -13.167   0.362
  122   2H2     G   1          2H2         G   1  -9.854 -13.120   1.737
  123    H5T    G   1           H5T        G   1  -7.088 -10.418  -7.046
  124   1H5*    C   2          1H5*        C   2 -12.464  -9.436  -4.626
  125   2H5*    C   2          2H5*        C   2 -12.584  -7.679  -4.447
  126    H4*    C   2           H4*        C   2 -13.256  -8.883  -2.396
  127    H3*    C   2           H3*        C   2 -10.732  -7.225  -2.153
  128    H2*    C   2           H2*        C   2 -10.871  -7.703   0.221
  129   2HO*    C   2          2HO*        C   2 -13.277  -7.575   0.144
  130    H1*    C   2           H1*        C   2 -11.416 -10.358  -0.121
  131   1H4     C   2          1H4         C   2  -4.879  -9.505  -0.990
  132   2H4     C   2          2H4         C   2  -5.151  -9.709   0.738
  133    H5     C   2           H5         C   2  -6.758  -9.315  -2.587
  134    H6     C   2           H6         C   2  -9.165  -9.390  -2.792
  135   1H5*    A   3          1H5*        A   3 -13.547  -5.948   0.887
  136   2H5*    A   3          2H5*        A   3 -13.399  -4.224   1.257
  137    H4*    A   3           H4*        A   3 -13.027  -5.890   3.177
  138    H3*    A   3           H3*        A   3 -11.046  -3.734   2.526
  139    H2*    A   3           H2*        A   3  -9.626  -4.483   4.279
  140   2HO*    A   3          2HO*        A   3 -11.291  -4.703   5.812
  141    H1*    A   3           H1*        A   3 -10.017  -7.155   3.897
  142    H8     A   3           H8         A   3  -9.537  -6.078   0.390
  143   1H6     A   3          1H6         A   3  -3.539  -7.114   1.669
  144   2H6     A   3          2H6         A   3  -4.717  -6.903   0.374
  145    H2     A   3           H2         A   3  -5.630  -6.415   5.493
  146   1H5*    G   4          1H5*        G   4 -10.659   0.190   4.789
  147   2H5*    G   4          2H5*        G   4  -9.999  -0.002   3.161
  148    H4*    G   4           H4*        G   4  -9.193  -1.508   5.680
  149    H3*    G   4           H3*        G   4  -7.731   0.029   3.510
  150    H2*    G   4           H2*        G   4  -5.772  -1.098   4.220
  151   2HO*    G   4          2HO*        G   4  -5.926  -0.952   6.441
  152    H1*    G   4           H1*        G   4  -7.193  -3.504   4.749
  153    H8     G   4           H8         G   4  -8.371  -2.922   1.430
  154    H1     G   4           H1         G   4  -2.043  -4.097   1.299
  155   1H2     G   4          1H2         G   4  -1.290  -4.198   3.473
  156   2H2     G   4          2H2         G   4  -2.406  -3.889   4.793
  157   1H5*    G   5          1H5*        G   5  -5.977   0.394   7.743
  158   2H5*    G   5          2H5*        G   5  -5.257   2.004   7.911
  159    H4*    G   5           H4*        G   5  -3.783   0.116   8.693
  160    H3*    G   5           H3*        G   5  -2.813   1.901   6.446
  161    H2*    G   5           H2*        G   5  -0.688   0.745   6.656
  162   2HO*    G   5          2HO*        G   5  -1.059   0.595   9.069
  163    H1*    G   5           H1*        G   5  -1.788  -1.734   6.770
  164    H8     G   5           H8         G   5  -3.949   0.131   4.298
  165    H1     G   5           H1         G   5   1.653  -1.889   1.862
  166   1H2     G   5          1H2         G   5   2.610  -2.090   5.209
  167   2H2     G   5          2H2         G   5   3.106  -2.262   3.525
  168   1H5*    C   6          1H5*        C   6   0.390   1.803   9.327
  169   2H5*    C   6          2H5*        C   6   1.078   3.427   9.485
  170    H4*    C   6           H4*        C   6   2.777   1.756   8.810
  171    H3*    C   6           H3*        C   6   2.097   3.855   6.735
  172    H2*    C   6           H2*        C   6   4.020   3.015   5.530
  173   2HO*    C   6          2HO*        C   6   5.435   2.614   7.215
  174    H1*    C   6           H1*        C   6   3.337   0.390   5.911
  175   1H4     C   6          1H4         C   6  -0.617   2.417   1.007
  176   2H4     C   6          2H4         C   6   0.854   1.807   0.266
  177    H5     C   6           H5         C   6  -0.833   2.690   3.449
  178    H6     C   6           H6         C   6   0.264   2.330   5.560
  179   1H5*    G   7          1H5*        G   7   6.361   4.029   7.881
  180   2H5*    G   7          2H5*        G   7   7.015   5.665   7.691
  181    H4*    G   7           H4*        G   7   8.225   3.867   6.389
  182    H3*    G   7           H3*        G   7   6.931   6.086   4.768
  183    H2*    G   7           H2*        G   7   8.163   5.155   2.924
  184   2HO*    G   7          2HO*        G   7  10.026   4.740   4.484
  185    H1*    G   7           H1*        G   7   7.758   2.506   3.770
  186    H8     G   7           H8         G   7   7.503   2.831   1.135
  187    H1     G   7           H1         G   7   1.625   5.299   1.921
  188   1H2     G   7          1H2         G   7   1.346   5.938   4.082
  189   2H2     G   7          2H2         G   7   2.646   5.783   5.244
  190   1H5*    U   8          1H5*        U   8  11.036   6.018   3.495
  191   2H5*    U   8          2H5*        U   8  11.546   7.659   3.082
  192    H4*    U   8           H4*        U   8  11.672   6.065   1.172
  193    H3*    U   8           H3*        U   8   9.708   8.357   0.877
  194    H2*    U   8           H2*        U   8   9.581   7.643  -1.454
  195   2HO*    U   8          2HO*        U   8  11.926   7.045  -1.413
  196    H1*    U   8           H1*        U   8   9.305   5.026  -0.825
  197    H3     U   8           H3         U   8   5.180   6.385  -2.262
  198    H5     U   8           H5         U   8   5.479   7.927   1.638
  199    H6     U   8           H6         U   8   7.770   7.220   1.710
  200   1H5*    G   9          1H5*        G   9  12.491   8.453  -2.492
  201   2H5*    G   9          2H5*        G   9  12.984  10.130  -2.772
  202    H4*    G   9           H4*        G   9  12.164   9.072  -4.814
  203    H3*    G   9           H3*        G   9  10.462  11.330  -3.747
  204    H2*    G   9           H2*        G   9   9.216  11.142  -5.842
  205   2HO*    G   9          2HO*        G   9  11.355  10.550  -6.931
  206    H1*    G   9           H1*        G   9   8.970   8.495  -5.754
  207    H8     G   9           H8         G   9   8.970   9.360  -2.145
  208    H1     G   9           H1         G   9   3.321  10.428  -5.023
  209   1H2     G   9          1H2         G   9   5.238  10.293  -7.939
  210   2H2     G   9          2H2         G   9   3.654  10.623  -7.230
  211   1H5*    C  10          1H5*        C  10  10.803  12.397  -7.753
  212   2H5*    C  10          2H5*        C  10  11.273  14.102  -7.851
  213    H4*    C  10           H4*        C  10   9.178  13.795  -9.029
  214    H3*    C  10           H3*        C  10   8.810  15.202  -6.356
  215    H2*    C  10           H2*        C  10   6.569  15.612  -7.032
  216   2HO*    C  10          2HO*        C  10   7.341  15.967  -9.319
  217    H1*    C  10           H1*        C  10   6.175  13.068  -8.042
  218   1H4     C  10          1H4         C  10   5.537  12.887  -1.420
  219   2H4     C  10          2H4         C  10   3.955  13.263  -2.097
  220    H5     C  10           H5         C  10   7.556  12.752  -2.851
  221    H6     C  10           H6         C  10   8.334  12.795  -5.136
  222    H3T    C  10           H3T        C  10  10.115  16.319  -7.834
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1  -6.064  15.540  -1.848
    2   2H5*    G   1          2H5*        G   1  -6.939  14.278  -2.730
    3    H4*    G   1           H4*        G   1  -5.703  15.566  -4.332
    4    H3*    G   1           H3*        G   1  -4.348  12.903  -3.798
    5    H2*    G   1           H2*        G   1  -2.884  13.452  -5.609
    6   2HO*    G   1          2HO*        G   1  -4.731  14.506  -6.794
    7    H1*    G   1           H1*        G   1  -2.450  15.974  -4.826
    8    H8     G   1           H8         G   1  -2.689  13.976  -1.642
    9    H1     G   1           H1         G   1   2.992  13.521  -4.631
   10   1H2     G   1          1H2         G   1   1.194  14.749  -7.367
   11   2H2     G   1          2H2         G   1   2.727  14.096  -6.787
   12    H5T    G   1           H5T        G   1  -5.445  12.774  -2.039
   13   1H5*    C   2          1H5*        C   2  -4.645  12.973  -7.989
   14   2H5*    C   2          2H5*        C   2  -5.051  11.349  -8.563
   15    H4*    C   2           H4*        C   2  -2.923  12.166  -9.508
   16    H3*    C   2           H3*        C   2  -2.730   9.792  -7.653
   17    H2*    C   2           H2*        C   2  -0.400   9.657  -8.326
   18   2HO*    C   2          2HO*        C   2  -0.986  10.291 -10.572
   19    H1*    C   2           H1*        C   2   0.056  12.348  -8.142
   20   1H4     C   2          1H4         C   2   0.375  10.052  -1.936
   21   2H4     C   2          2H4         C   2   1.973   9.878  -2.661
   22    H5     C   2           H5         C   2  -1.579  10.761  -3.296
   23    H6     C   2           H6         C   2  -2.257  11.520  -5.491
   24   1H5*    A   3          1H5*        A   3  -0.945   8.742 -11.467
   25   2H5*    A   3          2H5*        A   3  -1.245   7.038 -11.846
   26    H4*    A   3           H4*        A   3   1.203   7.673 -11.684
   27    H3*    A   3           H3*        A   3   0.032   5.559  -9.874
   28    H2*    A   3           H2*        A   3   2.188   5.207  -8.956
   29   2HO*    A   3          2HO*        A   3   3.303   5.182 -10.955
   30    H1*    A   3           H1*        A   3   2.971   7.885  -8.981
   31    H8     A   3           H8         A   3  -0.521   7.603  -7.521
   32   1H6     A   3          1H6         A   3   2.506   6.886  -2.118
   33   2H6     A   3          2H6         A   3   0.920   7.134  -2.850
   34    H2     A   3           H2         A   3   5.409   6.284  -5.378
   35   1H5*    G   4          1H5*        G   4   2.607   1.179 -10.947
   36   2H5*    G   4          2H5*        G   4   1.782   1.990  -9.606
   37    H4*    G   4           H4*        G   4   4.754   2.168 -10.260
   38    H3*    G   4           H3*        G   4   3.085   0.789  -8.156
   39    H2*    G   4           H2*        G   4   4.709   1.279  -6.464
   40   2HO*    G   4          2HO*        G   4   6.494   0.965  -8.072
   41    H1*    G   4           H1*        G   4   5.005   3.888  -7.120
   42    H8     G   4           H8         G   4   1.384   3.363  -8.009
   43    H1     G   4           H1         G   4   2.447   3.679  -1.675
   44   1H2     G   4          1H2         G   4   4.704   3.429  -1.298
   45   2H2     G   4          2H2         G   4   5.803   3.320  -2.663
   46   1H5*    G   5          1H5*        G   5   7.178  -0.697  -7.513
   47   2H5*    G   5          2H5*        G   5   7.082  -2.444  -7.248
   48    H4*    G   5           H4*        G   5   8.294  -1.223  -5.445
   49    H3*    G   5           H3*        G   5   5.749  -2.676  -4.681
   50    H2*    G   5           H2*        G   5   6.350  -2.178  -2.386
   51   2HO*    G   5          2HO*        G   5   8.694  -2.489  -2.947
   52    H1*    G   5           H1*        G   5   7.024   0.410  -2.884
   53    H8     G   5           H8         G   5   3.977  -0.319  -5.028
   54    H1     G   5           H1         G   5   2.687   0.882   1.169
   55   1H2     G   5          1H2         G   5   6.066   0.133   1.612
   56   2H2     G   5          2H2         G   5   4.547   0.570   2.392
   57   1H5*    C   6          1H5*        C   6   8.883  -4.038  -1.928
   58   2H5*    C   6          2H5*        C   6   8.638  -5.765  -1.629
   59    H4*    C   6           H4*        C   6   8.628  -4.418   0.462
   60    H3*    C   6           H3*        C   6   6.037  -5.784  -0.294
   61    H2*    C   6           H2*        C   6   5.255  -5.159   1.890
   62   2HO*    C   6          2HO*        C   6   6.835  -5.371   3.303
   63    H1*    C   6           H1*        C   6   6.275  -2.613   1.758
   64   1H4     C   6          1H4         C   6   0.539  -2.516  -1.568
   65   2H4     C   6          2H4         C   6   0.187  -2.085   0.099
   66    H5     C   6           H5         C   6   2.782  -3.278  -2.272
   67    H6     C   6           H6         C   6   5.046  -3.648  -1.528
   68   1H5*    G   7          1H5*        G   7   7.683  -7.158   3.642
   69   2H5*    G   7          2H5*        G   7   7.145  -8.808   4.006
   70    H4*    G   7           H4*        G   7   6.605  -7.096   5.778
   71    H3*    G   7           H3*        G   7   4.258  -8.502   4.465
   72    H2*    G   7           H2*        G   7   2.937  -7.467   6.184
   73   2HO*    G   7          2HO*        G   7   4.793  -7.880   7.748
   74    H1*    G   7           H1*        G   7   4.402  -5.078   6.137
   75    H8     G   7           H8         G   7   1.828  -4.573   6.330
   76    H1     G   7           H1         G   7   0.940  -5.940   0.118
   77   1H2     G   7          1H2         G   7   2.740  -7.057  -0.685
   78   2H2     G   7          2H2         G   7   4.088  -7.470   0.353
   79   1H5*    U   8          1H5*        U   8   3.684  -9.085   8.721
   80   2H5*    U   8          2H5*        U   8   2.898 -10.648   8.967
   81    H4*    U   8           H4*        U   8   1.558  -8.708   9.784
   82    H3*    U   8           H3*        U   8   0.367 -10.360   7.540
   83    H2*    U   8           H2*        U   8  -1.669  -9.092   7.963
   84   2HO*    U   8          2HO*        U   8  -1.176  -9.073  10.329
   85    H1*    U   8           H1*        U   8  -0.406  -6.708   8.083
   86    H3     U   8           H3         U   8  -2.688  -6.661   4.128
   87    H5     U   8           H5         U   8   0.581  -9.199   3.388
   88    H6     U   8           H6         U   8   1.177  -9.058   5.705
   89   1H5*    G   9          1H5*        G   9  -2.494 -10.273  10.903
   90   2H5*    G   9          2H5*        G   9  -3.122 -11.914  11.119
   91    H4*    G   9           H4*        G   9  -4.920 -10.275  10.942
   92    H3*    G   9           H3*        G   9  -4.733 -12.269   8.683
   93    H2*    G   9           H2*        G   9  -6.849 -11.344   7.901
   94   2HO*    G   9          2HO*        G   9  -7.463 -11.035  10.271
   95    H1*    G   9           H1*        G   9  -6.144  -8.795   8.145
   96    H8     G   9           H8         G   9  -2.912 -10.418   7.291
   97    H1     G   9           H1         G   9  -6.733  -9.524   2.202
   98   1H2     G   9          1H2         G   9  -9.211  -9.152   4.637
   99   2H2     G   9          2H2         G   9  -8.845  -9.292   2.913
  100   1H5*    C  10          1H5*        C  10  -8.834 -12.480   9.635
  101   2H5*    C  10          2H5*        C  10  -9.291 -14.192   9.714
  102    H4*    C  10           H4*        C  10 -10.609 -13.016   8.011
  103    H3*    C  10           H3*        C  10  -8.604 -15.027   6.940
  104    H2*    C  10           H2*        C  10  -9.520 -14.665   4.788
  105   2HO*    C  10          2HO*        C  10 -11.456 -13.471   4.492
  106    H1*    C  10           H1*        C  10  -9.820 -11.906   5.082
  107   1H4     C  10          1H4         C  10  -3.585 -13.170   3.209
  108   2H4     C  10          2H4         C  10  -4.552 -13.011   1.746
  109    H5     C  10           H5         C  10  -4.628 -13.186   5.456
  110    H6     C  10           H6         C  10  -6.717 -12.884   6.643
  111    H3T    C  10           H3T        C  10 -11.397 -15.218   6.936
  112   1H5*    G   1          1H5*        G   1  -6.767 -12.336  -8.784
  113   2H5*    G   1          2H5*        G   1  -7.446 -10.723  -9.053
  114    H4*    G   1           H4*        G   1  -9.054 -11.992  -7.804
  115    H3*    G   1           H3*        G   1  -7.588 -10.032  -6.008
  116    H2*    G   1           H2*        G   1  -9.164 -10.635  -4.313
  117   2HO*    G   1          2HO*        G   1 -10.918 -10.822  -5.987
  118    H1*    G   1           H1*        G   1  -8.995 -13.274  -4.752
  119    H8     G   1           H8         G   1  -5.509 -11.934  -5.288
  120    H1     G   1           H1         G   1  -7.121 -12.740   0.890
  121   1H2     G   1          1H2         G   1 -10.373 -12.829  -0.391
  122   2H2     G   1          2H2         G   1  -9.360 -12.802   1.053
  123    H5T    G   1           H5T        G   1  -6.113  -9.907  -7.464
  124   1H5*    C   2          1H5*        C   2 -11.622  -9.159  -5.238
  125   2H5*    C   2          2H5*        C   2 -11.815  -7.409  -5.051
  126    H4*    C   2           H4*        C   2 -12.523  -8.639  -3.033
  127    H3*    C   2           H3*        C   2 -10.070  -6.900  -2.701
  128    H2*    C   2           H2*        C   2 -10.273  -7.377  -0.331
  129   2HO*    C   2          2HO*        C   2 -12.677  -7.305  -0.499
  130    H1*    C   2           H1*        C   2 -10.760 -10.050  -0.683
  131   1H4     C   2          1H4         C   2  -4.203  -9.162  -1.264
  132   2H4     C   2          2H4         C   2  -4.564  -9.377   0.448
  133    H5     C   2           H5         C   2  -6.015  -8.972  -2.947
  134    H6     C   2           H6         C   2  -8.412  -9.063  -3.257
  135   1H5*    A   3          1H5*        A   3 -13.020  -5.664   0.233
  136   2H5*    A   3          2H5*        A   3 -12.919  -3.920   0.527
  137    H4*    A   3           H4*        A   3 -12.531  -5.386   2.560
  138    H3*    A   3           H3*        A   3 -10.366  -3.470   1.664
  139    H2*    A   3           H2*        A   3  -9.156  -4.114   3.642
  140   2HO*    A   3          2HO*        A   3 -11.216  -4.169   4.891
  141    H1*    A   3           H1*        A   3  -9.730  -6.806   3.428
  142    H8     A   3           H8         A   3  -8.914  -5.689  -0.074
  143   1H6     A   3          1H6         A   3  -3.021  -6.838   1.590
  144   2H6     A   3          2H6         A   3  -4.087  -6.497   0.226
  145    H2     A   3           H2         A   3  -5.420  -6.500   5.275
  146   1H5*    G   4          1H5*        G   4 -10.937  -2.313   5.832
  147   2H5*    G   4          2H5*        G   4 -10.699  -0.556   5.946
  148    H4*    G   4           H4*        G   4  -8.998  -1.848   7.237
  149    H3*    G   4           H3*        G   4  -7.962  -0.281   4.865
  150    H2*    G   4           H2*        G   4  -5.748  -0.929   5.555
  151   2HO*    G   4          2HO*        G   4  -5.755  -0.858   7.740
  152    H1*    G   4           H1*        G   4  -6.406  -3.544   5.969
  153    H8     G   4           H8         G   4  -8.267  -2.143   2.888
  154    H1     G   4           H1         G   4  -2.109  -3.734   1.892
  155   1H2     G   4          1H2         G   4  -2.088  -4.096   5.370
  156   2H2     G   4          2H2         G   4  -1.128  -4.153   3.904
  157   1H5*    G   5          1H5*        G   5  -5.936   0.665   8.863
  158   2H5*    G   5          2H5*        G   5  -5.364   2.342   8.838
  159    H4*    G   5           H4*        G   5  -3.629   0.638   9.511
  160    H3*    G   5           H3*        G   5  -3.087   2.325   7.052
  161    H2*    G   5           H2*        G   5  -0.857   1.356   7.122
  162   2HO*    G   5          2HO*        G   5  -0.915   1.382   9.543
  163    H1*    G   5           H1*        G   5  -1.740  -1.181   7.559
  164    H8     G   5           H8         G   5  -4.153   0.448   5.109
  165    H1     G   5           H1         G   5   1.296  -1.715   2.445
  166   1H2     G   5          1H2         G   5   2.475  -1.652   5.728
  167   2H2     G   5          2H2         G   5   2.860  -1.951   4.034
  168   1H5*    C   6          1H5*        C   6   0.339   2.683   9.753
  169   2H5*    C   6          2H5*        C   6   1.006   4.319   9.654
  170    H4*    C   6           H4*        C   6   2.664   2.532   9.099
  171    H3*    C   6           H3*        C   6   1.934   4.457   6.880
  172    H2*    C   6           H2*        C   6   3.790   3.469   5.674
  173   2HO*    C   6          2HO*        C   6   5.251   3.186   7.359
  174    H1*    C   6           H1*        C   6   3.073   0.904   6.308
  175   1H4     C   6          1H4         C   6  -1.039   2.561   1.401
  176   2H4     C   6          2H4         C   6   0.394   1.873   0.655
  177    H5     C   6           H5         C   6  -1.157   3.047   3.815
  178    H6     C   6           H6         C   6   0.022   2.863   5.906
  179   1H5*    G   7          1H5*        G   7   6.249   4.583   7.806
  180   2H5*    G   7          2H5*        G   7   6.954   6.165   7.439
  181    H4*    G   7           H4*        G   7   8.009   4.178   6.256
  182    H3*    G   7           H3*        G   7   6.814   6.364   4.521
  183    H2*    G   7           H2*        G   7   7.920   5.220   2.708
  184   2HO*    G   7          2HO*        G   7   9.798   4.778   4.235
  185    H1*    G   7           H1*        G   7   7.352   2.674   3.747
  186    H8     G   7           H8         G   7   7.051   2.925   1.084
  187    H1     G   7           H1         G   7   1.254   5.540   1.994
  188   1H2     G   7          1H2         G   7   1.087   6.310   4.122
  189   2H2     G   7          2H2         G   7   2.441   6.205   5.228
  190   1H5*    U   8          1H5*        U   8  10.918   5.896   3.224
  191   2H5*    U   8          2H5*        U   8  11.540   7.456   2.675
  192    H4*    U   8           H4*        U   8  11.542   5.700   0.907
  193    H3*    U   8           H3*        U   8   9.745   8.095   0.413
  194    H2*    U   8           H2*        U   8   9.568   7.193  -1.854
  195   2HO*    U   8          2HO*        U   8  11.865   6.424  -1.731
  196    H1*    U   8           H1*        U   8   9.084   4.674  -0.998
  197    H3     U   8           H3         U   8   5.023   6.166  -2.479
  198    H5     U   8           H5         U   8   5.504   7.988   1.279
  199    H6     U   8           H6         U   8   7.760   7.192   1.345
  200   1H5*    G   9          1H5*        G   9  12.420   7.761  -2.972
  201   2H5*    G   9          2H5*        G   9  13.030   9.371  -3.387
  202    H4*    G   9           H4*        G   9  12.042   8.266  -5.321
  203    H3*    G   9           H3*        G   9  10.538  10.689  -4.323
  204    H2*    G   9           H2*        G   9   9.178  10.459  -6.340
  205   2HO*    G   9          2HO*        G   9  11.212   9.680  -7.496
  206    H1*    G   9           H1*        G   9   8.774   7.844  -6.079
  207    H8     G   9           H8         G   9   9.016   8.941  -2.534
  208    H1     G   9           H1         G   9   3.284  10.129  -5.179
  209   1H2     G   9          1H2         G   9   5.027   9.737  -8.180
  210   2H2     G   9          2H2         G   9   3.510  10.201  -7.402
  211   1H5*    C  10          1H5*        C  10  10.757  11.540  -8.392
  212   2H5*    C  10          2H5*        C  10  11.287  13.220  -8.593
  213    H4*    C  10           H4*        C  10   9.109  12.929  -9.634
  214    H3*    C  10           H3*        C  10   9.018  14.525  -7.052
  215    H2*    C  10           H2*        C  10   6.736  14.992  -7.555
  216   2HO*    C  10          2HO*        C  10   7.403  15.076  -9.965
  217    H1*    C  10           H1*        C  10   6.145  12.420  -8.380
  218   1H4     C  10          1H4         C  10   5.995  12.581  -1.738
  219   2H4     C  10          2H4         C  10   4.385  12.997  -2.318
  220    H5     C  10           H5         C  10   7.901  12.306  -3.300
  221    H6     C  10           H6         C  10   8.507  12.205  -5.633
  222    H3T    C  10           H3T        C  10   9.229  16.233  -8.416
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1  -6.549  15.254  -2.321
    2   2H5*    G   1          2H5*        G   1  -7.336  13.914  -3.170
    3    H4*    G   1           H4*        G   1  -6.127  15.193  -4.798
    4    H3*    G   1           H3*        G   1  -4.638  12.639  -4.110
    5    H2*    G   1           H2*        G   1  -3.167  13.188  -5.917
    6   2HO*    G   1          2HO*        G   1  -5.033  14.077  -7.192
    7    H1*    G   1           H1*        G   1  -2.889  15.762  -5.230
    8    H8     G   1           H8         G   1  -3.113  13.866  -1.976
    9    H1     G   1           H1         G   1   2.678  13.650  -4.774
   10   1H2     G   1          1H2         G   1   0.908  14.704  -7.599
   11   2H2     G   1          2H2         G   1   2.455  14.159  -6.950
   12    H5T    G   1           H5T        G   1  -5.786  12.518  -2.382
   13   1H5*    C   2          1H5*        C   2  -4.873  12.467  -8.310
   14   2H5*    C   2          2H5*        C   2  -5.155  10.789  -8.797
   15    H4*    C   2           H4*        C   2  -3.070  11.700  -9.752
   16    H3*    C   2           H3*        C   2  -2.737   9.459  -7.752
   17    H2*    C   2           H2*        C   2  -0.398   9.459  -8.386
   18   2HO*    C   2          2HO*        C   2  -0.969   9.908 -10.671
   19    H1*    C   2           H1*        C   2  -0.144  12.183  -8.344
   20   1H4     C   2          1H4         C   2   0.206  10.064  -2.058
   21   2H4     C   2          2H4         C   2   1.828   9.979  -2.744
   22    H5     C   2           H5         C   2  -1.757  10.637  -3.464
   23    H6     C   2           H6         C   2  -2.441  11.303  -5.686
   24   1H5*    A   3          1H5*        A   3  -0.787   8.275 -11.480
   25   2H5*    A   3          2H5*        A   3  -0.909   6.521 -11.700
   26    H4*    A   3           H4*        A   3   1.453   7.454 -11.583
   27    H3*    A   3           H3*        A   3   0.545   5.333  -9.632
   28    H2*    A   3           H2*        A   3   2.789   5.301  -8.777
   29   2HO*    A   3          2HO*        A   3   3.649   5.539 -11.013
   30    H1*    A   3           H1*        A   3   3.141   8.034  -8.819
   31    H8     A   3           H8         A   3  -0.342   7.481  -7.474
   32   1H6     A   3          1H6         A   3   2.545   6.969  -1.975
   33   2H6     A   3          2H6         A   3   0.974   7.150  -2.760
   34    H2     A   3           H2         A   3   5.570   6.451  -5.139
   35   1H5*    G   4          1H5*        G   4   4.185   3.514 -11.287
   36   2H5*    G   4          2H5*        G   4   3.899   1.763 -11.357
   37    H4*    G   4           H4*        G   4   5.746   2.399  -9.792
   38    H3*    G   4           H3*        G   4   3.290   1.118  -8.582
   39    H2*    G   4           H2*        G   4   4.412   1.161  -6.464
   40   2HO*    G   4          2HO*        G   4   6.499   0.639  -6.936
   41    H1*    G   4           H1*        G   4   5.343   3.713  -6.725
   42    H8     G   4           H8         G   4   1.749   3.372  -8.119
   43    H1     G   4           H1         G   4   2.205   3.722  -1.706
   44   1H2     G   4          1H2         G   4   5.625   3.400  -2.368
   45   2H2     G   4          2H2         G   4   4.397   3.520  -1.120
   46   1H5*    G   5          1H5*        G   5   7.336  -0.956  -7.609
   47   2H5*    G   5          2H5*        G   5   7.009  -2.677  -7.347
   48    H4*    G   5           H4*        G   5   8.378  -1.566  -5.543
   49    H3*    G   5           H3*        G   5   5.741  -2.846  -4.787
   50    H2*    G   5           H2*        G   5   6.387  -2.426  -2.486
   51   2HO*    G   5          2HO*        G   5   8.698  -2.889  -3.055
   52    H1*    G   5           H1*        G   5   7.238   0.115  -2.942
   53    H8     G   5           H8         G   5   4.125  -0.446  -5.065
   54    H1     G   5           H1         G   5   2.940   0.888   1.123
   55   1H2     G   5          1H2         G   5   6.269  -0.051   1.562
   56   2H2     G   5          2H2         G   5   4.776   0.469   2.341
   57   1H5*    C   6          1H5*        C   6   8.843  -4.444  -2.108
   58   2H5*    C   6          2H5*        C   6   8.487  -6.149  -1.794
   59    H4*    C   6           H4*        C   6   8.616  -4.777   0.287
   60    H3*    C   6           H3*        C   6   5.950  -6.028  -0.399
   61    H2*    C   6           H2*        C   6   5.233  -5.337   1.787
   62   2HO*    C   6          2HO*        C   6   6.836  -5.631   3.167
   63    H1*    C   6           H1*        C   6   6.378  -2.847   1.618
   64   1H4     C   6          1H4         C   6   0.612  -2.441  -1.625
   65   2H4     C   6          2H4         C   6   0.299  -1.992   0.044
   66    H5     C   6           H5         C   6   2.793  -3.336  -2.353
   67    H6     C   6           H6         C   6   5.038  -3.842  -1.638
   68   1H5*    G   7          1H5*        G   7   7.614  -7.432   3.514
   69   2H5*    G   7          2H5*        G   7   7.029  -9.060   3.900
   70    H4*    G   7           H4*        G   7   6.575  -7.317   5.668
   71    H3*    G   7           H3*        G   7   4.168  -8.665   4.404
   72    H2*    G   7           H2*        G   7   2.900  -7.575   6.127
   73   2HO*    G   7          2HO*        G   7   4.765  -8.031   7.671
   74    H1*    G   7           H1*        G   7   4.441  -5.232   6.046
   75    H8     G   7           H8         G   7   1.882  -4.654   6.276
   76    H1     G   7           H1         G   7   0.904  -5.932   0.058
   77   1H2     G   7          1H2         G   7   2.644  -7.128  -0.761
   78   2H2     G   7          2H2         G   7   3.975  -7.612   0.268
   79   1H5*    U   8          1H5*        U   8   3.633  -9.197   8.670
   80   2H5*    U   8          2H5*        U   8   2.815 -10.741   8.936
   81    H4*    U   8           H4*        U   8   1.521  -8.773   9.751
   82    H3*    U   8           H3*        U   8   0.284 -10.402   7.515
   83    H2*    U   8           H2*        U   8  -1.720  -9.086   7.937
   84   2HO*    U   8          2HO*        U   8  -1.222  -9.078  10.304
   85    H1*    U   8           H1*        U   8  -0.404  -6.731   8.058
   86    H3     U   8           H3         U   8  -2.685  -6.611   4.107
   87    H5     U   8           H5         U   8   0.504  -9.247   3.359
   88    H6     U   8           H6         U   8   1.106  -9.128   5.676
   89   1H5*    G   9          1H5*        G   9  -2.566 -10.250  10.890
   90   2H5*    G   9          2H5*        G   9  -3.214 -11.883  11.116
   91    H4*    G   9           H4*        G   9  -4.994 -10.227  10.946
   92    H3*    G   9           H3*        G   9  -4.839 -12.223   8.686
   93    H2*    G   9           H2*        G   9  -6.946 -11.275   7.910
   94   2HO*    G   9          2HO*        G   9  -7.550 -10.958  10.282
   95    H1*    G   9           H1*        G   9  -6.213  -8.734   8.152
   96    H8     G   9           H8         G   9  -3.000 -10.386   7.289
   97    H1     G   9           H1         G   9  -6.826  -9.453   2.212
   98   1H2     G   9          1H2         G   9  -9.293  -9.061   4.654
   99   2H2     G   9          2H2         G   9  -8.934  -9.201   2.929
  100   1H5*    C  10          1H5*        C  10  -8.940 -12.388   9.649
  101   2H5*    C  10          2H5*        C  10  -9.414 -14.094   9.730
  102    H4*    C  10           H4*        C  10 -10.724 -12.907   8.030
  103    H3*    C  10           H3*        C  10  -8.743 -14.937   6.954
  104    H2*    C  10           H2*        C  10  -9.663 -14.568   4.805
  105   2HO*    C  10          2HO*        C  10 -11.587 -13.355   4.514
  106    H1*    C  10           H1*        C  10  -9.935 -11.806   5.098
  107   1H4     C  10          1H4         C  10  -3.719 -13.130   3.203
  108   2H4     C  10          2H4         C  10  -4.690 -12.961   1.743
  109    H5     C  10           H5         C  10  -4.754 -13.137   5.454
  110    H6     C  10           H6         C  10  -6.835 -12.815   6.648
  111    H3T    C  10           H3T        C  10 -11.537 -15.101   6.959
  112   1H5*    G   1          1H5*        G   1  -6.931 -12.205  -8.776
  113   2H5*    G   1          2H5*        G   1  -7.589 -10.582  -9.037
  114    H4*    G   1           H4*        G   1  -9.211 -11.833  -7.788
  115    H3*    G   1           H3*        G   1  -7.713  -9.902  -5.988
  116    H2*    G   1           H2*        G   1  -9.292 -10.490  -4.291
  117   2HO*    G   1          2HO*        G   1 -11.054 -10.643  -5.959
  118    H1*    G   1           H1*        G   1  -9.161 -13.128  -4.742
  119    H8     G   1           H8         G   1  -5.659 -11.834  -5.283
  120    H1     G   1           H1         G   1  -7.259 -12.656   0.896
  121   1H2     G   1          1H2         G   1 -10.517 -12.693  -0.373
  122   2H2     G   1          2H2         G   1  -9.499 -12.690   1.068
  123    H5T    G   1           H5T        G   1  -6.240  -9.790  -7.449
  124   1H5*    C   2          1H5*        C   2 -11.733  -8.966  -5.208
  125   2H5*    C   2          2H5*        C   2 -11.895  -7.214  -5.011
  126    H4*    C   2           H4*        C   2 -12.617  -8.444  -2.997
  127    H3*    C   2           H3*        C   2 -10.136  -6.746  -2.662
  128    H2*    C   2           H2*        C   2 -10.337  -7.237  -0.295
  129   2HO*    C   2          2HO*        C   2 -12.740  -7.125  -0.454
  130    H1*    C   2           H1*        C   2 -10.868  -9.900  -0.663
  131   1H4     C   2          1H4         C   2  -4.300  -9.104  -1.260
  132   2H4     C   2          2H4         C   2  -4.659  -9.325   0.452
  133    H5     C   2           H5         C   2  -6.114  -8.876  -2.936
  134    H6     C   2           H6         C   2  -8.513  -8.930  -3.239
  135   1H5*    A   3          1H5*        A   3 -13.046  -5.484   0.302
  136   2H5*    A   3          2H5*        A   3 -12.912  -3.744   0.609
  137    H4*    A   3           H4*        A   3 -12.535  -5.234   2.627
  138    H3*    A   3           H3*        A   3 -10.345  -3.347   1.734
  139    H2*    A   3           H2*        A   3  -9.132  -4.031   3.697
  140   2HO*    A   3          2HO*        A   3 -11.184  -4.064   4.960
  141    H1*    A   3           H1*        A   3  -9.749  -6.710   3.461
  142    H8     A   3           H8         A   3  -8.944  -5.576  -0.038
  143   1H6     A   3          1H6         A   3  -3.052  -6.800   1.574
  144   2H6     A   3          2H6         A   3  -4.124  -6.437   0.220
  145    H2     A   3           H2         A   3  -5.420  -6.466   5.278
  146   1H5*    G   4          1H5*        G   4 -10.853  -2.221   5.920
  147   2H5*    G   4          2H5*        G   4 -10.575  -0.471   6.050
  148    H4*    G   4           H4*        G   4  -8.890  -1.820   7.307
  149    H3*    G   4           H3*        G   4  -7.845  -0.235   4.951
  150    H2*    G   4           H2*        G   4  -5.637  -0.945   5.604
  151   2HO*    G   4          2HO*        G   4  -5.628  -0.912   7.792
  152    H1*    G   4           H1*        G   4  -6.346  -3.551   5.973
  153    H8     G   4           H8         G   4  -8.227  -2.082   2.940
  154    H1     G   4           H1         G   4  -2.089  -3.687   1.848
  155   1H2     G   4          1H2         G   4  -2.030  -4.101   5.321
  156   2H2     G   4          2H2         G   4  -1.087  -4.142   3.842
  157   1H5*    G   5          1H5*        G   5  -5.734   0.576   8.929
  158   2H5*    G   5          2H5*        G   5  -5.125   2.239   8.933
  159    H4*    G   5           H4*        G   5  -3.421   0.478   9.537
  160    H3*    G   5           H3*        G   5  -2.874   2.222   7.119
  161    H2*    G   5           H2*        G   5  -0.660   1.213   7.140
  162   2HO*    G   5          2HO*        G   5  -0.704   1.169   9.565
  163    H1*    G   5           H1*        G   5  -1.590  -1.320   7.512
  164    H8     G   5           H8         G   5  -4.008   0.398   5.138
  165    H1     G   5           H1         G   5   1.401  -1.716   2.355
  166   1H2     G   5          1H2         G   5   2.613  -1.758   5.625
  167   2H2     G   5          2H2         G   5   2.978  -2.020   3.920
  168   1H5*    C   6          1H5*        C   6   0.595   2.432   9.768
  169   2H5*    C   6          2H5*        C   6   1.260   4.072   9.732
  170    H4*    C   6           H4*        C   6   2.923   2.330   9.084
  171    H3*    C   6           H3*        C   6   2.128   4.315   6.942
  172    H2*    C   6           H2*        C   6   3.964   3.399   5.671
  173   2HO*    C   6          2HO*        C   6   5.567   3.014   7.063
  174    H1*    C   6           H1*        C   6   3.326   0.797   6.264
  175   1H4     C   6          1H4         C   6  -0.824   2.534   1.406
  176   2H4     C   6          2H4         C   6   0.615   1.880   0.641
  177    H5     C   6           H5         C   6  -0.942   2.949   3.834
  178    H6     C   6           H6         C   6   0.241   2.716   5.919
  179   1H5*    G   7          1H5*        G   7   6.446   4.473   7.921
  180   2H5*    G   7          2H5*        G   7   7.135   6.076   7.608
  181    H4*    G   7           H4*        G   7   8.267   4.166   6.395
  182    H3*    G   7           H3*        G   7   6.987   6.313   4.670
  183    H2*    G   7           H2*        G   7   8.136   5.231   2.855
  184   2HO*    G   7          2HO*        G   7  10.034   4.865   4.386
  185    H1*    G   7           H1*        G   7   7.695   2.653   3.884
  186    H8     G   7           H8         G   7   7.364   2.785   1.244
  187    H1     G   7           H1         G   7   1.575   5.459   2.022
  188   1H2     G   7          1H2         G   7   1.384   6.271   4.131
  189   2H2     G   7          2H2         G   7   2.716   6.167   5.263
  190   1H5*    U   8          1H5*        U   8  11.043   6.045   3.282
  191   2H5*    U   8          2H5*        U   8  11.584   7.644   2.755
  192    H4*    U   8           H4*        U   8  11.602   5.942   0.938
  193    H3*    U   8           H3*        U   8   9.684   8.265   0.579
  194    H2*    U   8           H2*        U   8   9.453   7.423  -1.701
  195   2HO*    U   8          2HO*        U   8  11.784   6.770  -1.709
  196    H1*    U   8           H1*        U   8   9.139   4.854  -0.915
  197    H3     U   8           H3         U   8   4.991   6.222  -2.270
  198    H5     U   8           H5         U   8   5.477   7.984   1.517
  199    H6     U   8           H6         U   8   7.752   7.229   1.543
  200   1H5*    G   9          1H5*        G   9  12.350   8.108  -2.885
  201   2H5*    G   9          2H5*        G   9  12.886   9.755  -3.255
  202    H4*    G   9           H4*        G   9  11.973   8.644  -5.224
  203    H3*    G   9           H3*        G   9  10.359  10.984  -4.198
  204    H2*    G   9           H2*        G   9   9.044  10.745  -6.244
  205   2HO*    G   9          2HO*        G   9  11.123  10.065  -7.382
  206    H1*    G   9           H1*        G   9   8.731   8.114  -6.037
  207    H8     G   9           H8         G   9   8.880   9.117  -2.467
  208    H1     G   9           H1         G   9   3.170  10.247  -5.192
  209   1H2     G   9          1H2         G   9   4.979   9.936  -8.165
  210   2H2     G   9          2H2         G   9   3.432  10.346  -7.415
  211   1H5*    C  10          1H5*        C  10  10.633  11.898  -8.267
  212   2H5*    C  10          2H5*        C  10  11.110  13.598  -8.433
  213    H4*    C  10           H4*        C  10   8.979  13.237  -9.549
  214    H3*    C  10           H3*        C  10   8.752  14.815  -6.965
  215    H2*    C  10           H2*        C  10   6.477  15.216  -7.546
  216   2HO*    C  10          2HO*        C  10   7.223  15.333  -9.931
  217    H1*    C  10           H1*        C  10   5.994  12.631  -8.402
  218   1H4     C  10          1H4         C  10   5.610  12.787  -1.766
  219   2H4     C  10          2H4         C  10   4.013  13.175  -2.401
  220    H5     C  10           H5         C  10   7.570  12.538  -3.266
  221    H6     C  10           H6         C  10   8.257  12.456  -5.577
  222    H3T    C  10           H3T        C  10   8.963  16.536  -8.311
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1  -6.853  15.507  -2.696
    2   2H5*    G   1          2H5*        G   1  -7.344  13.913  -3.296
    3    H4*    G   1           H4*        G   1  -6.111  15.270  -4.985
    4    H3*    G   1           H3*        G   1  -4.807  12.686  -4.085
    5    H2*    G   1           H2*        G   1  -3.218  13.083  -5.872
    6   2HO*    G   1          2HO*        G   1  -4.981  13.986  -7.256
    7    H1*    G   1           H1*        G   1  -2.877  15.687  -5.318
    8    H8     G   1           H8         G   1  -3.135  13.863  -1.984
    9    H1     G   1           H1         G   1   2.663  13.649  -4.763
   10   1H2     G   1          1H2         G   1   0.900  14.678  -7.602
   11   2H2     G   1          2H2         G   1   2.449  14.150  -6.944
   12    H5T    G   1           H5T        G   1  -5.131  14.515  -1.628
   13   1H5*    C   2          1H5*        C   2  -4.864  12.486  -8.436
   14   2H5*    C   2          2H5*        C   2  -5.139  10.798  -8.892
   15    H4*    C   2           H4*        C   2  -3.013  11.707  -9.793
   16    H3*    C   2           H3*        C   2  -2.745   9.466  -7.777
   17    H2*    C   2           H2*        C   2  -0.395   9.441  -8.419
   18   2HO*    C   2          2HO*        C   2  -0.948   9.902 -10.698
   19    H1*    C   2           H1*        C   2  -0.145  12.171  -8.358
   20   1H4     C   2          1H4         C   2   0.211  10.047  -2.074
   21   2H4     C   2          2H4         C   2   1.837   9.990  -2.754
   22    H5     C   2           H5         C   2  -1.757  10.579  -3.488
   23    H6     C   2           H6         C   2  -2.448  11.227  -5.711
   24   1H5*    A   3          1H5*        A   3  -0.778   8.261 -11.493
   25   2H5*    A   3          2H5*        A   3  -0.899   6.507 -11.708
   26    H4*    A   3           H4*        A   3   1.463   7.442 -11.597
   27    H3*    A   3           H3*        A   3   0.557   5.326  -9.638
   28    H2*    A   3           H2*        A   3   2.803   5.297  -8.785
   29   2HO*    A   3          2HO*        A   3   3.659   5.530 -11.024
   30    H1*    A   3           H1*        A   3   3.153   8.031  -8.835
   31    H8     A   3           H8         A   3  -0.329   7.476  -7.486
   32   1H6     A   3          1H6         A   3   2.559   6.970  -1.988
   33   2H6     A   3          2H6         A   3   0.988   7.147  -2.773
   34    H2     A   3           H2         A   3   5.585   6.456  -5.152
   35   1H5*    G   4          1H5*        G   4   4.197   3.508 -11.289
   36   2H5*    G   4          2H5*        G   4   3.913   1.756 -11.356
   37    H4*    G   4           H4*        G   4   5.760   2.396  -9.794
   38    H3*    G   4           H3*        G   4   3.306   1.116  -8.579
   39    H2*    G   4           H2*        G   4   4.430   1.162  -6.463
   40   2HO*    G   4          2HO*        G   4   6.516   0.640  -6.937
   41    H1*    G   4           H1*        G   4   5.359   3.714  -6.728
   42    H8     G   4           H8         G   4   1.765   3.371  -8.120
   43    H1     G   4           H1         G   4   2.223   3.724  -1.708
   44   1H2     G   4          1H2         G   4   5.643   3.401  -2.371
   45   2H2     G   4          2H2         G   4   4.416   3.521  -1.122
   46   1H5*    G   5          1H5*        G   5   7.349  -0.955  -7.606
   47   2H5*    G   5          2H5*        G   5   7.024  -2.676  -7.343
   48    H4*    G   5           H4*        G   5   8.391  -1.564  -5.539
   49    H3*    G   5           H3*        G   5   5.753  -2.843  -4.784
   50    H2*    G   5           H2*        G   5   6.397  -2.423  -2.483
   51   2HO*    G   5          2HO*        G   5   8.709  -2.886  -3.048
   52    H1*    G   5           H1*        G   5   7.249   0.117  -2.939
   53    H8     G   5           H8         G   5   4.136  -0.444  -5.063
   54    H1     G   5           H1         G   5   2.951   0.893   1.125
   55   1H2     G   5          1H2         G   5   6.281  -0.046   1.565
   56   2H2     G   5          2H2         G   5   4.787   0.475   2.343
   57   1H5*    C   6          1H5*        C   6   8.854  -4.443  -2.105
   58   2H5*    C   6          2H5*        C   6   8.498  -6.148  -1.792
   59    H4*    C   6           H4*        C   6   8.626  -4.778   0.290
   60    H3*    C   6           H3*        C   6   5.958  -6.024  -0.398
   61    H2*    C   6           H2*        C   6   5.242  -5.335   1.788
   62   2HO*    C   6          2HO*        C   6   6.846  -5.634   3.167
   63    H1*    C   6           H1*        C   6   6.390  -2.846   1.622
   64   1H4     C   6          1H4         C   6   0.624  -2.435  -1.622
   65   2H4     C   6          2H4         C   6   0.312  -1.986   0.048
   66    H5     C   6           H5         C   6   2.804  -3.331  -2.350
   67    H6     C   6           H6         C   6   5.049  -3.839  -1.635
   68   1H5*    G   7          1H5*        G   7   7.619  -7.437   3.512
   69   2H5*    G   7          2H5*        G   7   7.032  -9.065   3.896
   70    H4*    G   7           H4*        G   7   6.580  -7.324   5.666
   71    H3*    G   7           H3*        G   7   4.171  -8.665   4.400
   72    H2*    G   7           H2*        G   7   2.905  -7.576   6.124
   73   2HO*    G   7          2HO*        G   7   4.769  -8.038   7.667
   74    H1*    G   7           H1*        G   7   4.450  -5.235   6.047
   75    H8     G   7           H8         G   7   1.891  -4.655   6.279
   76    H1     G   7           H1         G   7   0.910  -5.924   0.059
   77   1H2     G   7          1H2         G   7   3.980  -7.606   0.266
   78   2H2     G   7          2H2         G   7   2.649  -7.120  -0.762
   79   1H5*    U   8          1H5*        U   8   3.630  -9.202   8.662
   80   2H5*    U   8          2H5*        U   8   2.809 -10.745   8.926
   81    H4*    U   8           H4*        U   8   1.519  -8.774   9.742
   82    H3*    U   8           H3*        U   8   0.280 -10.399   7.504
   83    H2*    U   8           H2*        U   8  -1.721  -9.081   7.925
   84   2HO*    U   8          2HO*        U   8  -1.222  -9.074  10.294
   85    H1*    U   8           H1*        U   8  -0.401  -6.728   8.049
   86    H3     U   8           H3         U   8  -2.688  -6.612   4.100
   87    H5     U   8           H5         U   8   0.506  -9.241   3.349
   88    H6     U   8           H6         U   8   1.109  -9.122   5.665
   89   1H5*    G   9          1H5*        G   9  -2.572 -10.231  10.879
   90   2H5*    G   9          2H5*        G   9  -3.212 -11.865  11.117
   91    H4*    G   9           H4*        G   9  -5.000 -10.217  10.948
   92    H3*    G   9           H3*        G   9  -4.845 -12.231   8.703
   93    H2*    G   9           H2*        G   9  -6.956 -11.299   7.920
   94   2HO*    G   9          2HO*        G   9  -7.547 -10.961  10.300
   95    H1*    G   9           H1*        G   9  -6.240  -8.749   8.147
   96    H8     G   9           H8         G   9  -3.014 -10.372   7.286
   97    H1     G   9           H1         G   9  -6.850  -9.462   2.211
   98   1H2     G   9          1H2         G   9  -9.324  -9.123   4.655
   99   2H2     G   9          2H2         G   9  -8.961  -9.238   2.929
  100   1H5*    C  10          1H5*        C  10  -8.934 -12.385   9.604
  101   2H5*    C  10          2H5*        C  10  -9.388 -14.090   9.768
  102    H4*    C  10           H4*        C  10 -10.721 -13.084   8.012
  103    H3*    C  10           H3*        C  10  -8.563 -14.930   6.921
  104    H2*    C  10           H2*        C  10  -9.627 -14.696   4.807
  105   2HO*    C  10          2HO*        C  10 -11.798 -14.704   5.915
  106    H1*    C  10           H1*        C  10 -10.023 -11.967   5.068
  107   1H4     C  10          1H4         C  10  -3.733 -13.088   3.194
  108   2H4     C  10          2H4         C  10  -4.707 -12.939   1.734
  109    H5     C  10           H5         C  10  -4.771 -13.103   5.444
  110    H6     C  10           H6         C  10  -6.857 -12.826   6.634
  111    H3T    C  10           H3T        C  10 -10.075 -15.951   8.263
  112   1H5*    G   1          1H5*        G   1  -6.957 -12.166  -8.780
  113   2H5*    G   1          2H5*        G   1  -7.615 -10.542  -9.037
  114    H4*    G   1           H4*        G   1  -9.240 -11.796  -7.798
  115    H3*    G   1           H3*        G   1  -7.745  -9.876  -5.983
  116    H2*    G   1           H2*        G   1  -9.331 -10.470  -4.294
  117   2HO*    G   1          2HO*        G   1 -11.088 -10.612  -5.968
  118    H1*    G   1           H1*        G   1  -9.201 -13.106  -4.758
  119    H8     G   1           H8         G   1  -5.697 -11.811  -5.282
  120    H1     G   1           H1         G   1  -7.315 -12.661   0.888
  121   1H2     G   1          1H2         G   1 -10.569 -12.700  -0.389
  122   2H2     G   1          2H2         G   1  -9.555 -12.707   1.054
  123    H5T    G   1           H5T        G   1  -6.271  -9.756  -7.441
  124   1H5*    C   2          1H5*        C   2 -11.757  -8.934  -5.204
  125   2H5*    C   2          2H5*        C   2 -11.917  -7.183  -5.000
  126    H4*    C   2           H4*        C   2 -12.640  -8.420  -2.991
  127    H3*    C   2           H3*        C   2 -10.154  -6.731  -2.649
  128    H2*    C   2           H2*        C   2 -10.354  -7.233  -0.285
  129   2HO*    C   2          2HO*        C   2 -12.757  -7.114  -0.439
  130    H1*    C   2           H1*        C   2 -10.891  -9.892  -0.665
  131   1H4     C   2          1H4         C   2  -4.322  -9.093  -1.264
  132   2H4     C   2          2H4         C   2  -4.680  -9.319   0.448
  133    H5     C   2           H5         C   2  -6.139  -8.862  -2.939
  134    H6     C   2           H6         C   2  -8.538  -8.917  -3.239
  135   1H5*    A   3          1H5*        A   3 -13.056  -5.477   0.324
  136   2H5*    A   3          2H5*        A   3 -12.918  -3.739   0.640
  137    H4*    A   3           H4*        A   3 -12.541  -5.240   2.650
  138    H3*    A   3           H3*        A   3 -10.348  -3.353   1.763
  139    H2*    A   3           H2*        A   3  -9.134  -4.049   3.721
  140   2HO*    A   3          2HO*        A   3 -11.191  -4.085   4.983
  141    H1*    A   3           H1*        A   3  -9.757  -6.727   3.472
  142    H8     A   3           H8         A   3  -8.957  -5.576  -0.022
  143   1H6     A   3          1H6         A   3  -3.059  -6.797   1.574
  144   2H6     A   3          2H6         A   3  -4.135  -6.430   0.223
  145    H2     A   3           H2         A   3  -5.421  -6.485   5.283
  146   1H5*    G   4          1H5*        G   4 -10.843  -2.244   5.950
  147   2H5*    G   4          2H5*        G   4 -10.567  -0.495   6.086
  148    H4*    G   4           H4*        G   4  -8.875  -1.845   7.332
  149    H3*    G   4           H3*        G   4  -7.840  -0.254   4.975
  150    H2*    G   4           H2*        G   4  -5.630  -0.963   5.618
  151   2HO*    G   4          2HO*        G   4  -5.612  -0.935   7.806
  152    H1*    G   4           H1*        G   4  -6.336  -3.571   5.984
  153    H8     G   4           H8         G   4  -8.230  -2.101   2.961
  154    H1     G   4           H1         G   4  -2.089  -3.683   1.845
  155   1H2     G   4          1H2         G   4  -1.081  -4.141   3.834
  156   2H2     G   4          2H2         G   4  -2.020  -4.107   5.316
  157   1H5*    G   5          1H5*        G   5  -5.718   0.551   8.948
  158   2H5*    G   5          2H5*        G   5  -5.113   2.215   8.954
  159    H4*    G   5           H4*        G   5  -3.404   0.457   9.551
  160    H3*    G   5           H3*        G   5  -2.866   2.204   7.133
  161    H2*    G   5           H2*        G   5  -0.649   1.200   7.151
  162   2HO*    G   5          2HO*        G   5  -0.690   1.154   9.576
  163    H1*    G   5           H1*        G   5  -1.573  -1.335   7.521
  164    H8     G   5           H8         G   5  -3.999   0.379   5.152
  165    H1     G   5           H1         G   5   1.415  -1.714   2.361
  166   1H2     G   5          1H2         G   5   2.629  -1.758   5.630
  167   2H2     G   5          2H2         G   5   2.994  -2.017   3.925
  168   1H5*    C   6          1H5*        C   6   0.606   2.422   9.773
  169   2H5*    C   6          2H5*        C   6   1.266   4.063   9.738
  170    H4*    C   6           H4*        C   6   2.934   2.327   9.085
  171    H3*    C   6           H3*        C   6   2.127   4.311   6.946
  172    H2*    C   6           H2*        C   6   3.965   3.402   5.672
  173   2HO*    C   6          2HO*        C   6   5.575   3.016   7.050
  174    H1*    C   6           H1*        C   6   3.337   0.797   6.265
  175   1H4     C   6          1H4         C   6  -0.820   2.529   1.410
  176   2H4     C   6          2H4         C   6   0.622   1.881   0.644
  177    H5     C   6           H5         C   6  -0.939   2.938   3.839
  178    H6     C   6           H6         C   6   0.245   2.705   5.923
  179   1H5*    G   7          1H5*        G   7   6.445   4.482   7.923
  180   2H5*    G   7          2H5*        G   7   7.130   6.086   7.610
  181    H4*    G   7           H4*        G   7   8.267   4.179   6.399
  182    H3*    G   7           H3*        G   7   6.983   6.322   4.672
  183    H2*    G   7           H2*        G   7   8.137   5.242   2.858
  184   2HO*    G   7          2HO*        G   7  10.034   4.881   4.391
  185    H1*    G   7           H1*        G   7   7.700   2.663   3.887
  186    H8     G   7           H8         G   7   7.371   2.794   1.248
  187    H1     G   7           H1         G   7   1.576   5.457   2.019
  188   1H2     G   7          1H2         G   7   1.381   6.267   4.129
  189   2H2     G   7          2H2         G   7   2.712   6.165   5.263
  190   1H5*    U   8          1H5*        U   8  11.044   6.061   3.292
  191   2H5*    U   8          2H5*        U   8  11.582   7.659   2.764
  192    H4*    U   8           H4*        U   8  11.608   5.953   0.951
  193    H3*    U   8           H3*        U   8   9.690   8.273   0.581
  194    H2*    U   8           H2*        U   8   9.468   7.426  -1.699
  195   2HO*    U   8          2HO*        U   8  11.800   6.773  -1.693
  196    H1*    U   8           H1*        U   8   9.152   4.859  -0.908
  197    H3     U   8           H3         U   8   5.006   6.222  -2.277
  198    H5     U   8           H5         U   8   5.480   7.990   1.508
  199    H6     U   8           H6         U   8   7.756   7.239   1.541
  200   1H5*    G   9          1H5*        G   9  12.357   8.112  -2.871
  201   2H5*    G   9          2H5*        G   9  12.896   9.757  -3.246
  202    H4*    G   9           H4*        G   9  11.981   8.640  -5.211
  203    H3*    G   9           H3*        G   9  10.378  10.991  -4.193
  204    H2*    G   9           H2*        G   9   9.056  10.750  -6.234
  205   2HO*    G   9          2HO*        G   9  11.140  10.050  -7.366
  206    H1*    G   9           H1*        G   9   8.739   8.117  -6.023
  207    H8     G   9           H8         G   9   8.887   9.123  -2.456
  208    H1     G   9           H1         G   9   3.178  10.251  -5.186
  209   1H2     G   9          1H2         G   9   4.991   9.946  -8.156
  210   2H2     G   9          2H2         G   9   3.443  10.353  -7.409
  211   1H5*    C  10          1H5*        C  10  10.610  11.879  -8.244
  212   2H5*    C  10          2H5*        C  10  11.126  13.564  -8.432
  213    H4*    C  10           H4*        C  10   8.982  13.274  -9.522
  214    H3*    C  10           H3*        C  10   8.750  14.798  -6.898
  215    H2*    C  10           H2*        C  10   6.500  15.248  -7.513
  216   2HO*    C  10          2HO*        C  10   7.201  15.488  -9.838
  217    H1*    C  10           H1*        C  10   5.998  12.679  -8.404
  218   1H4     C  10          1H4         C  10   5.582  12.784  -1.764
  219   2H4     C  10          2H4         C  10   3.990  13.182  -2.402
  220    H5     C  10           H5         C  10   7.546  12.528  -3.254
  221    H6     C  10           H6         C  10   8.246  12.456  -5.563
  222    H3T    C  10           H3T        C  10  10.035  15.813  -8.465
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1  -6.456  15.256  -2.222
    2   2H5*    G   1          2H5*        G   1  -7.262  13.925  -3.065
    3    H4*    G   1           H4*        G   1  -6.118  15.226  -4.715
    4    H3*    G   1           H3*        G   1  -4.613  12.668  -4.098
    5    H2*    G   1           H2*        G   1  -3.145  13.229  -5.890
    6   2HO*    G   1          2HO*        G   1  -5.020  14.144  -7.147
    7    H1*    G   1           H1*        G   1  -2.841  15.791  -5.196
    8    H8     G   1           H8         G   1  -3.082  13.898  -1.942
    9    H1     G   1           H1         G   1   2.704  13.644  -4.748
   10   1H2     G   1          1H2         G   1   0.935  14.708  -7.569
   11   2H2     G   1          2H2         G   1   2.480  14.155  -6.924
   12    H5T    G   1           H5T        G   1  -5.695  12.523  -2.339
   13   1H5*    C   2          1H5*        C   2  -4.849  12.536  -8.292
   14   2H5*    C   2          2H5*        C   2  -5.159  10.864  -8.787
   15    H4*    C   2           H4*        C   2  -3.046  11.736  -9.723
   16    H3*    C   2           H3*        C   2  -2.749   9.503  -7.702
   17    H2*    C   2           H2*        C   2  -0.412   9.469  -8.358
   18   2HO*    C   2          2HO*        C   2  -0.977   9.911 -10.639
   19    H1*    C   2           H1*        C   2  -0.139  12.195  -8.324
   20   1H4     C   2          1H4         C   2   0.230  10.075  -2.036
   21   2H4     C   2          2H4         C   2   1.848   9.979  -2.729
   22    H5     C   2           H5         C   2  -1.735  10.660  -3.432
   23    H6     C   2           H6         C   2  -2.426  11.331  -5.651
   24   1H5*    A   3          1H5*        A   3  -0.838   8.277 -11.440
   25   2H5*    A   3          2H5*        A   3  -0.968   6.522 -11.648
   26    H4*    A   3           H4*        A   3   1.398   7.451 -11.565
   27    H3*    A   3           H3*        A   3   0.505   5.335  -9.602
   28    H2*    A   3           H2*        A   3   2.755   5.298  -8.765
   29   2HO*    A   3          2HO*        A   3   3.597   5.532 -11.010
   30    H1*    A   3           H1*        A   3   3.117   8.030  -8.811
   31    H8     A   3           H8         A   3  -0.361   7.490  -7.445
   32   1H6     A   3          1H6         A   3   2.553   6.968  -1.963
   33   2H6     A   3          2H6         A   3   0.979   7.152  -2.740
   34    H2     A   3           H2         A   3   5.560   6.441  -5.143
   35   1H5*    G   4          1H5*        G   4   4.127   3.509 -11.287
   36   2H5*    G   4          2H5*        G   4   3.838   1.758 -11.353
   37    H4*    G   4           H4*        G   4   5.699   2.395  -9.803
   38    H3*    G   4           H3*        G   4   3.253   1.113  -8.574
   39    H2*    G   4           H2*        G   4   4.389   1.158  -6.465
   40   2HO*    G   4          2HO*        G   4   6.473   0.637  -6.949
   41    H1*    G   4           H1*        G   4   5.317   3.710  -6.732
   42    H8     G   4           H8         G   4   1.714   3.370  -8.103
   43    H1     G   4           H1         G   4   2.211   3.726  -1.695
   44   1H2     G   4          1H2         G   4   5.627   3.398  -2.379
   45   2H2     G   4          2H2         G   4   4.409   3.519  -1.122
   46   1H5*    G   5          1H5*        G   5   7.305  -0.956  -7.624
   47   2H5*    G   5          2H5*        G   5   6.982  -2.677  -7.360
   48    H4*    G   5           H4*        G   5   8.358  -1.563  -5.562
   49    H3*    G   5           H3*        G   5   5.726  -2.848  -4.797
   50    H2*    G   5           H2*        G   5   6.376  -2.424  -2.497
   51   2HO*    G   5          2HO*        G   5   8.687  -2.882  -3.071
   52    H1*    G   5           H1*        G   5   7.221   0.117  -2.956
   53    H8     G   5           H8         G   5   4.104  -0.454  -5.072
   54    H1     G   5           H1         G   5   2.930   0.895   1.115
   55   1H2     G   5          1H2         G   5   6.262  -0.040   1.551
   56   2H2     G   5          2H2         G   5   4.768   0.480   2.330
   57   1H5*    C   6          1H5*        C   6   8.838  -4.436  -2.123
   58   2H5*    C   6          2H5*        C   6   8.486  -6.141  -1.805
   59    H4*    C   6           H4*        C   6   8.617  -4.763   0.273
   60    H3*    C   6           H3*        C   6   5.951  -6.020  -0.403
   61    H2*    C   6           H2*        C   6   5.239  -5.325   1.784
   62   2HO*    C   6          2HO*        C   6   6.851  -5.613   3.157
   63    H1*    C   6           H1*        C   6   6.375  -2.833   1.603
   64   1H4     C   6          1H4         C   6   0.609  -2.448  -1.640
   65   2H4     C   6          2H4         C   6   0.296  -1.991   0.027
   66    H5     C   6           H5         C   6   2.789  -3.345  -2.364
   67    H6     C   6           H6         C   6   5.035  -3.846  -1.647
   68   1H5*    G   7          1H5*        G   7   7.618  -7.413   3.508
   69   2H5*    G   7          2H5*        G   7   7.033  -9.040   3.901
   70    H4*    G   7           H4*        G   7   6.575  -7.288   5.659
   71    H3*    G   7           H3*        G   7   4.171  -8.645   4.401
   72    H2*    G   7           H2*        G   7   2.901  -7.547   6.117
   73   2HO*    G   7          2HO*        G   7   4.765  -7.992   7.665
   74    H1*    G   7           H1*        G   7   4.438  -5.202   6.024
   75    H8     G   7           H8         G   7   1.877  -4.631   6.250
   76    H1     G   7           H1         G   7   0.908  -5.938   0.036
   77   1H2     G   7          1H2         G   7   3.983  -7.608   0.256
   78   2H2     G   7          2H2         G   7   2.652  -7.132  -0.776
   79   1H5*    U   8          1H5*        U   8   3.633  -9.152   8.669
   80   2H5*    U   8          2H5*        U   8   2.815 -10.695   8.943
   81    H4*    U   8           H4*        U   8   1.520  -8.722   9.746
   82    H3*    U   8           H3*        U   8   0.286 -10.367   7.520
   83    H2*    U   8           H2*        U   8  -1.719  -9.051   7.930
   84   2HO*    U   8          2HO*        U   8  -1.222  -9.026  10.299
   85    H1*    U   8           H1*        U   8  -0.406  -6.693   8.039
   86    H3     U   8           H3         U   8  -2.687  -6.603   4.086
   87    H5     U   8           H5         U   8   0.507  -9.238   3.357
   88    H6     U   8           H6         U   8   1.108  -9.103   5.672
   89   1H5*    G   9          1H5*        G   9  -2.572 -10.183  10.891
   90   2H5*    G   9          2H5*        G   9  -3.206 -11.818  11.138
   91    H4*    G   9           H4*        G   9  -5.002 -10.184  10.955
   92    H3*    G   9           H3*        G   9  -4.828 -12.196   8.711
   93    H2*    G   9           H2*        G   9  -6.947 -11.278   7.928
   94   2HO*    G   9          2HO*        G   9  -7.553 -10.949  10.297
   95    H1*    G   9           H1*        G   9  -6.243  -8.726   8.150
   96    H8     G   9           H8         G   9  -3.010 -10.349   7.300
   97    H1     G   9           H1         G   9  -6.834  -9.457   2.213
   98   1H2     G   9          1H2         G   9  -9.313  -9.098   4.649
   99   2H2     G   9          2H2         G   9  -8.946  -9.225   2.925
  100   1H5*    C  10          1H5*        C  10  -8.931 -12.398   9.653
  101   2H5*    C  10          2H5*        C  10  -9.368 -14.113   9.775
  102    H4*    C  10           H4*        C  10 -10.711 -13.039   8.049
  103    H3*    C  10           H3*        C  10  -8.599 -14.929   6.962
  104    H2*    C  10           H2*        C  10  -9.626 -14.652   4.827
  105   2HO*    C  10          2HO*        C  10 -11.820 -14.547   6.019
  106    H1*    C  10           H1*        C  10  -9.985 -11.919   5.102
  107   1H4     C  10          1H4         C  10  -3.706 -13.099   3.241
  108   2H4     C  10          2H4         C  10  -4.676 -12.943   1.778
  109    H5     C  10           H5         C  10  -4.752 -13.113   5.489
  110    H6     C  10           H6         C  10  -6.840 -12.821   6.672
  111    H3T    C  10           H3T        C  10 -10.226 -16.397   7.087
  112   1H5*    G   1          1H5*        G   1  -6.918 -12.294  -8.748
  113   2H5*    G   1          2H5*        G   1  -7.573 -10.673  -9.026
  114    H4*    G   1           H4*        G   1  -9.201 -11.909  -7.772
  115    H3*    G   1           H3*        G   1  -7.706  -9.967  -5.982
  116    H2*    G   1           H2*        G   1  -9.294 -10.537  -4.287
  117   2HO*    G   1          2HO*        G   1 -11.050 -10.700  -5.960
  118    H1*    G   1           H1*        G   1  -9.165 -13.180  -4.716
  119    H8     G   1           H8         G   1  -5.659 -11.894  -5.254
  120    H1     G   1           H1         G   1  -7.285 -12.662   0.926
  121   1H2     G   1          1H2         G   1 -10.538 -12.714  -0.355
  122   2H2     G   1          2H2         G   1  -9.526 -12.702   1.089
  123    H5T    G   1           H5T        G   1  -6.229  -9.869  -7.439
  124   1H5*    C   2          1H5*        C   2 -11.720  -9.013  -5.221
  125   2H5*    C   2          2H5*        C   2 -11.879  -7.259  -5.038
  126    H4*    C   2           H4*        C   2 -12.607  -8.472  -3.016
  127    H3*    C   2           H3*        C   2 -10.122  -6.779  -2.690
  128    H2*    C   2           H2*        C   2 -10.329  -7.251  -0.320
  129   2HO*    C   2          2HO*        C   2 -12.730  -7.134  -0.479
  130    H1*    C   2           H1*        C   2 -10.864  -9.915  -0.669
  131   1H4     C   2          1H4         C   2  -4.294  -9.124  -1.260
  132   2H4     C   2          2H4         C   2  -4.657  -9.329   0.453
  133    H5     C   2           H5         C   2  -6.106  -8.914  -2.942
  134    H6     C   2           H6         C   2  -8.505  -8.972  -3.249
  135   1H5*    A   3          1H5*        A   3 -13.039  -5.490   0.259
  136   2H5*    A   3          2H5*        A   3 -12.900  -3.749   0.558
  137    H4*    A   3           H4*        A   3 -12.536  -5.233   2.585
  138    H3*    A   3           H3*        A   3 -10.338  -3.354   1.693
  139    H2*    A   3           H2*        A   3  -9.134  -4.033   3.664
  140   2HO*    A   3          2HO*        A   3 -11.196  -4.058   4.916
  141    H1*    A   3           H1*        A   3  -9.753  -6.712   3.435
  142    H8     A   3           H8         A   3  -8.940  -5.588  -0.066
  143   1H6     A   3          1H6         A   3  -3.049  -6.797   1.561
  144   2H6     A   3          2H6         A   3  -4.120  -6.439   0.204
  145    H2     A   3           H2         A   3  -5.426  -6.461   5.260
  146   1H5*    G   4          1H5*        G   4 -10.860  -2.209   5.869
  147   2H5*    G   4          2H5*        G   4 -10.582  -0.460   5.995
  148    H4*    G   4           H4*        G   4  -8.901  -1.804   7.261
  149    H3*    G   4           H3*        G   4  -7.849  -0.228   4.903
  150    H2*    G   4           H2*        G   4  -5.643  -0.936   5.563
  151   2HO*    G   4          2HO*        G   4  -5.637  -0.896   7.751
  152    H1*    G   4           H1*        G   4  -6.354  -3.541   5.940
  153    H8     G   4           H8         G   4  -8.229  -2.088   2.897
  154    H1     G   4           H1         G   4  -2.085  -3.684   1.826
  155   1H2     G   4          1H2         G   4  -1.087  -4.130   3.824
  156   2H2     G   4          2H2         G   4  -2.035  -4.087   5.300
  157   1H5*    G   5          1H5*        G   5  -5.752   0.594   8.888
  158   2H5*    G   5          2H5*        G   5  -5.145   2.258   8.890
  159    H4*    G   5           H4*        G   5  -3.443   0.498   9.506
  160    H3*    G   5           H3*        G   5  -2.887   2.238   7.088
  161    H2*    G   5           H2*        G   5  -0.672   1.230   7.118
  162   2HO*    G   5          2HO*        G   5  -0.725   1.189   9.543
  163    H1*    G   5           H1*        G   5  -1.601  -1.303   7.489
  164    H8     G   5           H8         G   5  -4.016   0.412   5.108
  165    H1     G   5           H1         G   5   1.399  -1.707   2.339
  166   1H2     G   5          1H2         G   5   2.606  -1.741   5.610
  167   2H2     G   5          2H2         G   5   2.974  -2.006   3.907
  168   1H5*    C   6          1H5*        C   6   0.571   2.452   9.752
  169   2H5*    C   6          2H5*        C   6   1.239   4.090   9.716
  170    H4*    C   6           H4*        C   6   2.901   2.341   9.079
  171    H3*    C   6           H3*        C   6   2.123   4.329   6.932
  172    H2*    C   6           H2*        C   6   3.964   3.404   5.670
  173   2HO*    C   6          2HO*        C   6   5.550   3.023   7.093
  174    H1*    C   6           H1*        C   6   3.311   0.806   6.257
  175   1H4     C   6          1H4         C   6  -0.830   2.548   1.395
  176   2H4     C   6          2H4         C   6   0.608   1.889   0.631
  177    H5     C   6           H5         C   6  -0.947   2.969   3.820
  178    H6     C   6           H6         C   6   0.234   2.737   5.906
  179   1H5*    G   7          1H5*        G   7   6.439   4.477   7.921
  180   2H5*    G   7          2H5*        G   7   7.133   6.078   7.606
  181    H4*    G   7           H4*        G   7   8.255   4.161   6.393
  182    H3*    G   7           H3*        G   7   6.986   6.316   4.669
  183    H2*    G   7           H2*        G   7   8.128   5.228   2.853
  184   2HO*    G   7          2HO*        G   7  10.025   4.851   4.382
  185    H1*    G   7           H1*        G   7   7.673   2.652   3.881
  186    H8     G   7           H8         G   7   7.342   2.790   1.241
  187    H1     G   7           H1         G   7   1.563   5.484   2.026
  188   1H2     G   7          1H2         G   7   1.376   6.293   4.137
  189   2H2     G   7          2H2         G   7   2.709   6.184   5.268
  190   1H5*    U   8          1H5*        U   8  11.046   6.023   3.284
  191   2H5*    U   8          2H5*        U   8  11.595   7.617   2.755
  192    H4*    U   8           H4*        U   8  11.606   5.912   0.942
  193    H3*    U   8           H3*        U   8   9.703   8.245   0.576
  194    H2*    U   8           H2*        U   8   9.470   7.399  -1.704
  195   2HO*    U   8          2HO*        U   8  11.797   6.731  -1.705
  196    H1*    U   8           H1*        U   8   9.138   4.834  -0.913
  197    H3     U   8           H3         U   8   4.996   6.220  -2.267
  198    H5     U   8           H5         U   8   5.495   7.990   1.514
  199    H6     U   8           H6         U   8   7.766   7.226   1.540
  200   1H5*    G   9          1H5*        G   9  12.360   8.069  -2.888
  201   2H5*    G   9          2H5*        G   9  12.905   9.712  -3.262
  202    H4*    G   9           H4*        G   9  11.979   8.608  -5.227
  203    H3*    G   9           H3*        G   9  10.379  10.954  -4.195
  204    H2*    G   9           H2*        G   9   9.057  10.722  -6.238
  205   2HO*    G   9          2HO*        G   9  11.131  10.034  -7.382
  206    H1*    G   9           H1*        G   9   8.735   8.092  -6.031
  207    H8     G   9           H8         G   9   8.897   9.099  -2.462
  208    H1     G   9           H1         G   9   3.182  10.242  -5.172
  209   1H2     G   9          1H2         G   9   4.981   9.922  -8.149
  210   2H2     G   9          2H2         G   9   3.438  10.337  -7.396
  211   1H5*    C  10          1H5*        C  10  10.648  11.870  -8.263
  212   2H5*    C  10          2H5*        C  10  11.129  13.568  -8.429
  213    H4*    C  10           H4*        C  10   8.994  13.214  -9.541
  214    H3*    C  10           H3*        C  10   8.778  14.792  -6.956
  215    H2*    C  10           H2*        C  10   6.502  15.200  -7.533
  216   2HO*    C  10          2HO*        C  10   7.244  15.315  -9.919
  217    H1*    C  10           H1*        C  10   6.011  12.616  -8.388
  218   1H4     C  10          1H4         C  10   5.639  12.775  -1.751
  219   2H4     C  10          2H4         C  10   4.042  13.167  -2.382
  220    H5     C  10           H5         C  10   7.596  12.521  -3.254
  221    H6     C  10           H6         C  10   8.279  12.436  -5.567
  222    H3T    C  10           H3T        C  10   8.989  16.513  -8.302
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1  -6.136  15.439  -1.748
    2   2H5*    G   1          2H5*        G   1  -6.860  14.028  -2.541
    3    H4*    G   1           H4*        G   1  -5.777  15.454  -4.190
    4    H3*    G   1           H3*        G   1  -4.420  12.792  -3.704
    5    H2*    G   1           H2*        G   1  -2.935  13.346  -5.504
    6   2HO*    G   1          2HO*        G   1  -4.802  14.411  -6.670
    7    H1*    G   1           H1*        G   1  -2.486  15.871  -4.766
    8    H8     G   1           H8         G   1  -2.691  13.910  -1.549
    9    H1     G   1           H1         G   1   2.965  13.489  -4.585
   10   1H2     G   1          1H2         G   1   1.134  14.693  -7.310
   11   2H2     G   1          2H2         G   1   2.679  14.061  -6.740
   12    H5T    G   1           H5T        G   1  -5.774  13.346  -0.708
   13   1H5*    C   2          1H5*        C   2  -4.663  12.965  -7.975
   14   2H5*    C   2          2H5*        C   2  -5.078  11.346  -8.557
   15    H4*    C   2           H4*        C   2  -2.920  12.144  -9.462
   16    H3*    C   2           H3*        C   2  -2.769   9.765  -7.602
   17    H2*    C   2           H2*        C   2  -0.437   9.611  -8.294
   18   2HO*    C   2          2HO*        C   2  -1.017  10.259 -10.531
   19    H1*    C   2           H1*        C   2   0.019  12.306  -8.090
   20   1H4     C   2          1H4         C   2   0.377  10.005  -1.891
   21   2H4     C   2          2H4         C   2   1.976   9.852  -2.620
   22    H5     C   2           H5         C   2  -1.592  10.678  -3.247
   23    H6     C   2           H6         C   2  -2.289  11.423  -5.440
   24   1H5*    A   3          1H5*        A   3  -0.997   8.708 -11.424
   25   2H5*    A   3          2H5*        A   3  -1.300   7.003 -11.801
   26    H4*    A   3           H4*        A   3   1.149   7.637 -11.660
   27    H3*    A   3           H3*        A   3  -0.005   5.525  -9.837
   28    H2*    A   3           H2*        A   3   2.158   5.174  -8.938
   29   2HO*    A   3          2HO*        A   3   3.257   5.151 -10.946
   30    H1*    A   3           H1*        A   3   2.939   7.852  -8.968
   31    H8     A   3           H8         A   3  -0.546   7.560  -7.487
   32   1H6     A   3          1H6         A   3   2.514   6.858  -2.102
   33   2H6     A   3          2H6         A   3   0.924   7.100  -2.825
   34    H2     A   3           H2         A   3   5.402   6.266  -5.378
   35   1H5*    G   4          1H5*        G   4   2.579   1.146 -10.941
   36   2H5*    G   4          2H5*        G   4   1.758   1.946  -9.591
   37    H4*    G   4           H4*        G   4   4.725   2.140 -10.264
   38    H3*    G   4           H3*        G   4   3.073   0.754  -8.150
   39    H2*    G   4           H2*        G   4   4.701   1.253  -6.465
   40   2HO*    G   4          2HO*        G   4   6.479   0.945  -8.084
   41    H1*    G   4           H1*        G   4   4.986   3.862  -7.124
   42    H8     G   4           H8         G   4   1.362   3.322  -7.998
   43    H1     G   4           H1         G   4   2.451   3.663  -1.670
   44   1H2     G   4          1H2         G   4   5.804   3.308  -2.669
   45   2H2     G   4          2H2         G   4   4.708   3.418  -1.301
   46   1H5*    G   5          1H5*        G   5   7.173  -0.716  -7.516
   47   2H5*    G   5          2H5*        G   5   7.083  -2.464  -7.252
   48    H4*    G   5           H4*        G   5   8.292  -1.243  -5.448
   49    H3*    G   5           H3*        G   5   5.747  -2.698  -4.684
   50    H2*    G   5           H2*        G   5   6.349  -2.199  -2.389
   51   2HO*    G   5          2HO*        G   5   8.692  -2.510  -2.949
   52    H1*    G   5           H1*        G   5   7.023   0.388  -2.888
   53    H8     G   5           H8         G   5   3.974  -0.347  -5.028
   54    H1     G   5           H1         G   5   2.691   0.882   1.164
   55   1H2     G   5          1H2         G   5   6.070   0.130   1.608
   56   2H2     G   5          2H2         G   5   4.551   0.572   2.387
   57   1H5*    C   6          1H5*        C   6   8.884  -4.060  -1.931
   58   2H5*    C   6          2H5*        C   6   8.635  -5.786  -1.629
   59    H4*    C   6           H4*        C   6   8.628  -4.434   0.459
   60    H3*    C   6           H3*        C   6   6.034  -5.799  -0.293
   61    H2*    C   6           H2*        C   6   5.255  -5.167   1.890
   62   2HO*    C   6          2HO*        C   6   6.833  -5.375   3.304
   63    H1*    C   6           H1*        C   6   6.278  -2.622   1.750
   64   1H4     C   6          1H4         C   6   0.543  -2.524  -1.577
   65   2H4     C   6          2H4         C   6   0.192  -2.085   0.087
   66    H5     C   6           H5         C   6   2.783  -3.298  -2.277
   67    H6     C   6           H6         C   6   5.046  -3.670  -1.532
   68   1H5*    G   7          1H5*        G   7   7.676  -7.165   3.647
   69   2H5*    G   7          2H5*        G   7   7.132  -8.811   4.017
   70    H4*    G   7           H4*        G   7   6.596  -7.089   5.781
   71    H3*    G   7           H3*        G   7   4.247  -8.497   4.475
   72    H2*    G   7           H2*        G   7   2.927  -7.449   6.186
   73   2HO*    G   7          2HO*        G   7   4.782  -7.857   7.754
   74    H1*    G   7           H1*        G   7   4.399  -5.063   6.128
   75    H8     G   7           H8         G   7   1.826  -4.551   6.317
   76    H1     G   7           H1         G   7   0.937  -5.948   0.111
   77   1H2     G   7          1H2         G   7   4.082  -7.482   0.355
   78   2H2     G   7          2H2         G   7   2.735  -7.073  -0.686
   79   1H5*    U   8          1H5*        U   8   3.667  -9.051   8.735
   80   2H5*    U   8          2H5*        U   8   2.878 -10.612   8.989
   81    H4*    U   8           H4*        U   8   1.540  -8.665   9.792
   82    H3*    U   8           H3*        U   8   0.351 -10.330   7.556
   83    H2*    U   8           H2*        U   8  -1.683  -9.055   7.962
   84   2HO*    U   8          2HO*        U   8  -1.195  -9.022  10.332
   85    H1*    U   8           H1*        U   8  -0.417  -6.672   8.074
   86    H3     U   8           H3         U   8  -2.687  -6.640   4.113
   87    H5     U   8           H5         U   8   0.576  -9.193   3.396
   88    H6     U   8           H6         U   8   1.167  -9.040   5.714
   89   1H5*    G   9          1H5*        G   9  -2.529 -10.206  10.904
   90   2H5*    G   9          2H5*        G   9  -3.147 -11.848  11.137
   91    H4*    G   9           H4*        G   9  -4.958 -10.230  10.941
   92    H3*    G   9           H3*        G   9  -4.743 -12.236   8.694
   93    H2*    G   9           H2*        G   9  -6.865 -11.336   7.898
   94   2HO*    G   9          2HO*        G   9  -7.494 -11.020  10.262
   95    H1*    G   9           H1*        G   9  -6.188  -8.779   8.131
   96    H8     G   9           H8         G   9  -2.937 -10.378   7.299
   97    H1     G   9           H1         G   9  -6.730  -9.495   2.188
   98   1H2     G   9          1H2         G   9  -9.228  -9.158   4.607
   99   2H2     G   9          2H2         G   9  -8.848  -9.279   2.885
  100   1H5*    C  10          1H5*        C  10  -8.851 -12.480   9.606
  101   2H5*    C  10          2H5*        C  10  -9.274 -14.199   9.717
  102    H4*    C  10           H4*        C  10 -10.614 -13.130   7.985
  103    H3*    C  10           H3*        C  10  -8.477 -14.998   6.907
  104    H2*    C  10           H2*        C  10  -9.490 -14.721   4.766
  105   2HO*    C  10          2HO*        C  10 -11.694 -14.639   5.940
  106    H1*    C  10           H1*        C  10  -9.873 -11.993   5.047
  107   1H4     C  10          1H4         C  10  -3.570 -13.116   3.235
  108   2H4     C  10          2H4         C  10  -4.528 -12.961   1.765
  109    H5     C  10           H5         C  10  -4.634 -13.147   5.474
  110    H6     C  10           H6         C  10  -6.734 -12.876   6.640
  111    H3T    C  10           H3T        C  10 -10.093 -16.479   7.014
  112   1H5*    G   1          1H5*        G   1  -6.687 -12.325  -8.780
  113   2H5*    G   1          2H5*        G   1  -7.361 -10.712  -9.062
  114    H4*    G   1           H4*        G   1  -8.983 -11.972  -7.822
  115    H3*    G   1           H3*        G   1  -7.529 -10.010  -6.020
  116    H2*    G   1           H2*        G   1  -9.121 -10.603  -4.337
  117   2HO*    G   1          2HO*        G   1 -10.861 -10.791  -6.025
  118    H1*    G   1           H1*        G   1  -8.954 -13.243  -4.766
  119    H8     G   1           H8         G   1  -5.461 -11.913  -5.274
  120    H1     G   1           H1         G   1  -7.130 -12.701   0.892
  121   1H2     G   1          1H2         G   1 -10.371 -12.790  -0.417
  122   2H2     G   1          2H2         G   1  -9.371 -12.766   1.036
  123    H5T    G   1           H5T        G   1  -6.041  -9.891  -7.463
  124   1H5*    C   2          1H5*        C   2 -11.563  -9.119  -5.287
  125   2H5*    C   2          2H5*        C   2 -11.751  -7.368  -5.107
  126    H4*    C   2           H4*        C   2 -12.476  -8.590  -3.090
  127    H3*    C   2           H3*        C   2 -10.021  -6.858  -2.745
  128    H2*    C   2           H2*        C   2 -10.241  -7.331  -0.375
  129   2HO*    C   2          2HO*        C   2 -12.642  -7.250  -0.553
  130    H1*    C   2           H1*        C   2 -10.732 -10.003  -0.725
  131   1H4     C   2          1H4         C   2  -4.170  -9.133  -1.266
  132   2H4     C   2          2H4         C   2  -4.543  -9.341   0.445
  133    H5     C   2           H5         C   2  -5.970  -8.942  -2.961
  134    H6     C   2           H6         C   2  -8.366  -9.028  -3.286
  135   1H5*    A   3          1H5*        A   3 -12.991  -5.612   0.168
  136   2H5*    A   3          2H5*        A   3 -12.886  -3.868   0.464
  137    H4*    A   3           H4*        A   3 -12.519  -5.337   2.499
  138    H3*    A   3           H3*        A   3 -10.343  -3.426   1.623
  139    H2*    A   3           H2*        A   3  -9.148  -4.077   3.608
  140   2HO*    A   3          2HO*        A   3 -11.222  -4.128   4.840
  141    H1*    A   3           H1*        A   3  -9.727  -6.768   3.387
  142    H8     A   3           H8         A   3  -8.887  -5.641  -0.108
  143   1H6     A   3          1H6         A   3  -3.007  -6.809   1.586
  144   2H6     A   3          2H6         A   3  -4.065  -6.459   0.218
  145    H2     A   3           H2         A   3  -5.427  -6.481   5.258
  146   1H5*    G   4          1H5*        G   4 -10.936  -2.270   5.786
  147   2H5*    G   4          2H5*        G   4 -10.696  -0.514   5.902
  148    H4*    G   4           H4*        G   4  -9.003  -1.809   7.201
  149    H3*    G   4           H3*        G   4  -7.954  -0.242   4.834
  150    H2*    G   4           H2*        G   4  -5.744  -0.897   5.531
  151   2HO*    G   4          2HO*        G   4  -5.765  -0.822   7.718
  152    H1*    G   4           H1*        G   4  -6.409  -3.510   5.942
  153    H8     G   4           H8         G   4  -8.255  -2.105   2.854
  154    H1     G   4           H1         G   4  -2.098  -3.711   1.881
  155   1H2     G   4          1H2         G   4  -1.125  -4.134   3.897
  156   2H2     G   4          2H2         G   4  -2.093  -4.078   5.359
  157   1H5*    G   5          1H5*        G   5  -5.933   0.697   8.838
  158   2H5*    G   5          2H5*        G   5  -5.359   2.372   8.815
  159    H4*    G   5           H4*        G   5  -3.627   0.667   9.489
  160    H3*    G   5           H3*        G   5  -3.081   2.353   7.031
  161    H2*    G   5           H2*        G   5  -0.852   1.383   7.103
  162   2HO*    G   5          2HO*        G   5  -0.913   1.410   9.525
  163    H1*    G   5           H1*        G   5  -1.737  -1.154   7.541
  164    H8     G   5           H8         G   5  -4.143   0.477   5.085
  165    H1     G   5           H1         G   5   1.305  -1.706   2.434
  166   1H2     G   5          1H2         G   5   2.480  -1.637   5.718
  167   2H2     G   5          2H2         G   5   2.866  -1.943   4.025
  168   1H5*    C   6          1H5*        C   6   0.341   2.710   9.740
  169   2H5*    C   6          2H5*        C   6   1.012   4.345   9.640
  170    H4*    C   6           H4*        C   6   2.667   2.553   9.090
  171    H3*    C   6           H3*        C   6   1.946   4.479   6.868
  172    H2*    C   6           H2*        C   6   3.801   3.483   5.666
  173   2HO*    C   6          2HO*        C   6   5.256   3.199   7.357
  174    H1*    C   6           H1*        C   6   3.076   0.921   6.301
  175   1H4     C   6          1H4         C   6  -1.029   2.576   1.388
  176   2H4     C   6          2H4         C   6   0.402   1.880   0.646
  177    H5     C   6           H5         C   6  -1.145   3.071   3.800
  178    H6     C   6           H6         C   6   0.031   2.890   5.893
  179   1H5*    G   7          1H5*        G   7   6.261   4.592   7.799
  180   2H5*    G   7          2H5*        G   7   6.970   6.172   7.430
  181    H4*    G   7           H4*        G   7   8.020   4.182   6.249
  182    H3*    G   7           H3*        G   7   6.831   6.369   4.512
  183    H2*    G   7           H2*        G   7   7.931   5.220   2.699
  184   2HO*    G   7          2HO*        G   7   9.810   4.775   4.223
  185    H1*    G   7           H1*        G   7   7.359   2.676   3.742
  186    H8     G   7           H8         G   7   7.054   2.917   1.081
  187    H1     G   7           H1         G   7   1.267   5.555   1.987
  188   1H2     G   7          1H2         G   7   1.105   6.334   4.112
  189   2H2     G   7          2H2         G   7   2.460   6.228   5.217
  190   1H5*    U   8          1H5*        U   8  10.936   5.888   3.213
  191   2H5*    U   8          2H5*        U   8  11.560   7.446   2.660
  192    H4*    U   8           H4*        U   8  11.557   5.688   0.895
  193    H3*    U   8           H3*        U   8   9.762   8.083   0.398
  194    H2*    U   8           H2*        U   8   9.581   7.175  -1.867
  195   2HO*    U   8          2HO*        U   8  11.878   6.404  -1.744
  196    H1*    U   8           H1*        U   8   9.094   4.659  -1.004
  197    H3     U   8           H3         U   8   5.028   6.146  -2.473
  198    H5     U   8           H5         U   8   5.524   7.982   1.277
  199    H6     U   8           H6         U   8   7.780   7.187   1.336
  200   1H5*    G   9          1H5*        G   9  12.423   7.743  -2.990
  201   2H5*    G   9          2H5*        G   9  13.031   9.351  -3.415
  202    H4*    G   9           H4*        G   9  12.029   8.236  -5.338
  203    H3*    G   9           H3*        G   9  10.541  10.671  -4.343
  204    H2*    G   9           H2*        G   9   9.160  10.434  -6.344
  205   2HO*    G   9          2HO*        G   9  11.191   9.631  -7.507
  206    H1*    G   9           H1*        G   9   8.755   7.818  -6.070
  207    H8     G   9           H8         G   9   9.021   8.927  -2.532
  208    H1     G   9           H1         G   9   3.272  10.105  -5.146
  209   1H2     G   9          1H2         G   9   5.000   9.716  -8.156
  210   2H2     G   9          2H2         G   9   3.486  10.177  -7.371
  211   1H5*    C  10          1H5*        C  10  10.682  11.485  -8.399
  212   2H5*    C  10          2H5*        C  10  11.247  13.149  -8.631
  213    H4*    C  10           H4*        C  10   9.051  12.927  -9.627
  214    H3*    C  10           H3*        C  10   8.980  14.477  -7.010
  215    H2*    C  10           H2*        C  10   6.720  14.992  -7.525
  216   2HO*    C  10          2HO*        C  10   7.322  15.192  -9.882
  217    H1*    C  10           H1*        C  10   6.097  12.434  -8.370
  218   1H4     C  10          1H4         C  10   5.989  12.552  -1.722
  219   2H4     C  10          2H4         C  10   4.376  12.977  -2.290
  220    H5     C  10           H5         C  10   7.881  12.273  -3.296
  221    H6     C  10           H6         C  10   8.474  12.178  -5.632
  222    H3T    C  10           H3T        C  10  10.223  15.439  -8.642
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1  -6.476  15.357  -2.292
    2   2H5*    G   1          2H5*        G   1  -7.277  14.029  -3.145
    3    H4*    G   1           H4*        G   1  -6.059  15.303  -4.769
    4    H3*    G   1           H3*        G   1  -4.591  12.733  -4.095
    5    H2*    G   1           H2*        G   1  -3.118  13.277  -5.902
    6   2HO*    G   1          2HO*        G   1  -4.978  14.189  -7.170
    7    H1*    G   1           H1*        G   1  -2.816  15.845  -5.203
    8    H8     G   1           H8         G   1  -3.054  13.935  -1.958
    9    H1     G   1           H1         G   1   2.732  13.681  -4.763
   10   1H2     G   1          1H2         G   1   0.970  14.768  -7.580
   11   2H2     G   1          2H2         G   1   2.513  14.208  -6.935
   12    H5T    G   1           H5T        G   1  -5.739  12.615  -2.367
   13   1H5*    C   2          1H5*        C   2  -4.832  12.583  -8.294
   14   2H5*    C   2          2H5*        C   2  -5.131  10.910  -8.788
   15    H4*    C   2           H4*        C   2  -3.039  11.805  -9.742
   16    H3*    C   2           H3*        C   2  -2.725   9.553  -7.751
   17    H2*    C   2           H2*        C   2  -0.387   9.532  -8.388
   18   2HO*    C   2          2HO*        C   2  -0.955   9.995 -10.670
   19    H1*    C   2           H1*        C   2  -0.106  12.253  -8.335
   20   1H4     C   2          1H4         C   2   0.229  10.101  -2.059
   21   2H4     C   2          2H4         C   2   1.849  10.003  -2.746
   22    H5     C   2           H5         C   2  -1.729  10.701  -3.460
   23    H6     C   2           H6         C   2  -2.409  11.385  -5.678
   24   1H5*    A   3          1H5*        A   3  -0.792   8.362 -11.485
   25   2H5*    A   3          2H5*        A   3  -0.933   6.610 -11.712
   26    H4*    A   3           H4*        A   3   1.439   7.517 -11.595
   27    H3*    A   3           H3*        A   3   0.510   5.400  -9.649
   28    H2*    A   3           H2*        A   3   2.755   5.341  -8.797
   29   2HO*    A   3          2HO*        A   3   3.616   5.577 -11.033
   30    H1*    A   3           H1*        A   3   3.136   8.071  -8.830
   31    H8     A   3           H8         A   3  -0.352   7.549  -7.485
   32   1H6     A   3          1H6         A   3   2.531   6.977  -1.990
   33   2H6     A   3          2H6         A   3   0.962   7.179  -2.773
   34    H2     A   3           H2         A   3   5.549   6.443  -5.158
   35   1H5*    G   4          1H5*        G   4   4.129   3.549 -11.316
   36   2H5*    G   4          2H5*        G   4   3.827   1.801 -11.388
   37    H4*    G   4           H4*        G   4   5.683   2.420  -9.827
   38    H3*    G   4           H3*        G   4   3.221   1.153  -8.614
   39    H2*    G   4           H2*        G   4   4.350   1.182  -6.499
   40   2HO*    G   4          2HO*        G   4   6.432   0.651  -6.972
   41    H1*    G   4           H1*        G   4   5.294   3.729  -6.754
   42    H8     G   4           H8         G   4   1.697   3.423  -8.145
   43    H1     G   4           H1         G   4   2.161   3.730  -1.731
   44   1H2     G   4          1H2         G   4   5.577   3.380  -2.398
   45   2H2     G   4          2H2         G   4   4.353   3.504  -1.148
   46   1H5*    G   5          1H5*        G   5   7.250  -0.949  -7.655
   47   2H5*    G   5          2H5*        G   5   6.915  -2.669  -7.393
   48    H4*    G   5           H4*        G   5   8.293  -1.561  -5.591
   49    H3*    G   5           H3*        G   5   5.655  -2.836  -4.830
   50    H2*    G   5           H2*        G   5   6.307  -2.420  -2.530
   51   2HO*    G   5          2HO*        G   5   8.617  -2.884  -3.107
   52    H1*    G   5           H1*        G   5   7.159   0.120  -2.985
   53    H8     G   5           H8         G   5   4.044  -0.427  -5.107
   54    H1     G   5           H1         G   5   2.865   0.873   1.089
   55   1H2     G   5          1H2         G   5   6.194  -0.072   1.521
   56   2H2     G   5          2H2         G   5   4.701   0.445   2.304
   57   1H5*    C   6          1H5*        C   6   8.755  -4.437  -2.156
   58   2H5*    C   6          2H5*        C   6   8.401  -6.142  -1.846
   59    H4*    C   6           H4*        C   6   8.532  -4.774   0.238
   60    H3*    C   6           H3*        C   6   5.867  -6.028  -0.448
   61    H2*    C   6           H2*        C   6   5.151  -5.345   1.740
   62   2HO*    C   6          2HO*        C   6   6.751  -5.635   3.122
   63    H1*    C   6           H1*        C   6   6.292  -2.852   1.578
   64   1H4     C   6          1H4         C   6   0.522  -2.439  -1.657
   65   2H4     C   6          2H4         C   6   0.210  -1.998   0.014
   66    H5     C   6           H5         C   6   2.704  -3.325  -2.391
   67    H6     C   6           H6         C   6   4.951  -3.831  -1.681
   68   1H5*    G   7          1H5*        G   7   7.553  -7.436   3.453
   69   2H5*    G   7          2H5*        G   7   6.978  -9.068   3.839
   70    H4*    G   7           H4*        G   7   6.528  -7.332   5.614
   71    H3*    G   7           H3*        G   7   4.119  -8.688   4.363
   72    H2*    G   7           H2*        G   7   2.858  -7.608   6.095
   73   2HO*    G   7          2HO*        G   7   4.729  -8.061   7.629
   74    H1*    G   7           H1*        G   7   4.389  -5.258   6.014
   75    H8     G   7           H8         G   7   1.830  -4.686   6.263
   76    H1     G   7           H1         G   7   0.822  -5.935   0.043
   77   1H2     G   7          1H2         G   7   2.557  -7.127  -0.790
   78   2H2     G   7          2H2         G   7   3.894  -7.616   0.231
   79   1H5*    U   8          1H5*        U   8   3.643  -9.238   8.646
   80   2H5*    U   8          2H5*        U   8   2.820 -10.778   8.918
   81    H4*    U   8           H4*        U   8   1.556  -8.798   9.759
   82    H3*    U   8           H3*        U   8   0.264 -10.426   7.554
   83    H2*    U   8           H2*        U   8  -1.724  -9.094   8.016
   84   2HO*    U   8          2HO*        U   8  -1.157  -9.081  10.373
   85    H1*    U   8           H1*        U   8  -0.392  -6.749   8.096
   86    H3     U   8           H3         U   8  -2.729  -6.610   4.194
   87    H5     U   8           H5         U   8   0.428  -9.280   3.389
   88    H6     U   8           H6         U   8   1.056  -9.172   5.698
   89   1H5*    G   9          1H5*        G   9  -2.545 -10.242  10.940
   90   2H5*    G   9          2H5*        G   9  -3.186 -11.873  11.197
   91    H4*    G   9           H4*        G   9  -4.977 -10.236  11.007
   92    H3*    G   9           H3*        G   9  -4.809 -12.258   8.772
   93    H2*    G   9           H2*        G   9  -6.915 -11.331   7.970
   94   2HO*    G   9          2HO*        G   9  -7.522 -10.984  10.345
   95    H1*    G   9           H1*        G   9  -6.203  -8.779   8.192
   96    H8     G   9           H8         G   9  -2.973 -10.420   7.359
   97    H1     G   9           H1         G   9  -6.752  -9.473   2.250
   98   1H2     G   9          1H2         G   9  -9.252  -9.125   4.664
   99   2H2     G   9          2H2         G   9  -8.868  -9.238   2.943
  100   1H5*    C  10          1H5*        C  10  -8.901 -12.417   9.637
  101   2H5*    C  10          2H5*        C  10  -9.357 -14.122   9.796
  102    H4*    C  10           H4*        C  10 -10.667 -13.116   8.021
  103    H3*    C  10           H3*        C  10  -8.493 -14.961   6.959
  104    H2*    C  10           H2*        C  10  -9.529 -14.727   4.831
  105   2HO*    C  10          2HO*        C  10 -11.714 -14.734   5.910
  106    H1*    C  10           H1*        C  10  -9.927 -11.998   5.088
  107   1H4     C  10          1H4         C  10  -3.610 -13.113   3.305
  108   2H4     C  10          2H4         C  10  -4.561 -12.951   1.831
  109    H5     C  10           H5         C  10  -4.681 -13.143   5.538
  110    H6     C  10           H6         C  10  -6.784 -12.869   6.698
  111    H3T    C  10           H3T        C  10 -10.025 -15.983   8.280
  112   1H5*    G   1          1H5*        G   1  -6.710 -12.196  -8.792
  113   2H5*    G   1          2H5*        G   1  -7.190 -10.492  -8.915
  114    H4*    G   1           H4*        G   1  -8.924 -11.787  -7.785
  115    H3*    G   1           H3*        G   1  -7.433  -9.841  -6.000
  116    H2*    G   1           H2*        G   1  -9.048 -10.398  -4.300
  117   2HO*    G   1          2HO*        G   1 -10.773 -10.559  -6.010
  118    H1*    G   1           H1*        G   1  -8.964 -13.043  -4.703
  119    H8     G   1           H8         G   1  -5.422 -11.793  -5.193
  120    H1     G   1           H1         G   1  -7.150 -12.639   0.949
  121   1H2     G   1          1H2         G   1 -10.383 -12.666  -0.383
  122   2H2     G   1          2H2         G   1  -9.393 -12.686   1.077
  123    H5T    G   1           H5T        G   1  -5.059 -10.593  -8.241
  124   1H5*    C   2          1H5*        C   2 -11.555  -8.952  -5.251
  125   2H5*    C   2          2H5*        C   2 -11.721  -7.200  -5.059
  126    H4*    C   2           H4*        C   2 -12.461  -8.432  -3.050
  127    H3*    C   2           H3*        C   2  -9.993  -6.721  -2.685
  128    H2*    C   2           H2*        C   2 -10.252  -7.196  -0.313
  129   2HO*    C   2          2HO*        C   2 -12.639  -7.096  -0.505
  130    H1*    C   2           H1*        C   2 -10.746  -9.864  -0.689
  131   1H4     C   2          1H4         C   2  -4.173  -9.041  -1.165
  132   2H4     C   2          2H4         C   2  -4.561  -9.306   0.536
  133    H5     C   2           H5         C   2  -5.956  -8.786  -2.868
  134    H6     C   2           H6         C   2  -8.346  -8.839  -3.217
  135   1H5*    A   3          1H5*        A   3 -13.012  -5.428   0.176
  136   2H5*    A   3          2H5*        A   3 -12.879  -3.687   0.484
  137    H4*    A   3           H4*        A   3 -12.589  -5.179   2.518
  138    H3*    A   3           H3*        A   3 -10.349  -3.308   1.713
  139    H2*    A   3           H2*        A   3  -9.227  -4.003   3.724
  140   2HO*    A   3          2HO*        A   3 -11.350  -4.010   4.886
  141    H1*    A   3           H1*        A   3  -9.882  -6.679   3.472
  142    H8     A   3           H8         A   3  -8.852  -5.594   0.019
  143   1H6     A   3          1H6         A   3  -3.992  -6.640   0.614
  144   2H6     A   3          2H6         A   3  -3.091  -6.880   2.069
  145    H2     A   3           H2         A   3  -5.676  -6.426   5.559
  146   1H5*    G   4          1H5*        G   4 -10.932  -2.170   5.868
  147   2H5*    G   4          2H5*        G   4 -10.649  -0.422   5.992
  148    H4*    G   4           H4*        G   4  -8.987  -1.764   7.282
  149    H3*    G   4           H3*        G   4  -7.898  -0.210   4.926
  150    H2*    G   4           H2*        G   4  -5.704  -0.928   5.617
  151   2HO*    G   4          2HO*        G   4  -5.738  -0.870   7.808
  152    H1*    G   4           H1*        G   4  -6.433  -3.526   5.995
  153    H8     G   4           H8         G   4  -8.280  -2.085   2.933
  154    H1     G   4           H1         G   4  -2.139  -3.714   1.904
  155   1H2     G   4          1H2         G   4  -2.104  -4.094   5.382
  156   2H2     G   4          2H2         G   4  -1.150  -4.150   3.911
  157   1H5*    G   5          1H5*        G   5  -5.806   0.624   8.901
  158   2H5*    G   5          2H5*        G   5  -5.183   2.281   8.892
  159    H4*    G   5           H4*        G   5  -3.495   0.504   9.505
  160    H3*    G   5           H3*        G   5  -2.934   2.239   7.085
  161    H2*    G   5           H2*        G   5  -0.727   1.213   7.109
  162   2HO*    G   5          2HO*        G   5  -0.773   1.173   9.534
  163    H1*    G   5           H1*        G   5  -1.676  -1.312   7.483
  164    H8     G   5           H8         G   5  -4.084   0.417   5.107
  165    H1     G   5           H1         G   5   1.316  -1.727   2.326
  166   1H2     G   5          1H2         G   5   2.526  -1.779   5.595
  167   2H2     G   5          2H2         G   5   2.890  -2.040   3.891
  168   1H5*    C   6          1H5*        C   6   0.533   2.426   9.738
  169   2H5*    C   6          2H5*        C   6   1.211   4.060   9.702
  170    H4*    C   6           H4*        C   6   2.862   2.304   9.058
  171    H3*    C   6           H3*        C   6   2.087   4.296   6.915
  172    H2*    C   6           H2*        C   6   3.919   3.364   5.646
  173   2HO*    C   6          2HO*        C   6   5.509   2.974   7.060
  174    H1*    C   6           H1*        C   6   3.256   0.768   6.235
  175   1H4     C   6          1H4         C   6  -0.883   2.541   1.382
  176   2H4     C   6          2H4         C   6   0.550   1.878   0.614
  177    H5     C   6           H5         C   6  -0.996   2.955   3.809
  178    H6     C   6           H6         C   6   0.186   2.712   5.893
  179   1H5*    G   7          1H5*        G   7   6.404   4.424   7.897
  180   2H5*    G   7          2H5*        G   7   7.104   6.022   7.585
  181    H4*    G   7           H4*        G   7   8.218   4.102   6.370
  182    H3*    G   7           H3*        G   7   6.961   6.266   4.649
  183    H2*    G   7           H2*        G   7   8.099   5.177   2.832
  184   2HO*    G   7          2HO*        G   7   9.993   4.787   4.362
  185    H1*    G   7           H1*        G   7   7.630   2.600   3.853
  186    H8     G   7           H8         G   7   7.304   2.752   1.213
  187    H1     G   7           H1         G   7   1.529   5.453   2.005
  188   1H2     G   7          1H2         G   7   1.344   6.257   4.118
  189   2H2     G   7          2H2         G   7   2.677   6.143   5.248
  190   1H5*    U   8          1H5*        U   8  11.019   5.956   3.265
  191   2H5*    U   8          2H5*        U   8  11.577   7.548   2.738
  192    H4*    U   8           H4*        U   8  11.579   5.845   0.922
  193    H3*    U   8           H3*        U   8   9.689   8.189   0.558
  194    H2*    U   8           H2*        U   8   9.453   7.347  -1.723
  195   2HO*    U   8          2HO*        U   8  11.777   6.665  -1.721
  196    H1*    U   8           H1*        U   8   9.105   4.784  -0.935
  197    H3     U   8           H3         U   8   4.973   6.200  -2.289
  198    H5     U   8           H5         U   8   5.479   7.957   1.496
  199    H6     U   8           H6         U   8   7.746   7.179   1.521
  200   1H5*    G   9          1H5*        G   9  12.346   7.999  -2.901
  201   2H5*    G   9          2H5*        G   9  12.906   9.637  -3.275
  202    H4*    G   9           H4*        G   9  11.971   8.533  -5.239
  203    H3*    G   9           H3*        G   9  10.405  10.906  -4.217
  204    H2*    G   9           H2*        G   9   9.073  10.684  -6.253
  205   2HO*    G   9          2HO*        G   9  11.143   9.954  -7.391
  206    H1*    G   9           H1*        G   9   8.719   8.056  -6.042
  207    H8     G   9           H8         G   9   8.891   9.053  -2.474
  208    H1     G   9           H1         G   9   3.192  10.268  -5.186
  209   1H2     G   9          1H2         G   9   4.995   9.953  -8.162
  210   2H2     G   9          2H2         G   9   3.453  10.376  -7.409
  211   1H5*    C  10          1H5*        C  10  10.631  11.791  -8.271
  212   2H5*    C  10          2H5*        C  10  11.173  13.467  -8.459
  213    H4*    C  10           H4*        C  10   9.021  13.217  -9.541
  214    H3*    C  10           H3*        C  10   8.826  14.738  -6.912
  215    H2*    C  10           H2*        C  10   6.581  15.226  -7.515
  216   2HO*    C  10          2HO*        C  10   7.274  15.461  -9.843
  217    H1*    C  10           H1*        C  10   6.031  12.668  -8.410
  218   1H4     C  10          1H4         C  10   5.651  12.751  -1.768
  219   2H4     C  10          2H4         C  10   4.062  13.175  -2.398
  220    H5     C  10           H5         C  10   7.604  12.475  -3.269
  221    H6     C  10           H6         C  10   8.291  12.402  -5.582
  222    H3T    C  10           H3T        C  10  10.119  15.736  -8.482
  Start of MODEL   13
    1   1H5*    G   1          1H5*        G   1  -6.671  15.032  -2.119
    2   2H5*    G   1          2H5*        G   1  -7.418  13.696  -3.009
    3    H4*    G   1           H4*        G   1  -6.234  15.050  -4.594
    4    H3*    G   1           H3*        G   1  -4.683  12.516  -3.967
    5    H2*    G   1           H2*        G   1  -3.217  13.153  -5.749
    6   2HO*    G   1          2HO*        G   1  -5.098  14.031  -7.010
    7    H1*    G   1           H1*        G   1  -3.008  15.713  -4.989
    8    H8     G   1           H8         G   1  -3.204  13.719  -1.791
    9    H1     G   1           H1         G   1   2.609  13.735  -4.552
   10   1H2     G   1          1H2         G   1   0.831  14.826  -7.358
   11   2H2     G   1          2H2         G   1   2.388  14.304  -6.714
   12    H5T    G   1           H5T        G   1  -5.838  12.319  -2.250
   13   1H5*    C   2          1H5*        C   2  -4.891  12.462  -8.172
   14   2H5*    C   2          2H5*        C   2  -5.127  10.793  -8.710
   15    H4*    C   2           H4*        C   2  -3.062  11.786  -9.627
   16    H3*    C   2           H3*        C   2  -2.680   9.496  -7.692
   17    H2*    C   2           H2*        C   2  -0.339   9.574  -8.315
   18   2HO*    C   2          2HO*        C   2  -0.911  10.076 -10.588
   19    H1*    C   2           H1*        C   2  -0.156  12.301  -8.191
   20   1H4     C   2          1H4         C   2   0.223  10.009  -1.968
   21   2H4     C   2          2H4         C   2   1.850   9.987  -2.648
   22    H5     C   2           H5         C   2  -1.748  10.571  -3.366
   23    H6     C   2           H6         C   2  -2.440  11.283  -5.571
   24   1H5*    A   3          1H5*        A   3  -0.690   8.474 -11.445
   25   2H5*    A   3          2H5*        A   3  -0.765   6.725 -11.719
   26    H4*    A   3           H4*        A   3   1.571   7.714 -11.566
   27    H3*    A   3           H3*        A   3   0.711   5.514  -9.681
   28    H2*    A   3           H2*        A   3   2.952   5.514  -8.818
   29   2HO*    A   3          2HO*        A   3   3.815   5.837 -11.043
   30    H1*    A   3           H1*        A   3   3.236   8.255  -8.780
   31    H8     A   3           H8         A   3  -0.236   7.571  -7.465
   32   1H6     A   3          1H6         A   3   2.646   6.980  -1.971
   33   2H6     A   3          2H6         A   3   1.074   7.142  -2.757
   34    H2     A   3           H2         A   3   5.694   6.634  -5.137
   35   1H5*    G   4          1H5*        G   4   4.393   3.828 -11.384
   36   2H5*    G   4          2H5*        G   4   4.149   2.073 -11.502
   37    H4*    G   4           H4*        G   4   5.977   2.711  -9.915
   38    H3*    G   4           H3*        G   4   3.550   1.339  -8.747
   39    H2*    G   4           H2*        G   4   4.661   1.356  -6.626
   40   2HO*    G   4          2HO*        G   4   6.762   0.892  -7.115
   41    H1*    G   4           H1*        G   4   5.531   3.935  -6.815
   42    H8     G   4           H8         G   4   1.950   3.539  -8.231
   43    H1     G   4           H1         G   4   2.381   3.724  -1.809
   44   1H2     G   4          1H2         G   4   5.810   3.511  -2.475
   45   2H2     G   4          2H2         G   4   4.580   3.556  -1.224
   46   1H5*    G   5          1H5*        G   5   7.646  -0.671  -7.804
   47   2H5*    G   5          2H5*        G   5   7.348  -2.404  -7.588
   48    H4*    G   5           H4*        G   5   8.690  -1.324  -5.750
   49    H3*    G   5           H3*        G   5   6.062  -2.648  -5.035
   50    H2*    G   5           H2*        G   5   6.700  -2.281  -2.721
   51   2HO*    G   5          2HO*        G   5   9.022  -2.694  -3.313
   52    H1*    G   5           H1*        G   5   7.509   0.284  -3.113
   53    H8     G   5           H8         G   5   4.426  -0.275  -5.277
   54    H1     G   5           H1         G   5   3.149   0.796   0.941
   55   1H2     G   5          1H2         G   5   6.493  -0.089   1.381
   56   2H2     G   5          2H2         G   5   4.977   0.357   2.163
   57   1H5*    C   6          1H5*        C   6   9.105  -4.266  -2.330
   58   2H5*    C   6          2H5*        C   6   8.777  -5.990  -2.105
   59    H4*    C   6           H4*        C   6   8.822  -4.745   0.044
   60    H3*    C   6           H3*        C   6   6.174  -5.935  -0.795
   61    H2*    C   6           H2*        C   6   5.372  -5.380   1.385
   62   2HO*    C   6          2HO*        C   6   7.147  -5.959   2.606
   63    H1*    C   6           H1*        C   6   6.552  -2.891   1.428
   64   1H4     C   6          1H4         C   6   0.840  -2.403  -1.934
   65   2H4     C   6          2H4         C   6   0.479  -2.045  -0.253
   66    H5     C   6           H5         C   6   3.056  -3.205  -2.656
   67    H6     C   6           H6         C   6   5.298  -3.694  -1.918
   68   1H5*    G   7          1H5*        G   7   6.585  -9.401   3.356
   69   2H5*    G   7          2H5*        G   7   4.892  -9.203   2.843
   70    H4*    G   7           H4*        G   7   6.429  -7.785   5.015
   71    H3*    G   7           H3*        G   7   3.610  -8.826   4.616
   72    H2*    G   7           H2*        G   7   2.857  -7.344   6.320
   73   2HO*    G   7          2HO*        G   7   5.009  -7.815   7.487
   74    H1*    G   7           H1*        G   7   4.438  -5.212   5.539
   75    H8     G   7           H8         G   7   1.693  -4.950   6.019
   76    H1     G   7           H1         G   7   0.921  -5.742  -0.311
   77   1H2     G   7          1H2         G   7   2.735  -6.805  -1.177
   78   2H2     G   7          2H2         G   7   4.036  -7.352  -0.138
   79   1H5*    U   8          1H5*        U   8   3.466  -8.739   8.668
   80   2H5*    U   8          2H5*        U   8   2.721 -10.236   9.252
   81    H4*    U   8           H4*        U   8   1.368  -8.277   9.842
   82    H3*    U   8           H3*        U   8   0.111 -10.101   7.767
   83    H2*    U   8           H2*        U   8  -1.896  -8.769   8.106
   84   2HO*    U   8          2HO*        U   8  -1.355  -8.548  10.457
   85    H1*    U   8           H1*        U   8  -0.586  -6.407   7.997
   86    H3     U   8           H3         U   8  -2.870  -6.625   4.052
   87    H5     U   8           H5         U   8   0.341  -9.289   3.524
   88    H6     U   8           H6         U   8   0.925  -8.994   5.829
   89   1H5*    G   9          1H5*        G   9  -2.734  -9.674  11.092
   90   2H5*    G   9          2H5*        G   9  -3.368 -11.285  11.462
   91    H4*    G   9           H4*        G   9  -5.162  -9.672  11.136
   92    H3*    G   9           H3*        G   9  -4.975 -11.855   9.057
   93    H2*    G   9           H2*        G   9  -7.091 -11.001   8.198
   94   2HO*    G   9          2HO*        G   9  -7.696 -10.483  10.540
   95    H1*    G   9           H1*        G   9  -6.388  -8.437   8.230
   96    H8     G   9           H8         G   9  -3.157 -10.124   7.505
   97    H1     G   9           H1         G   9  -6.986  -9.583   2.368
   98   1H2     G   9          1H2         G   9  -9.459  -9.055   4.779
   99   2H2     G   9          2H2         G   9  -9.098  -9.293   3.066
  100   1H5*    C  10          1H5*        C  10  -9.077 -11.952   9.969
  101   2H5*    C  10          2H5*        C  10  -9.526 -13.642  10.256
  102    H4*    C  10           H4*        C  10 -10.869 -12.761   8.439
  103    H3*    C  10           H3*        C  10  -8.718 -14.684   7.473
  104    H2*    C  10           H2*        C  10  -9.798 -14.604   5.355
  105   2HO*    C  10          2HO*        C  10 -11.961 -14.528   6.477
  106    H1*    C  10           H1*        C  10 -10.189 -11.863   5.419
  107   1H4     C  10          1H4         C  10  -3.914 -13.137   3.589
  108   2H4     C  10          2H4         C  10  -4.896 -13.089   2.129
  109    H5     C  10           H5         C  10  -4.936 -12.983   5.841
  110    H6     C  10           H6         C  10  -7.014 -12.614   7.021
  111    H3T    C  10           H3T        C  10 -10.223 -15.603   8.897
  112   1H5*    G   1          1H5*        G   1  -7.183 -13.024  -8.398
  113   2H5*    G   1          2H5*        G   1  -7.820 -11.415  -8.773
  114    H4*    G   1           H4*        G   1  -9.458 -12.551  -7.440
  115    H3*    G   1           H3*        G   1  -7.928 -10.527  -5.774
  116    H2*    G   1           H2*        G   1  -9.519 -10.971  -4.044
  117   2HO*    G   1          2HO*        G   1 -11.284 -11.209  -5.696
  118    H1*    G   1           H1*        G   1  -9.426 -13.636  -4.313
  119    H8     G   1           H8         G   1  -5.907 -12.424  -4.941
  120    H1     G   1           H1         G   1  -7.506 -12.838   1.280
  121   1H2     G   1          1H2         G   1 -10.767 -12.926   0.022
  122   2H2     G   1          2H2         G   1  -9.745 -12.852   1.458
  123    H5T    G   1           H5T        G   1  -6.461 -10.532  -7.241
  124   1H5*    C   2          1H5*        C   2 -11.928  -9.468  -5.071
  125   2H5*    C   2          2H5*        C   2 -12.060  -7.704  -4.987
  126    H4*    C   2           H4*        C   2 -12.804  -8.792  -2.900
  127    H3*    C   2           H3*        C   2 -10.294  -7.118  -2.670
  128    H2*    C   2           H2*        C   2 -10.503  -7.453  -0.279
  129   2HO*    C   2          2HO*        C   2 -12.899  -7.308  -0.433
  130    H1*    C   2           H1*        C   2 -11.078 -10.125  -0.476
  131   1H4     C   2          1H4         C   2  -4.497  -9.450  -1.110
  132   2H4     C   2          2H4         C   2  -4.857  -9.559   0.612
  133    H5     C   2           H5         C   2  -6.306  -9.312  -2.799
  134    H6     C   2           H6         C   2  -8.704  -9.358  -3.104
  135   1H5*    A   3          1H5*        A   3 -13.191  -5.614   0.210
  136   2H5*    A   3          2H5*        A   3 -13.014  -3.862   0.414
  137    H4*    A   3           H4*        A   3 -12.680  -5.245   2.517
  138    H3*    A   3           H3*        A   3 -10.447  -3.456   1.533
  139    H2*    A   3           H2*        A   3  -9.253  -4.064   3.530
  140   2HO*    A   3          2HO*        A   3 -11.309  -3.989   4.788
  141    H1*    A   3           H1*        A   3  -9.913  -6.736   3.436
  142    H8     A   3           H8         A   3  -9.100  -5.795  -0.121
  143   1H6     A   3          1H6         A   3  -3.212  -6.963   1.548
  144   2H6     A   3          2H6         A   3  -4.284  -6.669   0.177
  145    H2     A   3           H2         A   3  -5.575  -6.425   5.230
  146   1H5*    G   4          1H5*        G   4 -10.911  -2.116   5.663
  147   2H5*    G   4          2H5*        G   4 -10.574  -0.373   5.716
  148    H4*    G   4           H4*        G   4  -8.931  -1.743   7.020
  149    H3*    G   4           H3*        G   4  -7.847  -0.245   4.627
  150    H2*    G   4           H2*        G   4  -5.656  -1.014   5.276
  151   2HO*    G   4          2HO*        G   4  -5.591  -0.975   7.451
  152    H1*    G   4           H1*        G   4  -6.442  -3.588   5.691
  153    H8     G   4           H8         G   4  -8.339  -2.198   2.644
  154    H1     G   4           H1         G   4  -2.200  -3.795   1.547
  155   1H2     G   4          1H2         G   4  -2.116  -4.098   5.032
  156   2H2     G   4          2H2         G   4  -1.186  -4.204   3.548
  157   1H5*    G   5          1H5*        G   5  -5.706   0.508   8.589
  158   2H5*    G   5          2H5*        G   5  -5.032   2.144   8.600
  159    H4*    G   5           H4*        G   5  -3.412   0.299   9.216
  160    H3*    G   5           H3*        G   5  -2.762   2.066   6.844
  161    H2*    G   5           H2*        G   5  -0.581   0.982   6.887
  162   2HO*    G   5          2HO*        G   5  -0.679   0.896   9.311
  163    H1*    G   5           H1*        G   5  -1.603  -1.524   7.196
  164    H8     G   5           H8         G   5  -3.934   0.267   4.806
  165    H1     G   5           H1         G   5   1.499  -1.869   2.084
  166   1H2     G   5          1H2         G   5   2.643  -2.015   5.372
  167   2H2     G   5          2H2         G   5   3.042  -2.228   3.668
  168   1H5*    C   6          1H5*        C   6   0.654   2.112   9.566
  169   2H5*    C   6          2H5*        C   6   1.354   3.737   9.596
  170    H4*    C   6           H4*        C   6   3.003   1.993   8.941
  171    H3*    C   6           H3*        C   6   2.280   4.034   6.824
  172    H2*    C   6           H2*        C   6   4.143   3.123   5.577
  173   2HO*    C   6          2HO*        C   6   5.633   2.755   7.182
  174    H1*    C   6           H1*        C   6   3.447   0.520   6.085
  175   1H4     C   6          1H4         C   6  -0.629   2.417   1.225
  176   2H4     C   6          2H4         C   6   0.812   1.767   0.460
  177    H5     C   6           H5         C   6  -0.766   2.781   3.659
  178    H6     C   6           H6         C   6   0.394   2.492   5.749
  179   1H5*    G   7          1H5*        G   7   6.577   4.170   7.844
  180   2H5*    G   7          2H5*        G   7   7.252   5.790   7.597
  181    H4*    G   7           H4*        G   7   8.403   3.945   6.309
  182    H3*    G   7           H3*        G   7   7.091   6.141   4.670
  183    H2*    G   7           H2*        G   7   8.256   5.150   2.814
  184   2HO*    G   7          2HO*        G   7  10.159   4.751   4.332
  185    H1*    G   7           H1*        G   7   7.850   2.527   3.739
  186    H8     G   7           H8         G   7   7.521   2.777   1.105
  187    H1     G   7           H1         G   7   1.685   5.310   1.996
  188   1H2     G   7          1H2         G   7   1.480   6.027   4.139
  189   2H2     G   7          2H2         G   7   2.817   5.903   5.264
  190   1H5*    U   8          1H5*        U   8  11.143   6.003   3.274
  191   2H5*    U   8          2H5*        U   8  11.658   7.632   2.822
  192    H4*    U   8           H4*        U   8  11.705   6.020   0.927
  193    H3*    U   8           H3*        U   8   9.739   8.317   0.677
  194    H2*    U   8           H2*        U   8   9.525   7.577  -1.639
  195   2HO*    U   8          2HO*        U   8  11.866   6.976  -1.684
  196    H1*    U   8           H1*        U   8   9.267   4.968  -0.972
  197    H3     U   8           H3         U   8   5.099   6.320  -2.281
  198    H5     U   8           H5         U   8   5.536   7.910   1.587
  199    H6     U   8           H6         U   8   7.825   7.196   1.590
  200   1H5*    G   9          1H5*        G   9  12.421   8.369  -2.787
  201   2H5*    G   9          2H5*        G   9  12.913  10.043  -3.090
  202    H4*    G   9           H4*        G   9  12.036   8.984  -5.104
  203    H3*    G   9           H3*        G   9  10.359  11.241  -3.999
  204    H2*    G   9           H2*        G   9   9.063  11.047  -6.063
  205   2HO*    G   9          2HO*        G   9  11.164  10.462  -7.211
  206    H1*    G   9           H1*        G   9   8.815   8.403  -5.955
  207    H8     G   9           H8         G   9   8.919   9.285  -2.351
  208    H1     G   9           H1         G   9   3.197  10.365  -5.072
  209   1H2     G   9          1H2         G   9   5.028  10.191  -8.042
  210   2H2     G   9          2H2         G   9   3.467  10.537  -7.290
  211   1H5*    C  10          1H5*        C  10  10.637  12.310  -8.033
  212   2H5*    C  10          2H5*        C  10  11.069  14.026  -8.134
  213    H4*    C  10           H4*        C  10   8.958  13.646  -9.283
  214    H3*    C  10           H3*        C  10   8.667  15.129  -6.650
  215    H2*    C  10           H2*        C  10   6.387  15.490  -7.240
  216   2HO*    C  10          2HO*        C  10   7.151  15.707  -9.612
  217    H1*    C  10           H1*        C  10   5.980  12.923  -8.185
  218   1H4     C  10          1H4         C  10   5.540  12.856  -1.550
  219   2H4     C  10          2H4         C  10   3.939  13.224  -2.185
  220    H5     C  10           H5         C  10   7.517  12.703  -3.040
  221    H6     C  10           H6         C  10   8.224  12.712  -5.347
  222    H3T    C  10           H3T        C  10   8.840  16.900  -7.935
  Start of MODEL   14
    1   1H5*    G   1          1H5*        G   1  -5.809  15.985  -2.163
    2   2H5*    G   1          2H5*        G   1  -6.675  14.777  -3.126
    3    H4*    G   1           H4*        G   1  -5.338  16.084  -4.629
    4    H3*    G   1           H3*        G   1  -4.070  13.372  -4.125
    5    H2*    G   1           H2*        G   1  -2.516  13.943  -5.852
    6   2HO*    G   1          2HO*        G   1  -4.284  15.082  -7.080
    7    H1*    G   1           H1*        G   1  -2.057  16.426  -4.964
    8    H8     G   1           H8         G   1  -2.489  14.329  -1.866
    9    H1     G   1           H1         G   1   3.314  13.842  -4.603
   10   1H2     G   1          1H2         G   1   1.675  15.205  -7.375
   11   2H2     G   1          2H2         G   1   3.165  14.500  -6.746
   12    H5T    G   1           H5T        G   1  -5.250  13.212  -2.425
   13   1H5*    C   2          1H5*        C   2  -4.183  13.585  -8.318
   14   2H5*    C   2          2H5*        C   2  -4.600  11.992  -8.964
   15    H4*    C   2           H4*        C   2  -2.416  12.788  -9.790
   16    H3*    C   2           H3*        C   2  -2.358  10.350  -8.009
   17    H2*    C   2           H2*        C   2  -0.006  10.180  -8.583
   18   2HO*    C   2          2HO*        C   2  -0.472  10.897 -10.831
   19    H1*    C   2           H1*        C   2   0.505  12.851  -8.291
   20   1H4     C   2          1H4         C   2   0.496  10.352  -2.156
   21   2H4     C   2          2H4         C   2   2.121  10.161  -2.814
   22    H5     C   2           H5         C   2  -1.378  11.148  -3.575
   23    H6     C   2           H6         C   2  -1.941  11.994  -5.771
   24   1H5*    A   3          1H5*        A   3  -0.430   9.374 -11.779
   25   2H5*    A   3          2H5*        A   3  -0.752   7.689 -12.221
   26    H4*    A   3           H4*        A   3   1.700   8.258 -11.938
   27    H3*    A   3           H3*        A   3   0.408   6.128 -10.233
   28    H2*    A   3           H2*        A   3   2.513   5.703  -9.236
   29   2HO*    A   3          2HO*        A   3   3.715   5.709 -11.184
   30    H1*    A   3           H1*        A   3   3.352   8.359  -9.145
   31    H8     A   3           H8         A   3  -0.219   8.098  -7.870
   32   1H6     A   3          1H6         A   3   2.516   7.135  -2.354
   33   2H6     A   3          2H6         A   3   0.971   7.435  -3.153
   34    H2     A   3           H2         A   3   5.572   6.602  -5.479
   35   1H5*    G   4          1H5*        G   4   2.928   1.721 -11.255
   36   2H5*    G   4          2H5*        G   4   2.054   2.533  -9.946
   37    H4*    G   4           H4*        G   4   5.060   2.650 -10.443
   38    H3*    G   4           H3*        G   4   3.253   1.282  -8.445
   39    H2*    G   4           H2*        G   4   4.831   1.683  -6.682
   40   2HO*    G   4          2HO*        G   4   6.676   1.364  -8.198
   41    H1*    G   4           H1*        G   4   5.193   4.299  -7.254
   42    H8     G   4           H8         G   4   1.622   3.882  -8.344
   43    H1     G   4           H1         G   4   2.307   3.846  -1.954
   44   1H2     G   4          1H2         G   4   5.718   3.560  -2.740
   45   2H2     G   4          2H2         G   4   4.533   3.620  -1.445
   46   1H5*    G   5          1H5*        G   5   7.275  -0.312  -7.749
   47   2H5*    G   5          2H5*        G   5   7.161  -2.051  -7.446
   48    H4*    G   5           H4*        G   5   8.361  -0.750  -5.668
   49    H3*    G   5           H3*        G   5   5.862  -2.271  -4.873
   50    H2*    G   5           H2*        G   5   6.481  -1.739  -2.591
   51   2HO*    G   5          2HO*        G   5   8.833  -1.947  -3.205
   52    H1*    G   5           H1*        G   5   7.016   0.873  -3.123
   53    H8     G   5           H8         G   5   4.022   0.088  -5.291
   54    H1     G   5           H1         G   5   2.628   0.817   0.955
   55   1H2     G   5          1H2         G   5   6.058   0.282   1.369
   56   2H2     G   5          2H2         G   5   4.503   0.526   2.167
   57   1H5*    C   6          1H5*        C   6   8.993  -3.462  -2.114
   58   2H5*    C   6          2H5*        C   6   8.907  -5.220  -1.927
   59    H4*    C   6           H4*        C   6   8.805  -4.079   0.249
   60    H3*    C   6           H3*        C   6   6.286  -5.503  -0.625
   61    H2*    C   6           H2*        C   6   5.460  -5.140   1.587
   62   2HO*    C   6          2HO*        C   6   7.373  -5.586   2.716
   63    H1*    C   6           H1*        C   6   6.359  -2.537   1.725
   64   1H4     C   6          1H4         C   6   0.665  -2.403  -1.689
   65   2H4     C   6          2H4         C   6   0.256  -2.188   0.006
   66    H5     C   6           H5         C   6   2.961  -2.926  -2.422
   67    H6     C   6           H6         C   6   5.228  -3.240  -1.681
   68   1H5*    G   7          1H5*        G   7   6.068  -9.320   3.172
   69   2H5*    G   7          2H5*        G   7   4.912  -8.217   2.396
   70    H4*    G   7           H4*        G   7   6.510  -7.538   4.904
   71    H3*    G   7           H3*        G   7   3.720  -8.628   4.486
   72    H2*    G   7           H2*        G   7   2.931  -7.261   6.285
   73   2HO*    G   7          2HO*        G   7   5.138  -7.669   7.377
   74    H1*    G   7           H1*        G   7   4.323  -5.011   5.545
   75    H8     G   7           H8         G   7   1.549  -5.070   5.983
   76    H1     G   7           H1         G   7   0.945  -5.825  -0.371
   77   1H2     G   7          1H2         G   7   2.917  -6.647  -1.226
   78   2H2     G   7          2H2         G   7   4.248  -7.035  -0.147
   79   1H5*    U   8          1H5*        U   8   3.656  -8.754   8.525
   80   2H5*    U   8          2H5*        U   8   3.022 -10.316   9.072
   81    H4*    U   8           H4*        U   8   1.579  -8.452   9.776
   82    H3*    U   8           H3*        U   8   0.356 -10.294   7.696
   83    H2*    U   8           H2*        U   8  -1.714  -9.098   8.155
   84   2HO*    U   8          2HO*        U   8  -1.099  -8.894  10.484
   85    H1*    U   8           H1*        U   8  -0.554  -6.661   8.042
   86    H3     U   8           H3         U   8  -2.977  -6.975   4.183
   87    H5     U   8           H5         U   8   0.413  -9.359   3.472
   88    H6     U   8           H6         U   8   1.057  -9.073   5.760
   89   1H5*    G   9          1H5*        G   9  -2.371 -10.111  11.132
   90   2H5*    G   9          2H5*        G   9  -2.963 -11.749  11.448
   91    H4*    G   9           H4*        G   9  -4.790 -10.146  11.219
   92    H3*    G   9           H3*        G   9  -4.629 -12.262   9.072
   93    H2*    G   9           H2*        G   9  -6.788 -11.414   8.314
   94   2HO*    G   9          2HO*        G   9  -7.332 -10.983  10.679
   95    H1*    G   9           H1*        G   9  -6.113  -8.846   8.393
   96    H8     G   9           H8         G   9  -2.901 -10.513   7.517
   97    H1     G   9           H1         G   9  -6.897  -9.866   2.522
   98   1H2     G   9          1H2         G   9  -9.286  -9.351   5.017
   99   2H2     G   9          2H2         G   9  -8.982  -9.579   3.291
  100   1H5*    C  10          1H5*        C  10  -8.699 -12.472  10.199
  101   2H5*    C  10          2H5*        C  10  -9.134 -14.182  10.372
  102    H4*    C  10           H4*        C  10 -10.532 -13.088   8.676
  103    H3*    C  10           H3*        C  10  -8.562 -15.136   7.611
  104    H2*    C  10           H2*        C  10  -9.579 -14.877   5.486
  105   2HO*    C  10          2HO*        C  10 -11.529 -13.700   5.226
  106    H1*    C  10           H1*        C  10  -9.872 -12.108   5.667
  107   1H4     C  10          1H4         C  10  -3.718 -13.469   3.596
  108   2H4     C  10          2H4         C  10  -4.744 -13.373   2.168
  109    H5     C  10           H5         C  10  -4.666 -13.376   5.882
  110    H6     C  10           H6         C  10  -6.703 -13.017   7.139
  111    H3T    C  10           H3T        C  10 -11.351 -15.339   7.741
  112   1H5*    G   1          1H5*        G   1  -7.375 -13.339  -8.275
  113   2H5*    G   1          2H5*        G   1  -8.056 -11.742  -8.626
  114    H4*    G   1           H4*        G   1  -9.620 -12.910  -7.232
  115    H3*    G   1           H3*        G   1  -8.071 -10.851  -5.627
  116    H2*    G   1           H2*        G   1  -9.587 -11.325  -3.837
  117   2HO*    G   1          2HO*        G   1 -11.405 -11.608  -5.426
  118    H1*    G   1           H1*        G   1  -9.447 -13.988  -4.106
  119    H8     G   1           H8         G   1  -5.980 -12.709  -4.867
  120    H1     G   1           H1         G   1  -7.344 -13.120   1.409
  121   1H2     G   1          1H2         G   1 -10.645 -13.266   0.268
  122   2H2     G   1          2H2         G   1  -9.575 -13.163   1.667
  123    H5T    G   1           H5T        G   1  -6.658 -10.833  -7.145
  124   1H5*    C   2          1H5*        C   2 -12.073  -9.904  -4.769
  125   2H5*    C   2          2H5*        C   2 -12.253  -8.145  -4.693
  126    H4*    C   2           H4*        C   2 -12.901  -9.232  -2.577
  127    H3*    C   2           H3*        C   2 -10.428  -7.496  -2.439
  128    H2*    C   2           H2*        C   2 -10.565  -7.805  -0.037
  129   2HO*    C   2          2HO*        C   2 -12.963  -7.717  -0.118
  130    H1*    C   2           H1*        C   2 -11.078 -10.493  -0.191
  131   1H4     C   2          1H4         C   2  -4.537  -9.705  -1.029
  132   2H4     C   2          2H4         C   2  -4.839  -9.808   0.704
  133    H5     C   2           H5         C   2  -6.396  -9.608  -2.661
  134    H6     C   2           H6         C   2  -8.801  -9.698  -2.893
  135   1H5*    A   3          1H5*        A   3 -13.307  -6.014   0.472
  136   2H5*    A   3          2H5*        A   3 -13.172  -4.255   0.643
  137    H4*    A   3           H4*        A   3 -12.766  -5.579   2.766
  138    H3*    A   3           H3*        A   3 -10.573  -3.789   1.694
  139    H2*    A   3           H2*        A   3  -9.341  -4.324   3.691
  140   2HO*    A   3          2HO*        A   3 -11.366  -4.246   4.987
  141    H1*    A   3           H1*        A   3  -9.966  -7.009   3.665
  142    H8     A   3           H8         A   3  -9.224  -6.091   0.078
  143   1H6     A   3          1H6         A   3  -3.302  -7.214   1.652
  144   2H6     A   3          2H6         A   3  -4.399  -6.929   0.300
  145    H2     A   3           H2         A   3  -5.611  -6.692   5.374
  146   1H5*    G   4          1H5*        G   4 -11.045  -2.364   5.805
  147   2H5*    G   4          2H5*        G   4 -10.731  -0.616   5.822
  148    H4*    G   4           H4*        G   4  -9.080  -1.933   7.169
  149    H3*    G   4           H3*        G   4  -7.996  -0.484   4.745
  150    H2*    G   4           H2*        G   4  -5.805  -1.197   5.446
  151   2HO*    G   4          2HO*        G   4  -5.787  -1.071   7.627
  152    H1*    G   4           H1*        G   4  -6.556  -3.770   5.934
  153    H8     G   4           H8         G   4  -8.404  -2.450   2.818
  154    H1     G   4           H1         G   4  -2.260  -4.114   1.845
  155   1H2     G   4          1H2         G   4  -2.248  -4.340   5.351
  156   2H2     G   4          2H2         G   4  -1.276  -4.470   3.897
  157   1H5*    G   5          1H5*        G   5  -5.944   0.503   8.752
  158   2H5*    G   5          2H5*        G   5  -5.290   2.147   8.675
  159    H4*    G   5           H4*        G   5  -3.656   0.382   9.439
  160    H3*    G   5           H3*        G   5  -2.982   1.959   6.942
  161    H2*    G   5           H2*        G   5  -0.815   0.868   7.074
  162   2HO*    G   5          2HO*        G   5  -0.904   0.971   9.493
  163    H1*    G   5           H1*        G   5  -1.840  -1.609   7.541
  164    H8     G   5           H8         G   5  -4.165   0.101   5.070
  165    H1     G   5           H1         G   5   1.278  -2.063   2.404
  166   1H2     G   5          1H2         G   5   2.423  -2.125   5.697
  167   2H2     G   5          2H2         G   5   2.830  -2.326   3.993
  168   1H5*    C   6          1H5*        C   6   0.461   2.276   9.599
  169   2H5*    C   6          2H5*        C   6   1.211   3.875   9.447
  170    H4*    C   6           H4*        C   6   2.736   1.936   8.866
  171    H3*    C   6           H3*        C   6   2.129   4.019   6.756
  172    H2*    C   6           H2*        C   6   3.599   2.902   5.315
  173   2HO*    C   6          2HO*        C   6   5.172   2.520   7.047
  174    H1*    C   6           H1*        C   6   2.868   0.337   6.008
  175   1H4     C   6          1H4         C   6  -1.317   2.290   1.267
  176   2H4     C   6          2H4         C   6   0.115   1.646   0.472
  177    H5     C   6           H5         C   6  -1.372   2.668   3.726
  178    H6     C   6           H6         C   6  -0.132   2.384   5.771
  179   1H5*    G   7          1H5*        G   7   5.403   7.414   6.216
  180   2H5*    G   7          2H5*        G   7   4.673   6.810   4.733
  181    H4*    G   7           H4*        G   7   6.661   5.369   6.534
  182    H3*    G   7           H3*        G   7   6.653   6.671   3.825
  183    H2*    G   7           H2*        G   7   7.902   4.967   2.787
  184   2HO*    G   7          2HO*        G   7   9.127   4.828   5.001
  185    H1*    G   7           H1*        G   7   6.731   2.831   3.959
  186    H8     G   7           H8         G   7   6.862   3.349   1.135
  187    H1     G   7           H1         G   7   0.695   5.073   1.735
  188   1H2     G   7          1H2         G   7   0.270   5.567   3.965
  189   2H2     G   7          2H2         G   7   1.592   5.491   5.118
  190   1H5*    U   8          1H5*        U   8  10.407   5.816   3.373
  191   2H5*    U   8          2H5*        U   8  11.334   7.266   2.944
  192    H4*    U   8           H4*        U   8  11.355   5.650   1.110
  193    H3*    U   8           H3*        U   8   9.687   8.120   0.522
  194    H2*    U   8           H2*        U   8   9.632   7.264  -1.765
  195   2HO*    U   8          2HO*        U   8  11.891   6.406  -1.483
  196    H1*    U   8           H1*        U   8   9.010   4.750  -0.995
  197    H3     U   8           H3         U   8   5.045   6.344  -2.631
  198    H5     U   8           H5         U   8   5.398   8.103   1.170
  199    H6     U   8           H6         U   8   7.633   7.271   1.316
  200   1H5*    G   9          1H5*        G   9  12.510   7.772  -2.704
  201   2H5*    G   9          2H5*        G   9  13.198   9.368  -3.045
  202    H4*    G   9           H4*        G   9  12.255   8.361  -5.051
  203    H3*    G   9           H3*        G   9  10.795  10.807  -4.042
  204    H2*    G   9           H2*        G   9   9.512  10.685  -6.117
  205   2HO*    G   9          2HO*        G   9  11.573   9.858  -7.205
  206    H1*    G   9           H1*        G   9   9.014   8.075  -5.960
  207    H8     G   9           H8         G   9   9.132   9.062  -2.376
  208    H1     G   9           H1         G   9   3.551  10.465  -5.233
  209   1H2     G   9          1H2         G   9   5.424  10.141  -8.163
  210   2H2     G   9          2H2         G   9   3.881  10.610  -7.441
  211   1H5*    C  10          1H5*        C  10  11.175  11.754  -8.060
  212   2H5*    C  10          2H5*        C  10  11.797  13.407  -8.202
  213    H4*    C  10           H4*        C  10   9.651  13.283  -9.319
  214    H3*    C  10           H3*        C  10   9.482  14.745  -6.655
  215    H2*    C  10           H2*        C  10   7.267  15.342  -7.272
  216   2HO*    C  10          2HO*        C  10   8.002  15.605  -9.585
  217    H1*    C  10           H1*        C  10   6.623  12.833  -8.241
  218   1H4     C  10          1H4         C  10   6.149  12.725  -1.609
  219   2H4     C  10          2H4         C  10   4.580  13.208  -2.249
  220    H5     C  10           H5         C  10   8.120  12.453  -3.085
  221    H6     C  10           H6         C  10   8.840  12.425  -5.387
  222    H3T    C  10           H3T        C  10  10.837  15.726  -8.184
  Start of MODEL   15
    1   1H5*    G   1          1H5*        G   1  -6.559  15.227  -2.014
    2   2H5*    G   1          2H5*        G   1  -7.191  13.761  -2.785
    3    H4*    G   1           H4*        G   1  -6.129  15.191  -4.445
    4    H3*    G   1           H3*        G   1  -4.652  12.617  -3.841
    5    H2*    G   1           H2*        G   1  -3.156  13.195  -5.628
    6   2HO*    G   1          2HO*        G   1  -5.037  14.125  -6.870
    7    H1*    G   1           H1*        G   1  -2.850  15.758  -4.943
    8    H8     G   1           H8         G   1  -3.052  13.844  -1.687
    9    H1     G   1           H1         G   1   2.712  13.680  -4.542
   10   1H2     G   1          1H2         G   1   0.914  14.770  -7.335
   11   2H2     G   1          2H2         G   1   2.470  14.226  -6.708
   12    H5T    G   1           H5T        G   1  -6.130  13.182  -0.905
   13   1H5*    C   2          1H5*        C   2  -4.829  12.637  -8.129
   14   2H5*    C   2          2H5*        C   2  -5.128  10.975  -8.661
   15    H4*    C   2           H4*        C   2  -3.008  11.883  -9.554
   16    H3*    C   2           H3*        C   2  -2.729   9.586  -7.604
   17    H2*    C   2           H2*        C   2  -0.386   9.567  -8.259
   18   2HO*    C   2          2HO*        C   2  -0.949  10.086 -10.523
   19    H1*    C   2           H1*        C   2  -0.117  12.292  -8.134
   20   1H4     C   2          1H4         C   2   0.265  10.045  -1.899
   21   2H4     C   2          2H4         C   2   1.886   9.985  -2.592
   22    H5     C   2           H5         C   2  -1.709  10.617  -3.289
   23    H6     C   2           H6         C   2  -2.408  11.315  -5.494
   24   1H5*    A   3          1H5*        A   3  -0.810   8.470 -11.371
   25   2H5*    A   3          2H5*        A   3  -0.948   6.723 -11.634
   26    H4*    A   3           H4*        A   3   1.422   7.631 -11.519
   27    H3*    A   3           H3*        A   3   0.513   5.476  -9.606
   28    H2*    A   3           H2*        A   3   2.764   5.403  -8.772
   29   2HO*    A   3          2HO*        A   3   3.605   5.680 -11.012
   30    H1*    A   3           H1*        A   3   3.143   8.135  -8.763
   31    H8     A   3           H8         A   3  -0.331   7.570  -7.393
   32   1H6     A   3          1H6         A   3   2.611   6.973  -1.933
   33   2H6     A   3          2H6         A   3   1.033   7.168  -2.701
   34    H2     A   3           H2         A   3   5.603   6.495  -5.136
   35   1H5*    G   4          1H5*        G   4   4.118   3.663 -11.344
   36   2H5*    G   4          2H5*        G   4   3.812   1.917 -11.454
   37    H4*    G   4           H4*        G   4   5.684   2.488  -9.897
   38    H3*    G   4           H3*        G   4   3.224   1.216  -8.686
   39    H2*    G   4           H2*        G   4   4.373   1.191  -6.584
   40   2HO*    G   4          2HO*        G   4   6.444   0.644  -7.096
   41    H1*    G   4           H1*        G   4   5.346   3.732  -6.797
   42    H8     G   4           H8         G   4   1.725   3.448  -8.144
   43    H1     G   4           H1         G   4   2.283   3.750  -1.737
   44   1H2     G   4          1H2         G   4   5.691   3.405  -2.453
   45   2H2     G   4          2H2         G   4   4.484   3.522  -1.186
   46   1H5*    G   5          1H5*        G   5   7.244  -0.959  -7.820
   47   2H5*    G   5          2H5*        G   5   6.883  -2.679  -7.593
   48    H4*    G   5           H4*        G   5   8.293  -1.643  -5.778
   49    H3*    G   5           H3*        G   5   5.630  -2.870  -5.027
   50    H2*    G   5           H2*        G   5   6.298  -2.507  -2.723
   51   2HO*    G   5          2HO*        G   5   8.589  -3.027  -3.301
   52    H1*    G   5           H1*        G   5   7.221   0.015  -3.136
   53    H8     G   5           H8         G   5   4.064  -0.452  -5.230
   54    H1     G   5           H1         G   5   2.998   0.895   0.977
   55   1H2     G   5          1H2         G   5   6.311  -0.124   1.368
   56   2H2     G   5          2H2         G   5   4.837   0.420   2.168
   57   1H5*    C   6          1H5*        C   6   8.723  -4.614  -2.410
   58   2H5*    C   6          2H5*        C   6   8.304  -6.303  -2.085
   59    H4*    C   6           H4*        C   6   8.512  -4.907  -0.016
   60    H3*    C   6           H3*        C   6   5.805  -6.098  -0.642
   61    H2*    C   6           H2*        C   6   5.141  -5.355   1.550
   62   2HO*    C   6          2HO*        C   6   6.814  -5.701   2.864
   63    H1*    C   6           H1*        C   6   6.326  -2.894   1.311
   64   1H4     C   6          1H4         C   6   0.538  -2.419  -1.876
   65   2H4     C   6          2H4         C   6   0.254  -1.940  -0.211
   66    H5     C   6           H5         C   6   2.693  -3.373  -2.614
   67    H6     C   6           H6         C   6   4.933  -3.919  -1.914
   68   1H5*    G   7          1H5*        G   7   7.420  -7.452   3.289
   69   2H5*    G   7          2H5*        G   7   6.789  -9.049   3.721
   70    H4*    G   7           H4*        G   7   6.382  -7.203   5.414
   71    H3*    G   7           H3*        G   7   3.964  -8.618   4.254
   72    H2*    G   7           H2*        G   7   2.719  -7.447   5.949
   73   2HO*    G   7          2HO*        G   7   4.605  -7.808   7.481
   74    H1*    G   7           H1*        G   7   4.233  -5.102   5.703
   75    H8     G   7           H8         G   7   1.617  -4.661   5.967
   76    H1     G   7           H1         G   7   0.754  -5.918  -0.273
   77   1H2     G   7          1H2         G   7   3.843  -7.560  -0.021
   78   2H2     G   7          2H2         G   7   2.527  -7.080  -1.073
   79   1H5*    U   8          1H5*        U   8   3.594  -8.952   8.584
   80   2H5*    U   8          2H5*        U   8   2.778 -10.474   8.960
   81    H4*    U   8           H4*        U   8   1.548  -8.451   9.745
   82    H3*    U   8           H3*        U   8   0.167 -10.165   7.660
   83    H2*    U   8           H2*        U   8  -1.802  -8.806   8.168
   84   2HO*    U   8          2HO*        U   8  -1.111  -8.681  10.489
   85    H1*    U   8           H1*        U   8  -0.450  -6.472   8.042
   86    H3     U   8           H3         U   8  -2.896  -6.536   4.186
   87    H5     U   8           H5         U   8   0.281  -9.188   3.444
   88    H6     U   8           H6         U   8   0.930  -9.010   5.738
   89   1H5*    G   9          1H5*        G   9  -2.537  -9.840  11.050
   90   2H5*    G   9          2H5*        G   9  -3.211 -11.443  11.384
   91    H4*    G   9           H4*        G   9  -4.967  -9.778  11.112
   92    H3*    G   9           H3*        G   9  -4.844 -11.900   8.967
   93    H2*    G   9           H2*        G   9  -6.930 -10.957   8.131
   94   2HO*    G   9          2HO*        G   9  -7.535 -10.505  10.481
   95    H1*    G   9           H1*        G   9  -6.158  -8.418   8.244
   96    H8     G   9           H8         G   9  -2.979 -10.195   7.470
   97    H1     G   9           H1         G   9  -6.754  -9.379   2.339
   98   1H2     G   9          1H2         G   9  -9.234  -8.852   4.741
   99   2H2     G   9          2H2         G   9  -8.861  -9.079   3.028
  100   1H5*    C  10          1H5*        C  10  -8.940 -11.969   9.894
  101   2H5*    C  10          2H5*        C  10  -9.437 -13.663  10.056
  102    H4*    C  10           H4*        C  10 -10.696 -12.557   8.266
  103    H3*    C  10           H3*        C  10  -8.709 -14.654   7.339
  104    H2*    C  10           H2*        C  10  -9.569 -14.382   5.150
  105   2HO*    C  10          2HO*        C  10 -11.472 -13.165   4.752
  106    H1*    C  10           H1*        C  10  -9.820 -11.607   5.302
  107   1H4     C  10          1H4         C  10  -3.565 -13.043   3.646
  108   2H4     C  10          2H4         C  10  -4.491 -12.920   2.153
  109    H5     C  10           H5         C  10  -4.664 -12.969   5.864
  110    H6     C  10           H6         C  10  -6.775 -12.582   6.985
  111    H3T    C  10           H3T        C  10 -11.504 -14.792   7.279
  112   1H5*    G   1          1H5*        G   1  -6.968 -13.023  -8.716
  113   2H5*    G   1          2H5*        G   1  -7.419 -11.315  -8.871
  114    H4*    G   1           H4*        G   1  -8.987 -12.611  -7.438
  115    H3*    G   1           H3*        G   1  -7.414 -10.428  -6.031
  116    H2*    G   1           H2*        G   1  -8.907 -10.854  -4.169
  117   2HO*    G   1          2HO*        G   1 -10.736 -11.228  -5.707
  118    H1*    G   1           H1*        G   1  -8.774 -13.538  -4.380
  119    H8     G   1           H8         G   1  -5.261 -12.227  -4.951
  120    H1     G   1           H1         G   1  -7.017 -12.647   1.224
  121   1H2     G   1          1H2         G   1 -10.237 -12.844  -0.124
  122   2H2     G   1          2H2         G   1  -9.261 -12.717   1.340
  123    H5T    G   1           H5T        G   1  -5.443 -12.399  -7.145
  124   1H5*    C   2          1H5*        C   2 -11.606  -9.671  -5.146
  125   2H5*    C   2          2H5*        C   2 -11.850  -7.920  -5.073
  126    H4*    C   2           H4*        C   2 -12.490  -9.067  -2.969
  127    H3*    C   2           H3*        C   2 -10.162  -7.149  -2.783
  128    H2*    C   2           H2*        C   2 -10.350  -7.459  -0.371
  129   2HO*    C   2          2HO*        C   2 -12.756  -7.564  -0.572
  130    H1*    C   2           H1*        C   2 -10.671 -10.178  -0.535
  131   1H4     C   2          1H4         C   2  -4.155  -9.190  -1.134
  132   2H4     C   2          2H4         C   2  -4.529  -9.319   0.585
  133    H5     C   2           H5         C   2  -5.961  -9.083  -2.836
  134    H6     C   2           H6         C   2  -8.354  -9.217  -3.153
  135   1H5*    A   3          1H5*        A   3 -13.193  -5.919   0.036
  136   2H5*    A   3          2H5*        A   3 -13.252  -4.153   0.169
  137    H4*    A   3           H4*        A   3 -12.728  -5.340   2.337
  138    H3*    A   3           H3*        A   3 -10.696  -3.424   1.173
  139    H2*    A   3           H2*        A   3  -9.394  -3.752   3.139
  140   2HO*    A   3          2HO*        A   3 -11.127  -3.614   4.624
  141    H1*    A   3           H1*        A   3  -9.918  -6.487   3.344
  142    H8     A   3           H8         A   3  -9.061  -5.679  -0.254
  143   1H6     A   3          1H6         A   3  -3.190  -6.700   1.574
  144   2H6     A   3          2H6         A   3  -4.229  -6.425   0.175
  145    H2     A   3           H2         A   3  -5.657  -6.192   5.192
  146   1H5*    G   4          1H5*        G   4 -10.311   0.362   4.822
  147   2H5*    G   4          2H5*        G   4  -9.305  -0.387   3.572
  148    H4*    G   4           H4*        G   4  -9.499  -1.227   6.494
  149    H3*    G   4           H3*        G   4  -7.425   0.093   4.740
  150    H2*    G   4           H2*        G   4  -5.657  -1.109   5.828
  151   2HO*    G   4          2HO*        G   4  -6.890  -0.967   7.932
  152    H1*    G   4           H1*        G   4  -6.852  -3.527   5.668
  153    H8     G   4           H8         G   4  -8.227  -1.947   2.548
  154    H1     G   4           H1         G   4  -2.065  -3.708   2.028
  155   1H2     G   4          1H2         G   4  -1.232  -4.102   4.134
  156   2H2     G   4          2H2         G   4  -2.305  -4.017   5.521
  157   1H5*    G   5          1H5*        G   5  -5.715   0.325   8.699
  158   2H5*    G   5          2H5*        G   5  -5.070   1.955   8.952
  159    H4*    G   5           H4*        G   5  -3.399   0.153   9.346
  160    H3*    G   5           H3*        G   5  -2.818   2.050   7.051
  161    H2*    G   5           H2*        G   5  -0.631   0.995   7.000
  162   2HO*    G   5          2HO*        G   5  -0.677   0.797   9.420
  163    H1*    G   5           H1*        G   5  -1.624  -1.537   7.214
  164    H8     G   5           H8         G   5  -4.025   0.315   4.948
  165    H1     G   5           H1         G   5   1.391  -1.664   2.074
  166   1H2     G   5          1H2         G   5   2.586  -1.879   5.346
  167   2H2     G   5          2H2         G   5   2.959  -2.066   3.633
  168   1H5*    C   6          1H5*        C   6   0.675   2.041   9.662
  169   2H5*    C   6          2H5*        C   6   1.346   3.678   9.730
  170    H4*    C   6           H4*        C   6   3.002   1.992   8.953
  171    H3*    C   6           H3*        C   6   2.172   4.083   6.926
  172    H2*    C   6           H2*        C   6   4.001   3.244   5.595
  173   2HO*    C   6          2HO*        C   6   5.637   2.762   6.880
  174    H1*    C   6           H1*        C   6   3.380   0.610   6.067
  175   1H4     C   6          1H4         C   6  -0.775   2.603   1.307
  176   2H4     C   6          2H4         C   6   0.661   1.973   0.515
  177    H5     C   6           H5         C   6  -0.892   2.893   3.757
  178    H6     C   6           H6         C   6   0.290   2.540   5.828
  179   1H5*    G   7          1H5*        G   7   6.507   4.203   7.884
  180   2H5*    G   7          2H5*        G   7   7.194   5.817   7.629
  181    H4*    G   7           H4*        G   7   8.326   3.955   6.347
  182    H3*    G   7           H3*        G   7   7.037   6.154   4.694
  183    H2*    G   7           H2*        G   7   8.187   5.133   2.845
  184   2HO*    G   7          2HO*        G   7  10.088   4.722   4.358
  185    H1*    G   7           H1*        G   7   7.751   2.522   3.789
  186    H8     G   7           H8         G   7   7.405   2.715   1.162
  187    H1     G   7           H1         G   7   1.659   5.460   2.012
  188   1H2     G   7          1H2         G   7   1.474   6.200   4.148
  189   2H2     G   7          2H2         G   7   2.797   6.030   5.283
  190   1H5*    U   8          1H5*        U   8  11.104   5.929   3.297
  191   2H5*    U   8          2H5*        U   8  11.639   7.539   2.806
  192    H4*    U   8           H4*        U   8  11.662   5.869   0.955
  193    H3*    U   8           H3*        U   8   9.757   8.208   0.635
  194    H2*    U   8           H2*        U   8   9.532   7.410  -1.664
  195   2HO*    U   8          2HO*        U   8  11.860   6.742  -1.669
  196    H1*    U   8           H1*        U   8   9.198   4.829  -0.928
  197    H3     U   8           H3         U   8   5.057   6.244  -2.260
  198    H5     U   8           H5         U   8   5.549   7.935   1.558
  199    H6     U   8           H6         U   8   7.820   7.166   1.573
  200   1H5*    G   9          1H5*        G   9  12.411   8.108  -2.824
  201   2H5*    G   9          2H5*        G   9  12.947   9.759  -3.177
  202    H4*    G   9           H4*        G   9  12.012   8.671  -5.151
  203    H3*    G   9           H3*        G   9  10.423  11.009  -4.086
  204    H2*    G   9           H2*        G   9   9.085  10.799  -6.121
  205   2HO*    G   9          2HO*        G   9  11.158  10.110  -7.278
  206    H1*    G   9           H1*        G   9   8.765   8.164  -5.942
  207    H8     G   9           H8         G   9   8.942   9.131  -2.364
  208    H1     G   9           H1         G   9   3.213  10.292  -5.038
  209   1H2     G   9          1H2         G   9   5.006  10.025  -8.026
  210   2H2     G   9          2H2         G   9   3.463  10.424  -7.261
  211   1H5*    C  10          1H5*        C  10  10.616  11.951  -8.129
  212   2H5*    C  10          2H5*        C  10  11.132  13.638  -8.298
  213    H4*    C  10           H4*        C  10   8.978  13.368  -9.371
  214    H3*    C  10           H3*        C  10   8.775  14.855  -6.724
  215    H2*    C  10           H2*        C  10   6.520  15.318  -7.309
  216   2HO*    C  10          2HO*        C  10   7.196  15.589  -9.637
  217    H1*    C  10           H1*        C  10   6.002  12.762  -8.229
  218   1H4     C  10          1H4         C  10   5.665  12.768  -1.584
  219   2H4     C  10          2H4         C  10   4.065  13.176  -2.198
  220    H5     C  10           H5         C  10   7.611  12.536  -3.101
  221    H6     C  10           H6         C  10   8.283  12.496  -5.418
  222    H3T    C  10           H3T        C  10  10.045  15.891  -8.289
  Start of MODEL   16
    1   1H5*    G   1          1H5*        G   1  -5.319  16.419  -1.916
    2   2H5*    G   1          2H5*        G   1  -6.308  15.221  -2.765
    3    H4*    G   1           H4*        G   1  -5.001  16.382  -4.407
    4    H3*    G   1           H3*        G   1  -3.849  13.628  -3.852
    5    H2*    G   1           H2*        G   1  -2.380  14.034  -5.698
    6   2HO*    G   1          2HO*        G   1  -4.159  15.215  -6.868
    7    H1*    G   1           H1*        G   1  -1.733  16.523  -4.957
    8    H8     G   1           H8         G   1  -2.083  14.588  -1.743
    9    H1     G   1           H1         G   1   3.509  13.676  -4.794
   10   1H2     G   1          1H2         G   1   1.774  15.004  -7.523
   11   2H2     G   1          2H2         G   1   3.265  14.253  -6.952
   12    H5T    G   1           H5T        G   1  -4.927  13.610  -2.079
   13   1H5*    C   2          1H5*        C   2  -4.217  13.666  -8.038
   14   2H5*    C   2          2H5*        C   2  -4.760  12.072  -8.581
   15    H4*    C   2           H4*        C   2  -2.596  12.707  -9.580
   16    H3*    C   2           H3*        C   2  -2.547  10.353  -7.690
   17    H2*    C   2           H2*        C   2  -0.252  10.026  -8.411
   18   2HO*    C   2          2HO*        C   2  -0.818  10.655 -10.653
   19    H1*    C   2           H1*        C   2   0.416  12.676  -8.280
   20   1H4     C   2          1H4         C   2   0.689  10.443  -2.047
   21   2H4     C   2          2H4         C   2   2.256  10.142  -2.796
   22    H5     C   2           H5         C   2  -1.231  11.280  -3.377
   23    H6     C   2           H6         C   2  -1.896  12.061  -5.568
   24   1H5*    A   3          1H5*        A   3  -0.952   9.096 -11.542
   25   2H5*    A   3          2H5*        A   3  -1.389   7.409 -11.867
   26    H4*    A   3           H4*        A   3   1.100   7.855 -11.797
   27    H3*    A   3           H3*        A   3  -0.148   5.902  -9.860
   28    H2*    A   3           H2*        A   3   2.027   5.416  -9.040
   29   2HO*    A   3          2HO*        A   3   3.053   5.276 -11.076
   30    H1*    A   3           H1*        A   3   2.967   8.028  -9.135
   31    H8     A   3           H8         A   3  -0.518   7.983  -7.612
   32   1H6     A   3          1H6         A   3   2.538   7.123  -2.248
   33   2H6     A   3          2H6         A   3   0.959   7.458  -2.959
   34    H2     A   3           H2         A   3   5.356   6.340  -5.543
   35   1H5*    G   4          1H5*        G   4   2.233   1.311 -10.996
   36   2H5*    G   4          2H5*        G   4   1.457   2.118  -9.624
   37    H4*    G   4           H4*        G   4   4.410   2.239 -10.362
   38    H3*    G   4           H3*        G   4   2.767   0.950  -8.183
   39    H2*    G   4           H2*        G   4   4.417   1.474  -6.527
   40   2HO*    G   4          2HO*        G   4   6.168   1.107  -8.183
   41    H1*    G   4           H1*        G   4   4.729   4.058  -7.253
   42    H8     G   4           H8         G   4   1.106   3.628  -8.135
   43    H1     G   4           H1         G   4   2.160   3.895  -1.797
   44   1H2     G   4          1H2         G   4   5.508   3.432  -2.783
   45   2H2     G   4          2H2         G   4   4.413   3.586  -1.418
   46   1H5*    G   5          1H5*        G   5   6.825  -0.494  -7.479
   47   2H5*    G   5          2H5*        G   5   6.750  -2.233  -7.165
   48    H4*    G   5           H4*        G   5   7.938  -0.923  -5.399
   49    H3*    G   5           H3*        G   5   5.444  -2.442  -4.599
   50    H2*    G   5           H2*        G   5   6.047  -1.888  -2.316
   51   2HO*    G   5          2HO*        G   5   8.394  -2.137  -2.888
   52    H1*    G   5           H1*        G   5   6.643   0.710  -2.865
   53    H8     G   5           H8         G   5   3.600  -0.081  -4.969
   54    H1     G   5           H1         G   5   2.331   1.067   1.244
   55   1H2     G   5          1H2         G   5   5.730   0.405   1.657
   56   2H2     G   5          2H2         G   5   4.206   0.794   2.452
   57   1H5*    C   6          1H5*        C   6   8.664  -3.662  -1.869
   58   2H5*    C   6          2H5*        C   6   8.491  -5.396  -1.558
   59    H4*    C   6           H4*        C   6   8.465  -4.046   0.529
   60    H3*    C   6           H3*        C   6   5.914  -5.507  -0.189
   61    H2*    C   6           H2*        C   6   5.134  -4.904   2.001
   62   2HO*    C   6          2HO*        C   6   6.775  -5.092   3.369
   63    H1*    C   6           H1*        C   6   6.062  -2.324   1.856
   64   1H4     C   6          1H4         C   6   0.304  -2.395  -1.427
   65   2H4     C   6          2H4         C   6  -0.050  -1.982   0.244
   66    H5     C   6           H5         C   6   2.563  -3.090  -2.148
   67    H6     C   6           H6         C   6   4.840  -3.399  -1.419
   68   1H5*    G   7          1H5*        G   7   7.639  -6.832   3.724
   69   2H5*    G   7          2H5*        G   7   7.172  -8.505   4.078
   70    H4*    G   7           H4*        G   7   6.563  -6.828   5.863
   71    H3*    G   7           H3*        G   7   4.278  -8.328   4.545
   72    H2*    G   7           H2*        G   7   2.915  -7.364   6.272
   73   2HO*    G   7          2HO*        G   7   4.790  -7.703   7.831
   74    H1*    G   7           H1*        G   7   4.274  -4.911   6.236
   75    H8     G   7           H8         G   7   1.674  -4.543   6.442
   76    H1     G   7           H1         G   7   0.863  -5.830   0.202
   77   1H2     G   7          1H2         G   7   2.708  -6.863  -0.613
   78   2H2     G   7          2H2         G   7   4.065  -7.244   0.425
   79   1H5*    U   8          1H5*        U   8   3.743  -8.966   8.802
   80   2H5*    U   8          2H5*        U   8   3.028 -10.564   9.037
   81    H4*    U   8           H4*        U   8   1.606  -8.693   9.874
   82    H3*    U   8           H3*        U   8   0.481 -10.373   7.616
   83    H2*    U   8           H2*        U   8  -1.607  -9.198   8.059
   84   2HO*    U   8          2HO*        U   8  -1.103  -9.178  10.424
   85    H1*    U   8           H1*        U   8  -0.446  -6.763   8.195
   86    H3     U   8           H3         U   8  -2.727  -6.766   4.240
   87    H5     U   8           H5         U   8   0.643  -9.162   3.475
   88    H6     U   8           H6         U   8   1.229  -9.027   5.795
   89   1H5*    G   9          1H5*        G   9  -2.382 -10.444  10.967
   90   2H5*    G   9          2H5*        G   9  -2.945 -12.112  11.162
   91    H4*    G   9           H4*        G   9  -4.805 -10.544  10.990
   92    H3*    G   9           H3*        G   9  -4.526 -12.502   8.708
   93    H2*    G   9           H2*        G   9  -6.674 -11.652   7.927
   94   2HO*    G   9          2HO*        G   9  -7.313 -11.397  10.295
   95    H1*    G   9           H1*        G   9  -6.071  -9.080   8.206
   96    H8     G   9           H8         G   9  -2.777 -10.573   7.347
   97    H1     G   9           H1         G   9  -6.605  -9.743   2.253
   98   1H2     G   9          1H2         G   9  -9.105  -9.493   4.681
   99   2H2     G   9          2H2         G   9  -8.727  -9.594   2.957
  100   1H5*    C  10          1H5*        C  10  -8.623 -12.885   9.635
  101   2H5*    C  10          2H5*        C  10  -9.013 -14.613   9.687
  102    H4*    C  10           H4*        C  10 -10.367 -13.463   7.994
  103    H3*    C  10           H3*        C  10  -8.283 -15.380   6.904
  104    H2*    C  10           H2*        C  10  -9.205 -15.022   4.753
  105   2HO*    C  10          2HO*        C  10 -11.182 -13.896   4.467
  106    H1*    C  10           H1*        C  10  -9.607 -12.280   5.085
  107   1H4     C  10          1H4         C  10  -3.321 -13.289   3.228
  108   2H4     C  10          2H4         C  10  -4.285 -13.142   1.762
  109    H5     C  10           H5         C  10  -4.373 -13.377   5.468
  110    H6     C  10           H6         C  10  -6.477 -13.168   6.648
  111    H3T    C  10           H3T        C  10 -11.066 -15.677   6.885
  112   1H5*    G   1          1H5*        G   1  -6.533 -12.387  -8.846
  113   2H5*    G   1          2H5*        G   1  -7.095 -10.707  -8.937
  114    H4*    G   1           H4*        G   1  -8.753 -12.099  -7.812
  115    H3*    G   1           H3*        G   1  -7.339 -10.112  -6.012
  116    H2*    G   1           H2*        G   1  -8.904 -10.772  -4.304
  117   2HO*    G   1          2HO*        G   1 -10.639 -10.991  -6.001
  118    H1*    G   1           H1*        G   1  -8.700 -13.403  -4.748
  119    H8     G   1           H8         G   1  -5.227 -11.991  -5.258
  120    H1     G   1           H1         G   1  -6.857 -12.931   0.896
  121   1H2     G   1          1H2         G   1 -10.096 -13.093  -0.408
  122   2H2     G   1          2H2         G   1  -9.094 -13.065   1.044
  123    H5T    G   1           H5T        G   1  -4.954 -10.717  -8.285
  124   1H5*    C   2          1H5*        C   2 -11.493  -9.442  -5.209
  125   2H5*    C   2          2H5*        C   2 -11.749  -7.704  -4.994
  126    H4*    C   2           H4*        C   2 -12.407  -9.003  -2.997
  127    H3*    C   2           H3*        C   2 -10.043  -7.152  -2.634
  128    H2*    C   2           H2*        C   2 -10.237  -7.668  -0.267
  129   2HO*    C   2          2HO*        C   2 -12.639  -7.710  -0.450
  130    H1*    C   2           H1*        C   2 -10.590 -10.356  -0.663
  131   1H4     C   2          1H4         C   2  -4.075  -9.223  -1.191
  132   2H4     C   2          2H4         C   2  -4.435  -9.491   0.514
  133    H5     C   2           H5         C   2  -5.885  -9.040  -2.877
  134    H6     C   2           H6         C   2  -8.274  -9.197  -3.202
  135   1H5*    A   3          1H5*        A   3 -13.063  -6.093   0.305
  136   2H5*    A   3          2H5*        A   3 -13.041  -4.350   0.623
  137    H4*    A   3           H4*        A   3 -12.599  -5.820   2.640
  138    H3*    A   3           H3*        A   3 -10.507  -3.810   1.777
  139    H2*    A   3           H2*        A   3  -9.283  -4.431   3.754
  140   2HO*    A   3          2HO*        A   3 -11.341  -4.579   4.995
  141    H1*    A   3           H1*        A   3  -9.750  -7.141   3.504
  142    H8     A   3           H8         A   3  -8.957  -5.930   0.024
  143   1H6     A   3          1H6         A   3  -3.037  -6.907   1.703
  144   2H6     A   3          2H6         A   3  -4.108  -6.578   0.339
  145    H2     A   3           H2         A   3  -5.468  -6.723   5.379
  146   1H5*    G   4          1H5*        G   4 -11.155  -2.719   5.962
  147   2H5*    G   4          2H5*        G   4 -10.971  -0.958   6.098
  148    H4*    G   4           H4*        G   4  -9.242  -2.219   7.387
  149    H3*    G   4           H3*        G   4  -8.234  -0.583   5.050
  150    H2*    G   4           H2*        G   4  -6.007  -1.178   5.749
  151   2HO*    G   4          2HO*        G   4  -6.043  -1.144   7.937
  152    H1*    G   4           H1*        G   4  -6.589  -3.817   6.104
  153    H8     G   4           H8         G   4  -8.474  -2.413   3.037
  154    H1     G   4           H1         G   4  -2.261  -3.779   2.055
  155   1H2     G   4          1H2         G   4  -1.278  -4.202   4.071
  156   2H2     G   4          2H2         G   4  -2.255  -4.213   5.528
  157   1H5*    G   5          1H5*        G   5  -6.245   0.359   9.069
  158   2H5*    G   5          2H5*        G   5  -5.717   2.049   9.068
  159    H4*    G   5           H4*        G   5  -3.939   0.381   9.716
  160    H3*    G   5           H3*        G   5  -3.439   2.117   7.283
  161    H2*    G   5           H2*        G   5  -1.182   1.207   7.343
  162   2HO*    G   5          2HO*        G   5  -1.260   1.189   9.770
  163    H1*    G   5           H1*        G   5  -2.003  -1.361   7.728
  164    H8     G   5           H8         G   5  -4.467   0.248   5.318
  165    H1     G   5           H1         G   5   1.060  -1.627   2.599
  166   1H2     G   5          1H2         G   5   2.237  -1.607   5.882
  167   2H2     G   5          2H2         G   5   2.634  -1.838   4.180
  168   1H5*    C   6          1H5*        C   6   0.010   2.518   9.923
  169   2H5*    C   6          2H5*        C   6   0.599   4.186   9.868
  170    H4*    C   6           H4*        C   6   2.338   2.514   9.227
  171    H3*    C   6           H3*        C   6   1.439   4.439   7.077
  172    H2*    C   6           H2*        C   6   3.261   3.603   5.761
  173   2HO*    C   6          2HO*        C   6   4.823   3.454   7.361
  174    H1*    C   6           H1*        C   6   2.789   0.970   6.411
  175   1H4     C   6          1H4         C   6  -1.458   2.555   1.566
  176   2H4     C   6          2H4         C   6   0.001   1.961   0.790
  177    H5     C   6           H5         C   6  -1.587   2.943   3.997
  178    H6     C   6           H6         C   6  -0.389   2.739   6.078
  179   1H5*    G   7          1H5*        G   7   6.399   6.627   7.169
  180   2H5*    G   7          2H5*        G   7   5.544   6.991   5.650
  181    H4*    G   7           H4*        G   7   7.407   4.700   6.306
  182    H3*    G   7           H3*        G   7   6.926   6.545   3.945
  183    H2*    G   7           H2*        G   7   7.953   4.918   2.527
  184   2HO*    G   7          2HO*        G   7   9.506   4.458   4.422
  185    H1*    G   7           H1*        G   7   6.771   2.734   3.758
  186    H8     G   7           H8         G   7   6.750   3.210   0.956
  187    H1     G   7           H1         G   7   0.823   5.494   1.926
  188   1H2     G   7          1H2         G   7   0.607   6.164   4.095
  189   2H2     G   7          2H2         G   7   1.978   6.101   5.188
  190   1H5*    U   8          1H5*        U   8  10.727   5.409   2.982
  191   2H5*    U   8          2H5*        U   8  11.665   6.823   2.472
  192    H4*    U   8           H4*        U   8  11.460   5.186   0.657
  193    H3*    U   8           H3*        U   8   9.904   7.752   0.183
  194    H2*    U   8           H2*        U   8   9.644   6.900  -2.093
  195   2HO*    U   8          2HO*        U   8  11.857   5.910  -1.974
  196    H1*    U   8           H1*        U   8   8.925   4.429  -1.265
  197    H3     U   8           H3         U   8   4.976   6.255  -2.662
  198    H5     U   8           H5         U   8   5.672   8.010   1.095
  199    H6     U   8           H6         U   8   7.857   7.041   1.111
  200   1H5*    G   9          1H5*        G   9  12.509   7.208  -3.218
  201   2H5*    G   9          2H5*        G   9  13.246   8.763  -3.637
  202    H4*    G   9           H4*        G   9  12.131   7.753  -5.556
  203    H3*    G   9           H3*        G   9  10.862  10.297  -4.530
  204    H2*    G   9           H2*        G   9   9.457  10.189  -6.528
  205   2HO*    G   9          2HO*        G   9  11.406   9.228  -7.707
  206    H1*    G   9           H1*        G   9   8.836   7.615  -6.266
  207    H8     G   9           H8         G   9   9.218   8.708  -2.728
  208    H1     G   9           H1         G   9   3.545  10.287  -5.301
  209   1H2     G   9          1H2         G   9   5.216   9.762  -8.322
  210   2H2     G   9          2H2         G   9   3.743  10.330  -7.529
  211   1H5*    C  10          1H5*        C  10  11.067  11.110  -8.596
  212   2H5*    C  10          2H5*        C  10  11.755  12.728  -8.823
  213    H4*    C  10           H4*        C  10   9.548  12.668  -9.822
  214    H3*    C  10           H3*        C  10   9.591  14.222  -7.206
  215    H2*    C  10           H2*        C  10   7.375  14.905  -7.729
  216   2HO*    C  10          2HO*        C  10   7.995  15.055 -10.084
  217    H1*    C  10           H1*        C  10   6.566  12.398  -8.570
  218   1H4     C  10          1H4         C  10   6.457  12.547  -1.921
  219   2H4     C  10          2H4         C  10   4.879  13.080  -2.493
  220    H5     C  10           H5         C  10   8.326  12.126  -3.490
  221    H6     C  10           H6         C  10   8.915  11.983  -5.825
  222    H3T    C  10           H3T        C  10  10.905  15.087  -8.838
  Start of MODEL   17
    1   1H5*    G   1          1H5*        G   1  -6.579  15.122  -2.021
    2   2H5*    G   1          2H5*        G   1  -7.329  13.812  -2.945
    3    H4*    G   1           H4*        G   1  -6.184  15.221  -4.504
    4    H3*    G   1           H3*        G   1  -4.625  12.676  -3.972
    5    H2*    G   1           H2*        G   1  -3.132  13.361  -5.700
    6   2HO*    G   1          2HO*        G   1  -5.004  14.286  -6.956
    7    H1*    G   1           H1*        G   1  -2.913  15.893  -4.878
    8    H8     G   1           H8         G   1  -3.177  13.845  -1.724
    9    H1     G   1           H1         G   1   2.675  13.866  -4.402
   10   1H2     G   1          1H2         G   1   0.942  15.013  -7.213
   11   2H2     G   1          2H2         G   1   2.486  14.470  -6.558
   12    H5T    G   1           H5T        G   1  -5.742  12.419  -2.249
   13   1H5*    C   2          1H5*        C   2  -4.749  12.741  -8.168
   14   2H5*    C   2          2H5*        C   2  -5.007  11.089  -8.750
   15    H4*    C   2           H4*        C   2  -2.894  12.046  -9.589
   16    H3*    C   2           H3*        C   2  -2.592   9.735  -7.661
   17    H2*    C   2           H2*        C   2  -0.239   9.782  -8.264
   18   2HO*    C   2          2HO*        C   2  -0.759  10.315 -10.535
   19    H1*    C   2           H1*        C   2  -0.032  12.508  -8.097
   20   1H4     C   2          1H4         C   2   0.221  10.116  -1.902
   21   2H4     C   2          2H4         C   2   1.859  10.092  -2.554
   22    H5     C   2           H5         C   2  -1.720  10.718  -3.325
   23    H6     C   2           H6         C   2  -2.367  11.473  -5.529
   24   1H5*    A   3          1H5*        A   3  -0.583   8.737 -11.409
   25   2H5*    A   3          2H5*        A   3  -0.664   6.993 -11.710
   26    H4*    A   3           H4*        A   3   1.676   7.977 -11.534
   27    H3*    A   3           H3*        A   3   0.800   5.738  -9.704
   28    H2*    A   3           H2*        A   3   3.035   5.708  -8.826
   29   2HO*    A   3          2HO*        A   3   3.911   6.078 -11.039
   30    H1*    A   3           H1*        A   3   3.332   8.448  -8.727
   31    H8     A   3           H8         A   3  -0.151   7.765  -7.445
   32   1H6     A   3          1H6         A   3   2.696   7.083  -1.942
   33   2H6     A   3          2H6         A   3   1.132   7.270  -2.737
   34    H2     A   3           H2         A   3   5.760   6.755  -5.099
   35   1H5*    G   4          1H5*        G   4   4.478   4.088 -11.447
   36   2H5*    G   4          2H5*        G   4   4.226   2.339 -11.623
   37    H4*    G   4           H4*        G   4   6.056   2.904 -10.016
   38    H3*    G   4           H3*        G   4   3.609   1.529  -8.894
   39    H2*    G   4           H2*        G   4   4.709   1.468  -6.772
   40   2HO*    G   4          2HO*        G   4   6.804   0.972  -7.292
   41    H1*    G   4           H1*        G   4   5.634   4.035  -6.885
   42    H8     G   4           H8         G   4   2.039   3.698  -8.296
   43    H1     G   4           H1         G   4   2.500   3.826  -1.875
   44   1H2     G   4          1H2         G   4   5.924   3.587  -2.556
   45   2H2     G   4          2H2         G   4   4.699   3.633  -1.301
   46   1H5*    G   5          1H5*        G   5   7.687  -0.590  -8.027
   47   2H5*    G   5          2H5*        G   5   7.345  -2.322  -7.873
   48    H4*    G   5           H4*        G   5   8.717  -1.358  -5.999
   49    H3*    G   5           H3*        G   5   6.040  -2.602  -5.326
   50    H2*    G   5           H2*        G   5   6.682  -2.327  -3.002
   51   2HO*    G   5          2HO*        G   5   8.985  -2.821  -3.589
   52    H1*    G   5           H1*        G   5   7.600   0.213  -3.314
   53    H8     G   5           H8         G   5   4.487  -0.199  -5.483
   54    H1     G   5           H1         G   5   3.269   0.817   0.756
   55   1H2     G   5          1H2         G   5   6.587  -0.180   1.166
   56   2H2     G   5          2H2         G   5   5.084   0.288   1.960
   57   1H5*    C   6          1H5*        C   6   9.019  -4.443  -2.678
   58   2H5*    C   6          2H5*        C   6   8.595  -6.148  -2.466
   59    H4*    C   6           H4*        C   6   8.711  -4.899  -0.311
   60    H3*    C   6           H3*        C   6   6.014  -5.981  -1.135
   61    H2*    C   6           H2*        C   6   5.239  -5.379   1.046
   62   2HO*    C   6          2HO*        C   6   7.004  -6.016   2.260
   63    H1*    C   6           H1*        C   6   6.508  -2.937   1.060
   64   1H4     C   6          1H4         C   6   0.809  -2.291  -2.296
   65   2H4     C   6          2H4         C   6   0.462  -1.925  -0.612
   66    H5     C   6           H5         C   6   3.003  -3.159  -3.022
   67    H6     C   6           H6         C   6   5.230  -3.716  -2.282
   68   1H5*    G   7          1H5*        G   7   6.236  -9.395   3.072
   69   2H5*    G   7          2H5*        G   7   4.557  -9.118   2.546
   70    H4*    G   7           H4*        G   7   6.178  -7.676   4.656
   71    H3*    G   7           H3*        G   7   3.365  -8.767   4.395
   72    H2*    G   7           H2*        G   7   2.618  -7.202   6.030
   73   2HO*    G   7          2HO*        G   7   4.809  -7.578   7.165
   74    H1*    G   7           H1*        G   7   4.143  -5.085   5.114
   75    H8     G   7           H8         G   7   1.355  -4.964   5.624
   76    H1     G   7           H1         G   7   0.715  -5.652  -0.731
   77   1H2     G   7          1H2         G   7   3.845  -7.228  -0.520
   78   2H2     G   7          2H2         G   7   2.566  -6.670  -1.581
   79   1H5*    U   8          1H5*        U   8   3.432  -8.488   8.492
   80   2H5*    U   8          2H5*        U   8   2.737  -9.965   9.180
   81    H4*    U   8           H4*        U   8   1.409  -7.987   9.769
   82    H3*    U   8           H3*        U   8   0.031  -9.905   7.861
   83    H2*    U   8           H2*        U   8  -1.962  -8.564   8.294
   84   2HO*    U   8          2HO*        U   8  -1.230  -8.228  10.584
   85    H1*    U   8           H1*        U   8  -0.679  -6.214   7.959
   86    H3     U   8           H3         U   8  -3.149  -6.625   4.141
   87    H5     U   8           H5         U   8   0.084  -9.253   3.575
   88    H6     U   8           H6         U   8   0.738  -8.892   5.844
   89   1H5*    G   9          1H5*        G   9  -2.634  -9.345  11.251
   90   2H5*    G   9          2H5*        G   9  -3.278 -10.926  11.720
   91    H4*    G   9           H4*        G   9  -5.061  -9.311  11.335
   92    H3*    G   9           H3*        G   9  -4.935 -11.606   9.378
   93    H2*    G   9           H2*        G   9  -7.052 -10.769   8.501
   94   2HO*    G   9          2HO*        G   9  -7.613 -10.122  10.823
   95    H1*    G   9           H1*        G   9  -6.320  -8.215   8.392
   96    H8     G   9           H8         G   9  -3.133 -10.018   7.705
   97    H1     G   9           H1         G   9  -6.986  -9.564   2.582
   98   1H2     G   9          1H2         G   9  -9.438  -8.914   4.982
   99   2H2     G   9          2H2         G   9  -9.085  -9.229   3.280
  100   1H5*    C  10          1H5*        C  10  -9.012 -11.628  10.338
  101   2H5*    C  10          2H5*        C  10  -9.477 -13.299  10.704
  102    H4*    C  10           H4*        C  10 -10.807 -12.498   8.840
  103    H3*    C  10           H3*        C  10  -8.663 -14.476   7.975
  104    H2*    C  10           H2*        C  10  -9.721 -14.481   5.845
  105   2HO*    C  10          2HO*        C  10 -11.893 -14.340   6.942
  106    H1*    C  10           H1*        C  10 -10.093 -11.738   5.784
  107   1H4     C  10          1H4         C  10  -3.804 -13.092   4.077
  108   2H4     C  10          2H4         C  10  -4.768 -13.081   2.604
  109    H5     C  10           H5         C  10  -4.852 -12.880   6.311
  110    H6     C  10           H6         C  10  -6.940 -12.463   7.454
  111    H3T    C  10           H3T        C  10 -10.188 -15.319   9.424
  112   1H5*    G   1          1H5*        G   1  -6.959 -13.822  -7.913
  113   2H5*    G   1          2H5*        G   1  -7.664 -12.274  -8.406
  114    H4*    G   1           H4*        G   1  -9.256 -13.384  -6.994
  115    H3*    G   1           H3*        G   1  -7.831 -11.166  -5.488
  116    H2*    G   1           H2*        G   1  -9.402 -11.554  -3.727
  117   2HO*    G   1          2HO*        G   1 -11.145 -12.009  -5.366
  118    H1*    G   1           H1*        G   1  -9.188 -14.224  -3.793
  119    H8     G   1           H8         G   1  -5.722 -12.925  -4.500
  120    H1     G   1           H1         G   1  -7.358 -12.882   1.724
  121   1H2     G   1          1H2         G   1 -10.604 -13.175   0.456
  122   2H2     G   1          2H2         G   1  -9.599 -12.948   1.888
  123    H5T    G   1           H5T        G   1  -6.351 -11.223  -6.939
  124   1H5*    C   2          1H5*        C   2 -11.875 -10.298  -4.828
  125   2H5*    C   2          2H5*        C   2 -12.119  -8.546  -4.898
  126    H4*    C   2           H4*        C   2 -12.795  -9.485  -2.720
  127    H3*    C   2           H3*        C   2 -10.399  -7.643  -2.660
  128    H2*    C   2           H2*        C   2 -10.589  -7.767  -0.241
  129   2HO*    C   2          2HO*        C   2 -12.991  -7.787  -0.403
  130    H1*    C   2           H1*        C   2 -11.001 -10.475  -0.186
  131   1H4     C   2          1H4         C   2  -4.465  -9.643  -0.922
  132   2H4     C   2          2H4         C   2  -4.818  -9.607   0.804
  133    H5     C   2           H5         C   2  -6.285  -9.692  -2.606
  134    H6     C   2           H6         C   2  -8.683  -9.837  -2.887
  135   1H5*    A   3          1H5*        A   3 -13.413  -6.093   0.036
  136   2H5*    A   3          2H5*        A   3 -13.400  -4.321   0.043
  137    H4*    A   3           H4*        A   3 -12.948  -5.374   2.295
  138    H3*    A   3           H3*        A   3 -10.826  -3.626   1.033
  139    H2*    A   3           H2*        A   3  -9.568  -3.868   3.042
  140   2HO*    A   3          2HO*        A   3 -11.316  -3.587   4.488
  141    H1*    A   3           H1*        A   3 -10.151  -6.563   3.394
  142    H8     A   3           H8         A   3  -9.314  -5.968  -0.257
  143   1H6     A   3          1H6         A   3  -3.437  -6.946   1.566
  144   2H6     A   3          2H6         A   3  -4.487  -6.735   0.164
  145    H2     A   3           H2         A   3  -5.863  -6.232   5.176
  146   1H5*    G   4          1H5*        G   4 -10.342   0.371   4.498
  147   2H5*    G   4          2H5*        G   4  -9.355  -0.455   3.282
  148    H4*    G   4           H4*        G   4  -9.591  -1.180   6.230
  149    H3*    G   4           H3*        G   4  -7.465  -0.001   4.443
  150    H2*    G   4           H2*        G   4  -5.741  -1.259   5.539
  151   2HO*    G   4          2HO*        G   4  -6.980  -1.034   7.647
  152    H1*    G   4           H1*        G   4  -7.030  -3.626   5.425
  153    H8     G   4           H8         G   4  -8.430  -2.131   2.294
  154    H1     G   4           H1         G   4  -2.260  -3.856   1.732
  155   1H2     G   4          1H2         G   4  -1.405  -4.211   3.843
  156   2H2     G   4          2H2         G   4  -2.465  -4.080   5.239
  157   1H5*    G   5          1H5*        G   5  -5.683   0.148   8.346
  158   2H5*    G   5          2H5*        G   5  -4.972   1.746   8.608
  159    H4*    G   5           H4*        G   5  -3.385  -0.147   8.968
  160    H3*    G   5           H3*        G   5  -2.715   1.795   6.737
  161    H2*    G   5           H2*        G   5  -0.562   0.666   6.685
  162   2HO*    G   5          2HO*        G   5  -0.654   0.402   9.099
  163    H1*    G   5           H1*        G   5  -1.650  -1.835   6.820
  164    H8     G   5           H8         G   5  -3.964   0.101   4.556
  165    H1     G   5           H1         G   5   1.498  -1.827   1.731
  166   1H2     G   5          1H2         G   5   2.615  -2.180   5.016
  167   2H2     G   5          2H2         G   5   3.030  -2.293   3.307
  168   1H5*    C   6          1H5*        C   6   0.726   1.590   9.407
  169   2H5*    C   6          2H5*        C   6   1.434   3.206   9.557
  170    H4*    C   6           H4*        C   6   3.076   1.520   8.763
  171    H3*    C   6           H3*        C   6   2.334   3.692   6.786
  172    H2*    C   6           H2*        C   6   4.192   2.869   5.477
  173   2HO*    C   6          2HO*        C   6   5.711   2.388   6.998
  174    H1*    C   6           H1*        C   6   3.501   0.236   5.826
  175   1H4     C   6          1H4         C   6  -0.546   2.464   1.080
  176   2H4     C   6          2H4         C   6   0.903   1.864   0.288
  177    H5     C   6           H5         C   6  -0.704   2.653   3.539
  178    H6     C   6           H6         C   6   0.441   2.213   5.612
  179   1H5*    G   7          1H5*        G   7   6.647   3.756   7.800
  180   2H5*    G   7          2H5*        G   7   7.323   5.386   7.638
  181    H4*    G   7           H4*        G   7   8.479   3.613   6.260
  182    H3*    G   7           H3*        G   7   7.166   5.883   4.727
  183    H2*    G   7           H2*        G   7   8.346   4.988   2.830
  184   2HO*    G   7          2HO*        G   7  10.242   4.519   4.335
  185    H1*    G   7           H1*        G   7   7.935   2.323   3.621
  186    H8     G   7           H8         G   7   7.615   2.702   1.004
  187    H1     G   7           H1         G   7   1.808   5.266   1.985
  188   1H2     G   7          1H2         G   7   1.594   5.865   4.164
  189   2H2     G   7          2H2         G   7   2.918   5.656   5.292
  190   1H5*    U   8          1H5*        U   8  11.192   5.835   3.293
  191   2H5*    U   8          2H5*        U   8  11.699   7.492   2.943
  192    H4*    U   8           H4*        U   8  11.733   6.016   0.938
  193    H3*    U   8           H3*        U   8   9.722   8.280   0.873
  194    H2*    U   8           H2*        U   8   9.506   7.722  -1.476
  195   2HO*    U   8          2HO*        U   8  10.830   6.373  -2.532
  196    H1*    U   8           H1*        U   8   9.290   5.060  -0.980
  197    H3     U   8           H3         U   8   5.148   6.503  -2.258
  198    H5     U   8           H5         U   8   5.516   7.785   1.731
  199    H6     U   8           H6         U   8   7.810   7.074   1.717
  200   1H5*    G   9          1H5*        G   9  12.429   8.511  -2.465
  201   2H5*    G   9          2H5*        G   9  12.920  10.183  -2.781
  202    H4*    G   9           H4*        G   9  12.092   9.075  -4.800
  203    H3*    G   9           H3*        G   9  10.411  11.367  -3.778
  204    H2*    G   9           H2*        G   9   9.146  11.143  -5.857
  205   2HO*    G   9          2HO*        G   9  11.271  10.510  -6.949
  206    H1*    G   9           H1*        G   9   8.878   8.502  -5.710
  207    H8     G   9           H8         G   9   8.917   9.447  -2.120
  208    H1     G   9           H1         G   9   3.251  10.495  -4.962
  209   1H2     G   9          1H2         G   9   5.141  10.330  -7.894
  210   2H2     G   9          2H2         G   9   3.568  10.680  -7.170
  211   1H5*    C  10          1H5*        C  10  10.702  12.354  -7.798
  212   2H5*    C  10          2H5*        C  10  11.191  14.052  -7.934
  213    H4*    C  10           H4*        C  10   9.071  13.758  -9.068
  214    H3*    C  10           H3*        C  10   8.768  15.202  -6.408
  215    H2*    C  10           H2*        C  10   6.520  15.627  -7.043
  216   2HO*    C  10          2HO*        C  10   7.251  15.947  -9.350
  217    H1*    C  10           H1*        C  10   6.079  13.077  -8.015
  218   1H4     C  10          1H4         C  10   5.563  12.956  -1.385
  219   2H4     C  10          2H4         C  10   3.971  13.337  -2.036
  220    H5     C  10           H5         C  10   7.555  12.801  -2.850
  221    H6     C  10           H6         C  10   8.291  12.816  -5.148
  222    H3T    C  10           H3T        C  10  10.057  16.285  -7.924
  Start of MODEL   18
    1   1H5*    G   1          1H5*        G   1  -5.395  16.643  -2.372
    2   2H5*    G   1          2H5*        G   1  -6.371  15.420  -3.201
    3    H4*    G   1           H4*        G   1  -5.020  16.515  -4.852
    4    H3*    G   1           H3*        G   1  -3.895  13.778  -4.172
    5    H2*    G   1           H2*        G   1  -2.382  14.110  -5.996
    6   2HO*    G   1          2HO*        G   1  -4.127  15.258  -7.249
    7    H1*    G   1           H1*        G   1  -1.739  16.622  -5.330
    8    H8     G   1           H8         G   1  -2.174  14.809  -2.057
    9    H1     G   1           H1         G   1   3.477  13.743  -4.946
   10   1H2     G   1          1H2         G   1   1.812  14.977  -7.761
   11   2H2     G   1          2H2         G   1   3.282  14.235  -7.130
   12    H5T    G   1           H5T        G   1  -5.014  13.829  -2.425
   13   1H5*    C   2          1H5*        C   2  -4.162  13.669  -8.363
   14   2H5*    C   2          2H5*        C   2  -4.703  12.061  -8.862
   15    H4*    C   2           H4*        C   2  -2.513  12.644  -9.833
   16    H3*    C   2           H3*        C   2  -2.521  10.362  -7.856
   17    H2*    C   2           H2*        C   2  -0.214   9.994  -8.518
   18   2HO*    C   2          2HO*        C   2  -0.723  10.544 -10.792
   19    H1*    C   2           H1*        C   2   0.470  12.641  -8.464
   20   1H4     C   2          1H4         C   2   0.575  10.631  -2.151
   21   2H4     C   2          2H4         C   2   2.157  10.294  -2.850
   22    H5     C   2           H5         C   2  -1.305  11.434  -3.556
   23    H6     C   2           H6         C   2  -1.909  12.142  -5.789
   24   1H5*    A   3          1H5*        A   3  -0.862   8.969 -11.631
   25   2H5*    A   3          2H5*        A   3  -1.297   7.275 -11.911
   26    H4*    A   3           H4*        A   3   1.193   7.721 -11.809
   27    H3*    A   3           H3*        A   3  -0.100   5.823  -9.848
   28    H2*    A   3           H2*        A   3   2.051   5.355  -8.962
   29   2HO*    A   3          2HO*        A   3   3.123   5.150 -10.969
   30    H1*    A   3           H1*        A   3   3.009   7.962  -9.122
   31    H8     A   3           H8         A   3  -0.499   7.982  -7.655
   32   1H6     A   3          1H6         A   3   2.470   7.291  -2.217
   33   2H6     A   3          2H6         A   3   0.906   7.614  -2.965
   34    H2     A   3           H2         A   3   5.336   6.387  -5.442
   35   1H5*    G   4          1H5*        G   4   2.279   1.215 -10.777
   36   2H5*    G   4          2H5*        G   4   1.506   2.091  -9.446
   37    H4*    G   4           H4*        G   4   4.465   2.165 -10.173
   38    H3*    G   4           H3*        G   4   2.805   0.923  -7.980
   39    H2*    G   4           H2*        G   4   4.458   1.455  -6.333
   40   2HO*    G   4          2HO*        G   4   6.225   1.016  -7.909
   41    H1*    G   4           H1*        G   4   4.810   4.021  -7.108
   42    H8     G   4           H8         G   4   1.172   3.597  -7.943
   43    H1     G   4           H1         G   4   2.291   4.052  -1.625
   44   1H2     G   4          1H2         G   4   5.625   3.518  -2.636
   45   2H2     G   4          2H2         G   4   4.546   3.726  -1.263
   46   1H5*    G   5          1H5*        G   5   6.921  -0.646  -7.407
   47   2H5*    G   5          2H5*        G   5   6.787  -2.374  -7.047
   48    H4*    G   5           H4*        G   5   8.110  -1.089  -5.363
   49    H3*    G   5           H3*        G   5   5.576  -2.455  -4.423
   50    H2*    G   5           H2*        G   5   6.275  -1.846  -2.183
   51   2HO*    G   5          2HO*        G   5   8.589  -2.223  -2.809
   52    H1*    G   5           H1*        G   5   6.939   0.707  -2.831
   53    H8     G   5           H8         G   5   3.849  -0.075  -4.877
   54    H1     G   5           H1         G   5   2.627   1.159   1.321
   55   1H2     G   5          1H2         G   5   6.015   0.441   1.735
   56   2H2     G   5          2H2         G   5   4.487   0.823   2.528
   57   1H5*    C   6          1H5*        C   6   8.756  -3.783  -1.740
   58   2H5*    C   6          2H5*        C   6   8.497  -5.483  -1.316
   59    H4*    C   6           H4*        C   6   8.534  -3.913   0.663
   60    H3*    C   6           H3*        C   6   6.051  -5.547   0.102
   61    H2*    C   6           H2*        C   6   5.062  -4.648   2.012
   62   2HO*    C   6          2HO*        C   6   7.071  -4.881   3.258
   63    H1*    C   6           H1*        C   6   6.058  -2.085   1.767
   64   1H4     C   6          1H4         C   6   0.385  -2.239  -1.626
   65   2H4     C   6          2H4         C   6   0.003  -1.820   0.040
   66    H5     C   6           H5         C   6   2.667  -2.992  -2.276
   67    H6     C   6           H6         C   6   4.919  -3.311  -1.473
   68   1H5*    G   7          1H5*        G   7   5.632  -9.593   2.515
   69   2H5*    G   7          2H5*        G   7   4.156  -8.668   2.258
   70    H4*    G   7           H4*        G   7   6.448  -8.035   4.157
   71    H3*    G   7           H3*        G   7   3.538  -8.803   4.334
   72    H2*    G   7           H2*        G   7   3.131  -7.379   6.162
   73   2HO*    G   7          2HO*        G   7   5.456  -8.022   6.914
   74    H1*    G   7           H1*        G   7   4.626  -5.260   5.350
   75    H8     G   7           H8         G   7   1.894  -5.030   6.022
   76    H1     G   7           H1         G   7   0.721  -5.441  -0.289
   77   1H2     G   7          1H2         G   7   2.595  -6.322  -1.341
   78   2H2     G   7          2H2         G   7   3.964  -6.820  -0.360
   79   1H5*    U   8          1H5*        U   8   3.820  -8.949   8.233
   80   2H5*    U   8          2H5*        U   8   3.150 -10.483   8.817
   81    H4*    U   8           H4*        U   8   1.800  -8.600   9.592
   82    H3*    U   8           H3*        U   8   0.430 -10.319   7.500
   83    H2*    U   8           H2*        U   8  -1.569  -9.035   8.040
   84   2HO*    U   8          2HO*        U   8  -0.851  -8.934  10.361
   85    H1*    U   8           H1*        U   8  -0.297  -6.654   7.965
   86    H3     U   8           H3         U   8  -2.740  -6.682   4.107
   87    H5     U   8           H5         U   8   0.487  -9.254   3.304
   88    H6     U   8           H6         U   8   1.143  -9.098   5.598
   89   1H5*    G   9          1H5*        G   9  -2.272 -10.137  10.900
   90   2H5*    G   9          2H5*        G   9  -2.839 -11.783  11.228
   91    H4*    G   9           H4*        G   9  -4.702 -10.242  11.004
   92    H3*    G   9           H3*        G   9  -4.467 -12.313   8.818
   93    H2*    G   9           H2*        G   9  -6.625 -11.503   8.027
   94   2HO*    G   9          2HO*        G   9  -7.215 -11.127  10.401
   95    H1*    G   9           H1*        G   9  -6.028  -8.917   8.181
   96    H8     G   9           H8         G   9  -2.740 -10.425   7.326
   97    H1     G   9           H1         G   9  -6.664  -9.760   2.277
   98   1H2     G   9          1H2         G   9  -9.125  -9.508   4.745
   99   2H2     G   9          2H2         G   9  -8.779  -9.629   3.017
  100   1H5*    C  10          1H5*        C  10  -8.544 -12.630   9.757
  101   2H5*    C  10          2H5*        C  10  -8.916 -14.349   9.966
  102    H4*    C  10           H4*        C  10 -10.307 -13.451   8.197
  103    H3*    C  10           H3*        C  10  -8.070 -15.218   7.131
  104    H2*    C  10           H2*        C  10  -9.163 -15.087   5.023
  105   2HO*    C  10          2HO*        C  10 -11.321 -15.174   6.153
  106    H1*    C  10           H1*        C  10  -9.691 -12.375   5.225
  107   1H4     C  10          1H4         C  10  -3.372 -13.213   3.305
  108   2H4     C  10          2H4         C  10  -4.367 -13.130   1.853
  109    H5     C  10           H5         C  10  -4.386 -13.248   5.565
  110    H6     C  10           H6         C  10  -6.471 -13.054   6.773
  111    H3T    C  10           H3T        C  10  -9.520 -16.277   8.513
  112   1H5*    G   1          1H5*        G   1  -6.739 -12.589  -8.643
  113   2H5*    G   1          2H5*        G   1  -7.491 -11.010  -8.921
  114    H4*    G   1           H4*        G   1  -9.033 -12.334  -7.650
  115    H3*    G   1           H3*        G   1  -7.638 -10.302  -5.879
  116    H2*    G   1           H2*        G   1  -9.175 -10.958  -4.168
  117   2HO*    G   1          2HO*        G   1 -10.934 -11.228  -5.824
  118    H1*    G   1           H1*        G   1  -8.899 -13.590  -4.590
  119    H8     G   1           H8         G   1  -5.477 -12.106  -5.162
  120    H1     G   1           H1         G   1  -6.996 -12.975   1.032
  121   1H2     G   1          1H2         G   1 -10.254 -13.205  -0.215
  122   2H2     G   1          2H2         G   1  -9.227 -13.142   1.219
  123    H5T    G   1           H5T        G   1  -6.184 -10.122  -7.348
  124   1H5*    C   2          1H5*        C   2 -11.695  -9.577  -5.089
  125   2H5*    C   2          2H5*        C   2 -11.954  -7.835  -4.907
  126    H4*    C   2           H4*        C   2 -12.591  -9.086  -2.876
  127    H3*    C   2           H3*        C   2 -10.206  -7.249  -2.577
  128    H2*    C   2           H2*        C   2 -10.357  -7.729  -0.205
  129   2HO*    C   2          2HO*        C   2 -12.760  -7.752  -0.330
  130    H1*    C   2           H1*        C   2 -10.739 -10.421  -0.545
  131   1H4     C   2          1H4         C   2  -4.232  -9.274  -1.216
  132   2H4     C   2          2H4         C   2  -4.558  -9.501   0.501
  133    H5     C   2           H5         C   2  -6.072  -9.154  -2.874
  134    H6     C   2           H6         C   2  -8.467  -9.342  -3.152
  135   1H5*    A   3          1H5*        A   3 -13.168  -6.128   0.406
  136   2H5*    A   3          2H5*        A   3 -13.123  -4.382   0.704
  137    H4*    A   3           H4*        A   3 -12.659  -5.840   2.727
  138    H3*    A   3           H3*        A   3 -10.575  -3.845   1.815
  139    H2*    A   3           H2*        A   3  -9.314  -4.458   3.773
  140   2HO*    A   3          2HO*        A   3 -11.363  -4.606   5.043
  141    H1*    A   3           H1*        A   3  -9.778  -7.166   3.542
  142    H8     A   3           H8         A   3  -9.088  -5.972   0.033
  143   1H6     A   3          1H6         A   3  -3.118  -6.868   1.560
  144   2H6     A   3          2H6         A   3  -4.226  -6.555   0.222
  145    H2     A   3           H2         A   3  -5.449  -6.689   5.297
  146   1H5*    G   4          1H5*        G   4 -11.080  -2.800   6.017
  147   2H5*    G   4          2H5*        G   4 -10.901  -1.040   6.167
  148    H4*    G   4           H4*        G   4  -9.134  -2.296   7.397
  149    H3*    G   4           H3*        G   4  -8.185  -0.654   5.039
  150    H2*    G   4           H2*        G   4  -5.939  -1.225   5.718
  151   2HO*    G   4          2HO*        G   4  -5.806  -1.304   7.858
  152    H1*    G   4           H1*        G   4  -6.496  -3.870   6.043
  153    H8     G   4           H8         G   4  -8.482  -2.473   3.051
  154    H1     G   4           H1         G   4  -2.283  -3.703   1.849
  155   1H2     G   4          1H2         G   4  -1.228  -4.176   3.799
  156   2H2     G   4          2H2         G   4  -2.131  -4.200   5.303
  157   1H5*    G   5          1H5*        G   5  -6.210   0.287   9.008
  158   2H5*    G   5          2H5*        G   5  -5.645   1.966   9.043
  159    H4*    G   5           H4*        G   5  -3.913   0.233   9.659
  160    H3*    G   5           H3*        G   5  -3.345   2.020   7.277
  161    H2*    G   5           H2*        G   5  -1.112   1.047   7.337
  162   2HO*    G   5          2HO*        G   5  -1.231   0.948   9.765
  163    H1*    G   5           H1*        G   5  -2.015  -1.504   7.620
  164    H8     G   5           H8         G   5  -4.423   0.248   5.247
  165    H1     G   5           H1         G   5   1.107  -1.620   2.528
  166   1H2     G   5          1H2         G   5   2.212  -1.816   5.836
  167   2H2     G   5          2H2         G   5   2.645  -1.942   4.130
  168   1H5*    C   6          1H5*        C   6   0.068   2.215   9.955
  169   2H5*    C   6          2H5*        C   6   0.676   3.875  10.011
  170    H4*    C   6           H4*        C   6   2.423   2.244   9.341
  171    H3*    C   6           H3*        C   6   1.591   4.269   7.257
  172    H2*    C   6           H2*        C   6   3.462   3.513   5.968
  173   2HO*    C   6          2HO*        C   6   4.944   3.303   7.674
  174    H1*    C   6           H1*        C   6   2.987   0.842   6.469
  175   1H4     C   6          1H4         C   6  -1.220   2.559   1.636
  176   2H4     C   6          2H4         C   6   0.253   2.006   0.856
  177    H5     C   6           H5         C   6  -1.380   2.852   4.075
  178    H6     C   6           H6         C   6  -0.207   2.589   6.158
  179   1H5*    G   7          1H5*        G   7   6.220   6.947   6.722
  180   2H5*    G   7          2H5*        G   7   4.943   6.358   5.638
  181    H4*    G   7           H4*        G   7   7.353   4.696   6.489
  182    H3*    G   7           H3*        G   7   6.830   6.427   4.066
  183    H2*    G   7           H2*        G   7   7.958   4.812   2.694
  184   2HO*    G   7          2HO*        G   7   9.462   4.412   4.645
  185    H1*    G   7           H1*        G   7   6.757   2.626   3.841
  186    H8     G   7           H8         G   7   6.740   3.287   1.072
  187    H1     G   7           H1         G   7   0.847   5.603   2.168
  188   1H2     G   7          1H2         G   7   0.647   6.139   4.397
  189   2H2     G   7          2H2         G   7   2.030   5.964   5.467
  190   1H5*    U   8          1H5*        U   8  10.598   5.469   3.112
  191   2H5*    U   8          2H5*        U   8  11.521   6.915   2.663
  192    H4*    U   8           H4*        U   8  11.349   5.346   0.775
  193    H3*    U   8           H3*        U   8   9.736   7.890   0.410
  194    H2*    U   8           H2*        U   8   9.510   7.155  -1.887
  195   2HO*    U   8          2HO*        U   8  10.607   5.487  -2.744
  196    H1*    U   8           H1*        U   8   8.827   4.631  -1.162
  197    H3     U   8           H3         U   8   4.932   6.522  -2.614
  198    H5     U   8           H5         U   8   5.485   8.067   1.260
  199    H6     U   8           H6         U   8   7.675   7.098   1.302
  200   1H5*    G   9          1H5*        G   9  12.439   7.437  -2.860
  201   2H5*    G   9          2H5*        G   9  13.160   8.986  -3.324
  202    H4*    G   9           H4*        G   9  12.122   7.865  -5.231
  203    H3*    G   9           H3*        G   9  10.794  10.437  -4.366
  204    H2*    G   9           H2*        G   9   9.456  10.223  -6.401
  205   2HO*    G   9          2HO*        G   9  11.441   9.237  -7.481
  206    H1*    G   9           H1*        G   9   8.843   7.663  -6.035
  207    H8     G   9           H8         G   9   9.119   8.945  -2.545
  208    H1     G   9           H1         G   9   3.509  10.344  -5.343
  209   1H2     G   9          1H2         G   9   5.262   9.693  -8.291
  210   2H2     G   9          2H2         G   9   3.768  10.292  -7.561
  211   1H5*    C  10          1H5*        C  10  11.150  11.081  -8.470
  212   2H5*    C  10          2H5*        C  10  11.801  12.710  -8.734
  213    H4*    C  10           H4*        C  10   9.625  12.522  -9.806
  214    H3*    C  10           H3*        C  10   9.603  14.242  -7.304
  215    H2*    C  10           H2*        C  10   7.368  14.842  -7.874
  216   2HO*    C  10          2HO*        C  10   8.080  14.761 -10.272
  217    H1*    C  10           H1*        C  10   6.612  12.280  -8.587
  218   1H4     C  10          1H4         C  10   6.371  12.767  -1.964
  219   2H4     C  10          2H4         C  10   4.799  13.255  -2.592
  220    H5     C  10           H5         C  10   8.279  12.300  -3.475
  221    H6     C  10           H6         C  10   8.913  12.047  -5.788
  222    H3T    C  10           H3T        C  10   9.955  15.864  -8.742
  Start of MODEL   19
    1   1H5*    G   1          1H5*        G   1  -6.813  14.827  -2.548
    2   2H5*    G   1          2H5*        G   1  -7.358  13.325  -3.318
    3    H4*    G   1           H4*        G   1  -6.295  14.774  -4.961
    4    H3*    G   1           H3*        G   1  -4.739  12.272  -4.268
    5    H2*    G   1           H2*        G   1  -3.205  12.886  -6.011
    6   2HO*    G   1          2HO*        G   1  -5.077  13.722  -7.330
    7    H1*    G   1           H1*        G   1  -3.027  15.468  -5.353
    8    H8     G   1           H8         G   1  -3.267  13.589  -2.079
    9    H1     G   1           H1         G   1   2.598  13.629  -4.725
   10   1H2     G   1          1H2         G   1   0.858  14.608  -7.596
   11   2H2     G   1          2H2         G   1   2.411  14.138  -6.906
   12    H5T    G   1           H5T        G   1  -6.342  12.817  -1.393
   13   1H5*    C   2          1H5*        C   2  -4.767  12.229  -8.560
   14   2H5*    C   2          2H5*        C   2  -4.980  10.550  -9.078
   15    H4*    C   2           H4*        C   2  -2.870  11.532  -9.913
   16    H3*    C   2           H3*        C   2  -2.564   9.275  -7.921
   17    H2*    C   2           H2*        C   2  -0.201   9.343  -8.498
   18   2HO*    C   2          2HO*        C   2  -0.708   9.809 -10.787
   19    H1*    C   2           H1*        C   2  -0.047  12.078  -8.403
   20   1H4     C   2          1H4         C   2   0.215   9.931  -2.127
   21   2H4     C   2          2H4         C   2   1.859   9.929  -2.763
   22    H5     C   2           H5         C   2  -1.732  10.402  -3.590
   23    H6     C   2           H6         C   2  -2.385  11.041  -5.827
   24   1H5*    A   3          1H5*        A   3  -0.479   8.190 -11.607
   25   2H5*    A   3          2H5*        A   3  -0.538   6.436 -11.850
   26    H4*    A   3           H4*        A   3   1.789   7.440 -11.672
   27    H3*    A   3           H3*        A   3   0.904   5.276  -9.757
   28    H2*    A   3           H2*        A   3   3.127   5.305  -8.850
   29   2HO*    A   3          2HO*        A   3   4.032   5.584 -11.064
   30    H1*    A   3           H1*        A   3   3.398   8.050  -8.869
   31    H8     A   3           H8         A   3  -0.095   7.360  -7.605
   32   1H6     A   3          1H6         A   3   2.686   6.962  -2.043
   33   2H6     A   3          2H6         A   3   1.128   7.082  -2.864
   34    H2     A   3           H2         A   3   5.800   6.566  -5.139
   35   1H5*    G   4          1H5*        G   4   4.624   3.570 -11.358
   36   2H5*    G   4          2H5*        G   4   4.385   1.812 -11.447
   37    H4*    G   4           H4*        G   4   6.184   2.478  -9.841
   38    H3*    G   4           H3*        G   4   3.732   1.141  -8.682
   39    H2*    G   4           H2*        G   4   4.817   1.196  -6.546
   40   2HO*    G   4          2HO*        G   4   6.922   0.718  -6.984
   41    H1*    G   4           H1*        G   4   5.697   3.767  -6.778
   42    H8     G   4           H8         G   4   2.136   3.320  -8.235
   43    H1     G   4           H1         G   4   2.469   3.733  -1.819
   44   1H2     G   4          1H2         G   4   5.910   3.519  -2.422
   45   2H2     G   4          2H2         G   4   4.660   3.600  -1.194
   46   1H5*    G   5          1H5*        G   5   7.792  -0.887  -7.645
   47   2H5*    G   5          2H5*        G   5   7.476  -2.611  -7.384
   48    H4*    G   5           H4*        G   5   8.797  -1.484  -5.556
   49    H3*    G   5           H3*        G   5   6.151  -2.772  -4.846
   50    H2*    G   5           H2*        G   5   6.746  -2.328  -2.535
   51   2HO*    G   5          2HO*        G   5   9.074  -2.778  -3.058
   52    H1*    G   5           H1*        G   5   7.584   0.215  -2.994
   53    H8     G   5           H8         G   5   4.522  -0.413  -5.178
   54    H1     G   5           H1         G   5   3.179   0.921   0.976
   55   1H2     G   5          1H2         G   5   6.520   0.054   1.488
   56   2H2     G   5          2H2         G   5   4.993   0.525   2.234
   57   1H5*    C   6          1H5*        C   6   9.159  -4.327  -2.055
   58   2H5*    C   6          2H5*        C   6   8.792  -6.023  -1.713
   59    H4*    C   6           H4*        C   6   8.846  -4.588   0.332
   60    H3*    C   6           H3*        C   6   6.210  -5.878  -0.398
   61    H2*    C   6           H2*        C   6   5.431  -5.135   1.762
   62   2HO*    C   6          2HO*        C   6   7.217  -5.486   3.035
   63    H1*    C   6           H1*        C   6   6.520  -2.632   1.518
   64   1H4     C   6          1H4         C   6   0.882  -2.458  -1.955
   65   2H4     C   6          2H4         C   6   0.498  -1.998  -0.302
   66    H5     C   6           H5         C   6   3.123  -3.305  -2.581
   67    H6     C   6           H6         C   6   5.347  -3.738  -1.761
   68   1H5*    G   7          1H5*        G   7   7.609  -7.098   3.647
   69   2H5*    G   7          2H5*        G   7   7.035  -8.728   4.028
   70    H4*    G   7           H4*        G   7   6.409  -6.940   5.702
   71    H3*    G   7           H3*        G   7   4.153  -8.433   4.331
   72    H2*    G   7           H2*        G   7   2.738  -7.383   5.984
   73   2HO*    G   7          2HO*        G   7   4.520  -7.697   7.628
   74    H1*    G   7           H1*        G   7   4.137  -4.959   5.882
   75    H8     G   7           H8         G   7   1.484  -4.651   5.949
   76    H1     G   7           H1         G   7   1.175  -5.831  -0.358
   77   1H2     G   7          1H2         G   7   4.302  -7.346   0.118
   78   2H2     G   7          2H2         G   7   3.056  -6.902  -1.030
   79   1H5*    U   8          1H5*        U   8   3.621  -8.981   8.630
   80   2H5*    U   8          2H5*        U   8   2.872 -10.559   8.909
   81    H4*    U   8           H4*        U   8   1.501  -8.653   9.744
   82    H3*    U   8           H3*        U   8   0.315 -10.310   7.498
   83    H2*    U   8           H2*        U   8  -1.732  -9.082   7.941
   84   2HO*    U   8          2HO*        U   8  -1.243  -9.087  10.305
   85    H1*    U   8           H1*        U   8  -0.499  -6.677   8.100
   86    H3     U   8           H3         U   8  -2.830  -6.540   4.188
   87    H5     U   8           H5         U   8   0.389  -9.113   3.352
   88    H6     U   8           H6         U   8   1.028  -9.013   5.662
   89   1H5*    G   9          1H5*        G   9  -2.502 -10.348  10.915
   90   2H5*    G   9          2H5*        G   9  -3.062 -12.017  11.112
   91    H4*    G   9           H4*        G   9  -4.929 -10.460  11.012
   92    H3*    G   9           H3*        G   9  -4.707 -12.368   8.681
   93    H2*    G   9           H2*        G   9  -6.880 -11.513   7.984
   94   2HO*    G   9          2HO*        G   9  -7.453 -11.305  10.373
   95    H1*    G   9           H1*        G   9  -6.272  -8.944   8.293
   96    H8     G   9           H8         G   9  -2.998 -10.402   7.314
   97    H1     G   9           H1         G   9  -7.022  -9.598   2.364
   98   1H2     G   9          1H2         G   9  -9.420  -9.381   4.896
   99   2H2     G   9          2H2         G   9  -9.122  -9.473   3.157
  100   1H5*    C  10          1H5*        C  10  -8.788 -12.750   9.742
  101   2H5*    C  10          2H5*        C  10  -9.176 -14.479   9.790
  102    H4*    C  10           H4*        C  10 -10.613 -13.303   8.187
  103    H3*    C  10           H3*        C  10  -8.598 -15.216   6.968
  104    H2*    C  10           H2*        C  10  -9.644 -14.842   4.878
  105   2HO*    C  10          2HO*        C  10 -11.634 -13.714   4.716
  106    H1*    C  10           H1*        C  10 -10.027 -12.102   5.256
  107   1H4     C  10          1H4         C  10  -3.870 -13.131   3.003
  108   2H4     C  10          2H4         C  10  -4.925 -13.000   1.599
  109    H5     C  10           H5         C  10  -4.780 -13.186   5.307
  110    H6     C  10           H6         C  10  -6.807 -12.968   6.616
  111    H3T    C  10           H3T        C  10 -11.378 -15.511   7.111
  112   1H5*    G   1          1H5*        G   1  -7.725 -11.658  -8.728
  113   2H5*    G   1          2H5*        G   1  -8.394 -10.023  -8.848
  114    H4*    G   1           H4*        G   1  -9.954 -11.354  -7.607
  115    H3*    G   1           H3*        G   1  -8.361  -9.556  -5.752
  116    H2*    G   1           H2*        G   1  -9.863 -10.259  -4.027
  117   2HO*    G   1          2HO*        G   1 -11.706 -10.290  -5.603
  118    H1*    G   1           H1*        G   1  -9.758 -12.858  -4.663
  119    H8     G   1           H8         G   1  -6.287 -11.504  -5.290
  120    H1     G   1           H1         G   1  -7.551 -12.794   0.887
  121   1H2     G   1          1H2         G   1 -10.870 -12.793  -0.207
  122   2H2     G   1          2H2         G   1  -9.775 -12.871   1.173
  123    H5T    G   1           H5T        G   1  -6.968  -9.335  -7.278
  124   1H5*    C   2          1H5*        C   2 -12.347  -8.627  -4.759
  125   2H5*    C   2          2H5*        C   2 -12.475  -6.897  -4.405
  126    H4*    C   2           H4*        C   2 -13.136  -8.301  -2.483
  127    H3*    C   2           H3*        C   2 -10.619  -6.661  -2.085
  128    H2*    C   2           H2*        C   2 -10.747  -7.368   0.233
  129   2HO*    C   2          2HO*        C   2 -13.162  -7.246   0.155
  130    H1*    C   2           H1*        C   2 -11.287  -9.980  -0.365
  131   1H4     C   2          1H4         C   2  -4.753  -9.025  -1.152
  132   2H4     C   2          2H4         C   2  -5.028  -9.390   0.550
  133    H5     C   2           H5         C   2  -6.637  -8.696  -2.726
  134    H6     C   2           H6         C   2  -9.045  -8.759  -2.935
  135   1H5*    A   3          1H5*        A   3 -13.406  -5.712   1.068
  136   2H5*    A   3          2H5*        A   3 -13.287  -4.027   1.592
  137    H4*    A   3           H4*        A   3 -12.859  -5.850   3.353
  138    H3*    A   3           H3*        A   3 -10.936  -3.600   2.861
  139    H2*    A   3           H2*        A   3  -9.462  -4.463   4.504
  140   2HO*    A   3          2HO*        A   3 -11.088  -4.814   6.058
  141    H1*    A   3           H1*        A   3  -9.862  -7.120   3.948
  142    H8     A   3           H8         A   3  -9.363  -5.785   0.539
  143   1H6     A   3          1H6         A   3  -3.361  -6.896   1.747
  144   2H6     A   3          2H6         A   3  -4.539  -6.591   0.471
  145    H2     A   3           H2         A   3  -5.468  -6.519   5.610
  146   1H5*    G   4          1H5*        G   4 -10.675   0.177   5.371
  147   2H5*    G   4          2H5*        G   4 -10.036   0.106   3.725
  148    H4*    G   4           H4*        G   4  -9.128  -1.494   6.147
  149    H3*    G   4           H3*        G   4  -7.757   0.169   4.009
  150    H2*    G   4           H2*        G   4  -5.758  -0.930   4.638
  151   2HO*    G   4          2HO*        G   4  -5.883  -0.827   6.872
  152    H1*    G   4           H1*        G   4  -7.120  -3.384   5.152
  153    H8     G   4           H8         G   4  -8.277  -2.699   1.812
  154    H1     G   4           H1         G   4  -1.953  -3.882   1.743
  155   1H2     G   4          1H2         G   4  -1.230  -4.075   3.920
  156   2H2     G   4          2H2         G   4  -2.370  -3.846   5.235
  157   1H5*    G   5          1H5*        G   5  -5.899   0.518   8.207
  158   2H5*    G   5          2H5*        G   5  -5.229   2.152   8.363
  159    H4*    G   5           H4*        G   5  -3.653   0.335   9.075
  160    H3*    G   5           H3*        G   5  -2.840   2.101   6.750
  161    H2*    G   5           H2*        G   5  -0.673   1.013   6.899
  162   2HO*    G   5          2HO*        G   5  -0.927   0.907   9.323
  163    H1*    G   5           H1*        G   5  -1.705  -1.492   7.113
  164    H8     G   5           H8         G   5  -3.978   0.304   4.678
  165    H1     G   5           H1         G   5   1.569  -1.716   2.116
  166   1H2     G   5          1H2         G   5   2.621  -1.826   5.444
  167   2H2     G   5          2H2         G   5   3.073  -2.035   3.752
  168   1H5*    C   6          1H5*        C   6   0.481   2.147   9.524
  169   2H5*    C   6          2H5*        C   6   1.139   3.788   9.605
  170    H4*    C   6           H4*        C   6   2.849   2.121   8.938
  171    H3*    C   6           H3*        C   6   2.081   4.148   6.823
  172    H2*    C   6           H2*        C   6   3.985   3.309   5.596
  173   2HO*    C   6          2HO*        C   6   5.516   2.946   7.107
  174    H1*    C   6           H1*        C   6   3.373   0.680   6.088
  175   1H4     C   6          1H4         C   6  -0.655   2.500   1.156
  176   2H4     C   6          2H4         C   6   0.820   1.889   0.422
  177    H5     C   6           H5         C   6  -0.858   2.835   3.593
  178    H6     C   6           H6         C   6   0.262   2.551   5.708
  179   1H5*    G   7          1H5*        G   7   6.365   4.399   7.928
  180   2H5*    G   7          2H5*        G   7   7.008   6.031   7.676
  181    H4*    G   7           H4*        G   7   8.234   4.194   6.445
  182    H3*    G   7           H3*        G   7   6.925   6.340   4.739
  183    H2*    G   7           H2*        G   7   8.163   5.346   2.932
  184   2HO*    G   7          2HO*        G   7  10.030   5.005   4.505
  185    H1*    G   7           H1*        G   7   7.779   2.729   3.881
  186    H8     G   7           H8         G   7   7.518   2.927   1.238
  187    H1     G   7           H1         G   7   1.634   5.415   1.915
  188   1H2     G   7          1H2         G   7   1.355   6.150   4.044
  189   2H2     G   7          2H2         G   7   2.654   6.047   5.213
  190   1H5*    U   8          1H5*        U   8  11.032   6.248   3.467
  191   2H5*    U   8          2H5*        U   8  11.530   7.875   2.989
  192    H4*    U   8           H4*        U   8  11.666   6.208   1.143
  193    H3*    U   8           H3*        U   8   9.685   8.472   0.761
  194    H2*    U   8           H2*        U   8   9.561   7.665  -1.542
  195   2HO*    U   8          2HO*        U   8  11.910   7.086  -1.478
  196    H1*    U   8           H1*        U   8   9.303   5.074  -0.809
  197    H3     U   8           H3         U   8   5.159   6.332  -2.280
  198    H5     U   8           H5         U   8   5.461   8.044   1.549
  199    H6     U   8           H6         U   8   7.758   7.360   1.640
  200   1H5*    G   9          1H5*        G   9  12.456   8.466  -2.613
  201   2H5*    G   9          2H5*        G   9  12.934  10.136  -2.958
  202    H4*    G   9           H4*        G   9  12.111   8.998  -4.954
  203    H3*    G   9           H3*        G   9  10.393  11.276  -3.961
  204    H2*    G   9           H2*        G   9   9.137  10.999  -6.040
  205   2HO*    G   9          2HO*        G   9  11.276  10.389  -7.120
  206    H1*    G   9           H1*        G   9   8.918   8.355  -5.852
  207    H8     G   9           H8         G   9   8.931   9.356  -2.278
  208    H1     G   9           H1         G   9   3.256  10.261  -5.161
  209   1H2     G   9          1H2         G   9   5.160  10.034  -8.081
  210   2H2     G   9          2H2         G   9   3.577  10.377  -7.375
  211   1H5*    C  10          1H5*        C  10  10.694  12.198  -8.004
  212   2H5*    C  10          2H5*        C  10  11.145  13.904  -8.169
  213    H4*    C  10           H4*        C  10   9.045  13.534  -9.318
  214    H3*    C  10           H3*        C  10   8.683  15.033  -6.696
  215    H2*    C  10           H2*        C  10   6.433  15.397  -7.369
  216   2HO*    C  10          2HO*        C  10   7.184  15.676  -9.673
  217    H1*    C  10           H1*        C  10   6.057  12.814  -8.281
  218   1H4     C  10          1H4         C  10   5.475  12.871  -1.652
  219   2H4     C  10          2H4         C  10   3.884  13.207  -2.328
  220    H5     C  10           H5         C  10   7.483  12.702  -3.094
  221    H6     C  10           H6         C  10   8.241  12.667  -5.385
  222    H3T    C  10           H3T        C  10   9.966  16.108  -8.223
  Start of MODEL   20
    1   1H5*    G   1          1H5*        G   1  -6.632  15.140  -2.578
    2   2H5*    G   1          2H5*        G   1  -7.371  13.780  -3.439
    3    H4*    G   1           H4*        G   1  -6.148  15.075  -5.043
    4    H3*    G   1           H3*        G   1  -4.627  12.554  -4.306
    5    H2*    G   1           H2*        G   1  -3.123  13.123  -6.079
    6   2HO*    G   1          2HO*        G   1  -4.975  13.972  -7.403
    7    H1*    G   1           H1*        G   1  -2.912  15.705  -5.398
    8    H8     G   1           H8         G   1  -3.180  13.819  -2.142
    9    H1     G   1           H1         G   1   2.681  13.702  -4.797
   10   1H2     G   1          1H2         G   1   0.961  14.709  -7.668
   11   2H2     G   1          2H2         G   1   2.502  14.200  -6.980
   12    H5T    G   1           H5T        G   1  -5.814  12.420  -2.605
   13   1H5*    C   2          1H5*        C   2  -4.747  12.371  -8.508
   14   2H5*    C   2          2H5*        C   2  -4.990  10.689  -8.999
   15    H4*    C   2           H4*        C   2  -2.899  11.631  -9.908
   16    H3*    C   2           H3*        C   2  -2.576   9.401  -7.894
   17    H2*    C   2           H2*        C   2  -0.223   9.434  -8.478
   18   2HO*    C   2          2HO*        C   2  -0.744   9.864 -10.775
   19    H1*    C   2           H1*        C   2  -0.013  12.162  -8.439
   20   1H4     C   2          1H4         C   2   0.230  10.087  -2.134
   21   2H4     C   2          2H4         C   2   1.868  10.025  -2.782
   22    H5     C   2           H5         C   2  -1.709  10.615  -3.588
   23    H6     C   2           H6         C   2  -2.354  11.256  -5.829
   24   1H5*    A   3          1H5*        A   3  -0.551   8.239 -11.589
   25   2H5*    A   3          2H5*        A   3  -0.647   6.484 -11.811
   26    H4*    A   3           H4*        A   3   1.701   7.444 -11.660
   27    H3*    A   3           H3*        A   3   0.786   5.318  -9.717
   28    H2*    A   3           H2*        A   3   3.014   5.312  -8.823
   29   2HO*    A   3          2HO*        A   3   3.912   5.546 -11.044
   30    H1*    A   3           H1*        A   3   3.340   8.051  -8.875
   31    H8     A   3           H8         A   3  -0.157   7.449  -7.581
   32   1H6     A   3          1H6         A   3   2.650   7.060  -2.031
   33   2H6     A   3          2H6         A   3   1.091   7.205  -2.845
   34    H2     A   3           H2         A   3   5.736   6.561  -5.142
   35   1H5*    G   4          1H5*        G   4   4.440   3.487 -11.332
   36   2H5*    G   4          2H5*        G   4   4.148   1.737 -11.393
   37    H4*    G   4           H4*        G   4   5.975   2.368  -9.808
   38    H3*    G   4           H3*        G   4   3.490   1.134  -8.608
   39    H2*    G   4           H2*        G   4   4.594   1.188  -6.483
   40   2HO*    G   4          2HO*        G   4   6.681   0.635  -6.936
   41    H1*    G   4           H1*        G   4   5.549   3.727  -6.764
   42    H8     G   4           H8         G   4   1.966   3.354  -8.193
   43    H1     G   4           H1         G   4   2.350   3.832  -1.784
   44   1H2     G   4          1H2         G   4   5.782   3.545  -2.405
   45   2H2     G   4          2H2         G   4   4.541   3.669  -1.172
   46   1H5*    G   5          1H5*        G   5   7.497  -1.033  -7.579
   47   2H5*    G   5          2H5*        G   5   7.111  -2.735  -7.270
   48    H4*    G   5           H4*        G   5   8.511  -1.627  -5.494
   49    H3*    G   5           H3*        G   5   5.820  -2.761  -4.693
   50    H2*    G   5           H2*        G   5   6.500  -2.287  -2.411
   51   2HO*    G   5          2HO*        G   5   8.783  -2.866  -2.955
   52    H1*    G   5           H1*        G   5   7.427   0.207  -2.962
   53    H8     G   5           H8         G   5   4.307  -0.366  -5.075
   54    H1     G   5           H1         G   5   3.075   1.019   1.089
   55   1H2     G   5          1H2         G   5   6.411   0.117   1.557
   56   2H2     G   5          2H2         G   5   4.894   0.587   2.323
   57   1H5*    C   6          1H5*        C   6   8.840  -4.427  -1.970
   58   2H5*    C   6          2H5*        C   6   8.409  -6.090  -1.547
   59    H4*    C   6           H4*        C   6   8.611  -4.510   0.424
   60    H3*    C   6           H3*        C   6   5.996  -5.936  -0.099
   61    H2*    C   6           H2*        C   6   5.113  -4.949   1.823
   62   2HO*    C   6          2HO*        C   6   7.115  -5.341   3.039
   63    H1*    C   6           H1*        C   6   6.308  -2.476   1.545
   64   1H4     C   6          1H4         C   6   0.585  -2.247  -1.772
   65   2H4     C   6          2H4         C   6   0.246  -1.806  -0.103
   66    H5     C   6           H5         C   6   2.802  -3.145  -2.448
   67    H6     C   6           H6         C   6   5.035  -3.621  -1.673
   68   1H5*    G   7          1H5*        G   7   5.332  -9.947   2.336
   69   2H5*    G   7          2H5*        G   7   3.922  -8.918   2.109
   70    H4*    G   7           H4*        G   7   6.304  -8.439   3.942
   71    H3*    G   7           H3*        G   7   3.362  -9.030   4.203
   72    H2*    G   7           H2*        G   7   3.073  -7.563   6.018
   73   2HO*    G   7          2HO*        G   7   5.373  -8.335   6.730
   74    H1*    G   7           H1*        G   7   4.676  -5.543   5.162
   75    H8     G   7           H8         G   7   1.959  -5.178   5.880
   76    H1     G   7           H1         G   7   0.716  -5.447  -0.426
   77   1H2     G   7          1H2         G   7   2.520  -6.440  -1.501
   78   2H2     G   7          2H2         G   7   3.862  -7.034  -0.536
   79   1H5*    U   8          1H5*        U   8   3.709  -9.162   8.087
   80   2H5*    U   8          2H5*        U   8   2.973 -10.655   8.696
   81    H4*    U   8           H4*        U   8   1.728  -8.704   9.476
   82    H3*    U   8           H3*        U   8   0.247 -10.363   7.411
   83    H2*    U   8           H2*        U   8  -1.677  -8.978   7.965
   84   2HO*    U   8          2HO*        U   8  -0.931  -8.903  10.278
   85    H1*    U   8           H1*        U   8  -0.290  -6.663   7.866
   86    H3     U   8           H3         U   8  -2.775  -6.581   4.036
   87    H5     U   8           H5         U   8   0.303  -9.322   3.208
   88    H6     U   8           H6         U   8   0.993  -9.191   5.494
   89   1H5*    G   9          1H5*        G   9  -2.400 -10.033  10.852
   90   2H5*    G   9          2H5*        G   9  -3.029 -11.652  11.200
   91    H4*    G   9           H4*        G   9  -4.834 -10.043  10.999
   92    H3*    G   9           H3*        G   9  -4.714 -12.120   8.809
   93    H2*    G   9           H2*        G   9  -6.851 -11.227   8.055
   94   2HO*    G   9          2HO*        G   9  -7.400 -10.834  10.428
   95    H1*    G   9           H1*        G   9  -6.148  -8.668   8.191
   96    H8     G   9           H8         G   9  -2.934 -10.310   7.296
   97    H1     G   9           H1         G   9  -6.903  -9.520   2.300
   98   1H2     G   9          1H2         G   9  -9.313  -9.141   4.802
   99   2H2     G   9          2H2         G   9  -8.998  -9.291   3.070
  100   1H5*    C  10          1H5*        C  10  -8.796 -12.297   9.855
  101   2H5*    C  10          2H5*        C  10  -9.225 -14.008  10.033
  102    H4*    C  10           H4*        C  10 -10.614 -12.987   8.314
  103    H3*    C  10           H3*        C  10  -8.521 -14.897   7.223
  104    H2*    C  10           H2*        C  10  -9.606 -14.681   5.110
  105   2HO*    C  10          2HO*        C  10 -11.768 -14.555   6.356
  106    H1*    C  10           H1*        C  10  -9.974 -11.943   5.323
  107   1H4     C  10          1H4         C  10  -3.742 -13.120   3.315
  108   2H4     C  10          2H4         C  10  -4.753 -12.993   1.878
  109    H5     C  10           H5         C  10  -4.726 -13.100   5.591
  110    H6     C  10           H6         C  10  -6.782 -12.797   6.826
  111    H3T    C  10           H3T        C  10 -10.136 -16.368   7.432
  112   1H5*    G   1          1H5*        G   1  -7.267 -12.424  -8.588
  113   2H5*    G   1          2H5*        G   1  -7.949 -10.814  -8.868
  114    H4*    G   1           H4*        G   1  -9.531 -12.056  -7.562
  115    H3*    G   1           H3*        G   1  -8.016 -10.077  -5.829
  116    H2*    G   1           H2*        G   1  -9.556 -10.648  -4.090
  117   2HO*    G   1          2HO*        G   1 -11.350 -10.848  -5.716
  118    H1*    G   1           H1*        G   1  -9.408 -13.293  -4.495
  119    H8     G   1           H8         G   1  -5.931 -11.973  -5.130
  120    H1     G   1           H1         G   1  -7.390 -12.723   1.093
  121   1H2     G   1          1H2         G   1 -10.674 -12.811  -0.102
  122   2H2     G   1          2H2         G   1  -9.624 -12.783   1.315
  123    H5T    G   1           H5T        G   1  -6.578  -9.975  -7.323
  124   1H5*    C   2          1H5*        C   2 -12.024  -9.152  -4.990
  125   2H5*    C   2          2H5*        C   2 -12.196  -7.399  -4.817
  126    H4*    C   2           H4*        C   2 -12.862  -8.606  -2.769
  127    H3*    C   2           H3*        C   2 -10.390  -6.881  -2.515
  128    H2*    C   2           H2*        C   2 -10.526  -7.342  -0.139
  129   2HO*    C   2          2HO*        C   2 -12.931  -7.254  -0.230
  130    H1*    C   2           H1*        C   2 -11.038 -10.014  -0.457
  131   1H4     C   2          1H4         C   2  -4.496  -9.169  -1.233
  132   2H4     C   2          2H4         C   2  -4.807  -9.371   0.490
  133    H5     C   2           H5         C   2  -6.355  -8.977  -2.864
  134    H6     C   2           H6         C   2  -8.759  -9.056  -3.105
  135   1H5*    A   3          1H5*        A   3 -13.243  -5.609   0.514
  136   2H5*    A   3          2H5*        A   3 -13.109  -3.866   0.802
  137    H4*    A   3           H4*        A   3 -12.678  -5.338   2.824
  138    H3*    A   3           H3*        A   3 -10.520  -3.445   1.867
  139    H2*    A   3           H2*        A   3  -9.255  -4.110   3.804
  140   2HO*    A   3          2HO*        A   3 -11.288  -4.160   5.109
  141    H1*    A   3           H1*        A   3  -9.847  -6.794   3.592
  142    H8     A   3           H8         A   3  -9.167  -5.650   0.065
  143   1H6     A   3          1H6         A   3  -3.214  -6.792   1.494
  144   2H6     A   3          2H6         A   3  -4.331  -6.440   0.173
  145    H2     A   3           H2         A   3  -5.468  -6.492   5.269
  146   1H5*    G   4          1H5*        G   4 -10.883  -2.371   6.074
  147   2H5*    G   4          2H5*        G   4 -10.621  -0.621   6.214
  148    H4*    G   4           H4*        G   4  -8.886  -1.954   7.409
  149    H3*    G   4           H3*        G   4  -7.918  -0.358   5.028
  150    H2*    G   4           H2*        G   4  -5.685  -1.030   5.651
  151   2HO*    G   4          2HO*        G   4  -5.534  -1.086   7.800
  152    H1*    G   4           H1*        G   4  -6.352  -3.648   5.999
  153    H8     G   4           H8         G   4  -8.345  -2.181   3.046
  154    H1     G   4           H1         G   4  -2.221  -3.642   1.721
  155   1H2     G   4          1H2         G   4  -2.017  -4.137   5.172
  156   2H2     G   4          2H2         G   4  -1.147  -4.152   3.648
  157   1H5*    G   5          1H5*        G   5  -5.797   0.489   8.952
  158   2H5*    G   5          2H5*        G   5  -5.169   2.145   8.966
  159    H4*    G   5           H4*        G   5  -3.486   0.355   9.547
  160    H3*    G   5           H3*        G   5  -2.917   2.102   7.135
  161    H2*    G   5           H2*        G   5  -0.718   1.058   7.154
  162   2HO*    G   5          2HO*        G   5  -0.771   0.993   9.580
  163    H1*    G   5           H1*        G   5  -1.700  -1.461   7.492
  164    H8     G   5           H8         G   5  -4.087   0.353   5.145
  165    H1     G   5           H1         G   5   1.332  -1.705   2.340
  166   1H2     G   5          1H2         G   5   2.476  -1.954   5.630
  167   2H2     G   5          2H2         G   5   2.881  -2.092   3.918
  168   1H5*    C   6          1H5*        C   6   0.565   2.239   9.739
  169   2H5*    C   6          2H5*        C   6   1.224   3.881   9.740
  170    H4*    C   6           H4*        C   6   2.900   2.175   9.054
  171    H3*    C   6           H3*        C   6   2.067   4.173   6.937
  172    H2*    C   6           H2*        C   6   3.920   3.307   5.657
  173   2HO*    C   6          2HO*        C   6   5.520   2.953   7.075
  174    H1*    C   6           H1*        C   6   3.323   0.685   6.224
  175   1H4     C   6          1H4         C   6  -0.790   2.515   1.353
  176   2H4     C   6          2H4         C   6   0.677   1.920   0.591
  177    H5     C   6           H5         C   6  -0.959   2.823   3.797
  178    H6     C   6           H6         C   6   0.197   2.534   5.891
  179   1H5*    G   7          1H5*        G   7   6.371   4.411   7.939
  180   2H5*    G   7          2H5*        G   7   7.025   6.037   7.672
  181    H4*    G   7           H4*        G   7   8.217   4.176   6.437
  182    H3*    G   7           H3*        G   7   6.926   6.339   4.740
  183    H2*    G   7           H2*        G   7   8.142   5.328   2.926
  184   2HO*    G   7          2HO*        G   7  10.010   4.955   4.489
  185    H1*    G   7           H1*        G   7   7.714   2.718   3.870
  186    H8     G   7           H8         G   7   7.464   3.005   1.217
  187    H1     G   7           H1         G   7   1.547   5.383   1.996
  188   1H2     G   7          1H2         G   7   1.282   6.090   4.136
  189   2H2     G   7          2H2         G   7   2.601   6.001   5.285
  190   1H5*    U   8          1H5*        U   8  11.017   6.185   3.434
  191   2H5*    U   8          2H5*        U   8  11.537   7.803   2.951
  192    H4*    U   8           H4*        U   8  11.632   6.132   1.106
  193    H3*    U   8           H3*        U   8   9.686   8.428   0.734
  194    H2*    U   8           H2*        U   8   9.534   7.620  -1.566
  195   2HO*    U   8          2HO*        U   8  11.873   7.003  -1.519
  196    H1*    U   8           H1*        U   8   9.238   5.035  -0.828
  197    H3     U   8           H3         U   8   5.109   6.363  -2.278
  198    H5     U   8           H5         U   8   5.460   8.065   1.551
  199    H6     U   8           H6         U   8   7.747   7.347   1.628
  200   1H5*    G   9          1H5*        G   9  12.443   8.361  -2.654
  201   2H5*    G   9          2H5*        G   9  12.944  10.020  -3.014
  202    H4*    G   9           H4*        G   9  12.094   8.874  -4.996
  203    H3*    G   9           H3*        G   9  10.423  11.195  -4.020
  204    H2*    G   9           H2*        G   9   9.155  10.921  -6.093
  205   2HO*    G   9          2HO*        G   9  11.279  10.258  -7.172
  206    H1*    G   9           H1*        G   9   8.886   8.283  -5.877
  207    H8     G   9           H8         G   9   8.930   9.317  -2.313
  208    H1     G   9           H1         G   9   3.264  10.306  -5.183
  209   1H2     G   9          1H2         G   9   5.150  10.013  -8.109
  210   2H2     G   9          2H2         G   9   3.577  10.393  -7.400
  211   1H5*    C  10          1H5*        C  10  10.736  12.070  -8.074
  212   2H5*    C  10          2H5*        C  10  11.220  13.765  -8.257
  213    H4*    C  10           H4*        C  10   9.111  13.424  -9.400
  214    H3*    C  10           H3*        C  10   8.783  14.957  -6.792
  215    H2*    C  10           H2*        C  10   6.539  15.356  -7.463
  216   2HO*    C  10          2HO*        C  10   7.289  15.597  -9.772
  217    H1*    C  10           H1*        C  10   6.111  12.772  -8.347
  218   1H4     C  10          1H4         C  10   5.548  12.907  -1.718
  219   2H4     C  10          2H4         C  10   3.962  13.267  -2.394
  220    H5     C  10           H5         C  10   7.549  12.686  -3.164
  221    H6     C  10           H6         C  10   8.300  12.614  -5.456
  222    H3T    C  10           H3T        C  10  10.082  15.991  -8.334
  Start of MODEL   21
    1   1H5*    G   1          1H5*        G   1  -6.739  14.727  -1.966
    2   2H5*    G   1          2H5*        G   1  -7.322  13.235  -2.727
    3    H4*    G   1           H4*        G   1  -6.327  14.696  -4.400
    4    H3*    G   1           H3*        G   1  -4.752  12.181  -3.799
    5    H2*    G   1           H2*        G   1  -3.291  12.806  -5.599
    6   2HO*    G   1          2HO*        G   1  -5.215  13.661  -6.830
    7    H1*    G   1           H1*        G   1  -3.075  15.381  -4.927
    8    H8     G   1           H8         G   1  -3.182  13.475  -1.662
    9    H1     G   1           H1         G   1   2.565  13.519  -4.557
   10   1H2     G   1          1H2         G   1   0.708  14.527  -7.341
   11   2H2     G   1          2H2         G   1   2.288  14.047  -6.723
   12    H5T    G   1           H5T        G   1  -6.226  12.700  -0.855
   13   1H5*    C   2          1H5*        C   2  -4.968  12.179  -8.088
   14   2H5*    C   2          2H5*        C   2  -5.209  10.505  -8.611
   15    H4*    C   2           H4*        C   2  -3.132  11.493  -9.526
   16    H3*    C   2           H3*        C   2  -2.754   9.208  -7.577
   17    H2*    C   2           H2*        C   2  -0.417   9.275  -8.247
   18   2HO*    C   2          2HO*        C   2  -1.019   9.769 -10.509
   19    H1*    C   2           H1*        C   2  -0.248  12.010  -8.135
   20   1H4     C   2          1H4         C   2   0.293   9.818  -1.895
   21   2H4     C   2          2H4         C   2   1.907   9.813  -2.606
   22    H5     C   2           H5         C   2  -1.717  10.301  -3.264
   23    H6     C   2           H6         C   2  -2.470  10.956  -5.465
   24   1H5*    A   3          1H5*        A   3  -0.818   8.155 -11.358
   25   2H5*    A   3          2H5*        A   3  -0.896   6.403 -11.615
   26    H4*    A   3           H4*        A   3   1.442   7.397 -11.515
   27    H3*    A   3           H3*        A   3   0.618   5.210  -9.600
   28    H2*    A   3           H2*        A   3   2.867   5.224  -8.763
   29   2HO*    A   3          2HO*        A   3   3.702   5.517 -11.000
   30    H1*    A   3           H1*        A   3   3.155   7.967  -8.766
   31    H8     A   3           H8         A   3  -0.293   7.280  -7.379
   32   1H6     A   3          1H6         A   3   2.691   6.834  -1.924
   33   2H6     A   3          2H6         A   3   1.106   6.967  -2.686
   34    H2     A   3           H2         A   3   5.686   6.451  -5.139
   35   1H5*    G   4          1H5*        G   4   4.242   3.432 -11.363
   36   2H5*    G   4          2H5*        G   4   3.960   1.680 -11.433
   37    H4*    G   4           H4*        G   4   5.819   2.321  -9.883
   38    H3*    G   4           H3*        G   4   3.380   1.032  -8.647
   39    H2*    G   4           H2*        G   4   4.517   1.093  -6.537
   40   2HO*    G   4          2HO*        G   4   6.603   0.581  -7.042
   41    H1*    G   4           H1*        G   4   5.419   3.651  -6.813
   42    H8     G   4           H8         G   4   1.817   3.239  -8.188
   43    H1     G   4           H1         G   4   2.312   3.628  -1.784
   44   1H2     G   4          1H2         G   4   5.743   3.403  -2.492
   45   2H2     G   4          2H2         G   4   4.537   3.469  -1.219
   46   1H5*    G   5          1H5*        G   5   7.418  -1.013  -7.612
   47   2H5*    G   5          2H5*        G   5   7.087  -2.731  -7.337
   48    H4*    G   5           H4*        G   5   8.423  -1.594  -5.524
   49    H3*    G   5           H3*        G   5   5.781  -2.880  -4.793
   50    H2*    G   5           H2*        G   5   6.408  -2.449  -2.489
   51   2HO*    G   5          2HO*        G   5   8.722  -2.911  -3.028
   52    H1*    G   5           H1*        G   5   7.257   0.092  -2.952
   53    H8     G   5           H8         G   5   4.162  -0.474  -5.090
   54    H1     G   5           H1         G   5   2.926   0.845   1.093
   55   1H2     G   5          1H2         G   5   6.259  -0.060   1.557
   56   2H2     G   5          2H2         G   5   4.759   0.460   2.322
   57   1H5*    C   6          1H5*        C   6   8.874  -4.469  -2.094
   58   2H5*    C   6          2H5*        C   6   8.518  -6.173  -1.776
   59    H4*    C   6           H4*        C   6   8.640  -4.792   0.300
   60    H3*    C   6           H3*        C   6   5.976  -6.048  -0.387
   61    H2*    C   6           H2*        C   6   5.255  -5.350   1.796
   62   2HO*    C   6          2HO*        C   6   6.854  -5.626   3.183
   63    H1*    C   6           H1*        C   6   6.393  -2.857   1.614
   64   1H4     C   6          1H4         C   6   0.631  -2.499  -1.644
   65   2H4     C   6          2H4         C   6   0.312  -2.047   0.024
   66    H5     C   6           H5         C   6   2.820  -3.380  -2.364
   67    H6     C   6           H6         C   6   5.067  -3.868  -1.642
   68   1H5*    G   7          1H5*        G   7   7.626  -7.434   3.539
   69   2H5*    G   7          2H5*        G   7   7.032  -9.056   3.934
   70    H4*    G   7           H4*        G   7   6.577  -7.301   5.688
   71    H3*    G   7           H3*        G   7   4.167  -8.639   4.420
   72    H2*    G   7           H2*        G   7   2.899  -7.530   6.130
   73   2HO*    G   7          2HO*        G   7   4.755  -7.991   7.685
   74    H1*    G   7           H1*        G   7   4.456  -5.199   6.042
   75    H8     G   7           H8         G   7   1.906  -4.590   6.252
   76    H1     G   7           H1         G   7   0.918  -5.970   0.057
   77   1H2     G   7          1H2         G   7   3.990  -7.646   0.290
   78   2H2     G   7          2H2         G   7   2.656  -7.179  -0.745
   79   1H5*    U   8          1H5*        U   8   3.599  -9.142   8.679
   80   2H5*    U   8          2H5*        U   8   2.772 -10.680   8.950
   81    H4*    U   8           H4*        U   8   1.482  -8.700   9.743
   82    H3*    U   8           H3*        U   8   0.252 -10.339   7.510
   83    H2*    U   8           H2*        U   8  -1.747  -9.011   7.909
   84   2HO*    U   8          2HO*        U   8  -1.265  -8.987  10.280
   85    H1*    U   8           H1*        U   8  -0.421  -6.660   8.022
   86    H3     U   8           H3         U   8  -2.693  -6.578   4.063
   87    H5     U   8           H5         U   8   0.503  -9.215   3.348
   88    H6     U   8           H6         U   8   1.099  -9.073   5.665
   89   1H5*    G   9          1H5*        G   9  -2.616 -10.136  10.872
   90   2H5*    G   9          2H5*        G   9  -3.265 -11.766  11.118
   91    H4*    G   9           H4*        G   9  -5.044 -10.109  10.930
   92    H3*    G   9           H3*        G   9  -4.890 -12.139   8.700
   93    H2*    G   9           H2*        G   9  -6.995 -11.202   7.904
   94   2HO*    G   9          2HO*        G   9  -7.592 -10.844  10.279
   95    H1*    G   9           H1*        G   9  -6.266  -8.654   8.116
   96    H8     G   9           H8         G   9  -3.046 -10.299   7.277
   97    H1     G   9           H1         G   9  -6.863  -9.414   2.183
   98   1H2     G   9          1H2         G   9  -9.342  -9.042   4.618
   99   2H2     G   9          2H2         G   9  -8.975  -9.173   2.894
  100   1H5*    C  10          1H5*        C  10  -8.985 -12.264   9.588
  101   2H5*    C  10          2H5*        C  10  -9.448 -13.965   9.764
  102    H4*    C  10           H4*        C  10 -10.772 -12.964   7.997
  103    H3*    C  10           H3*        C  10  -8.622 -14.832   6.926
  104    H2*    C  10           H2*        C  10  -9.678 -14.609   4.808
  105   2HO*    C  10          2HO*        C  10 -11.852 -14.595   5.911
  106    H1*    C  10           H1*        C  10 -10.060 -11.876   5.046
  107   1H4     C  10          1H4         C  10  -3.771 -13.047   3.198
  108   2H4     C  10          2H4         C  10  -4.741 -12.906   1.734
  109    H5     C  10           H5         C  10  -4.816 -13.036   5.445
  110    H6     C  10           H6         C  10  -6.903 -12.737   6.626
  111    H3T    C  10           H3T        C  10 -10.144 -15.832   8.273
  112   1H5*    G   1          1H5*        G   1  -6.953 -12.180  -8.791
  113   2H5*    G   1          2H5*        G   1  -7.603 -10.555  -9.059
  114    H4*    G   1           H4*        G   1  -9.239 -11.794  -7.818
  115    H3*    G   1           H3*        G   1  -7.740  -9.872  -6.010
  116    H2*    G   1           H2*        G   1  -9.333 -10.449  -4.322
  117   2HO*    G   1          2HO*        G   1 -11.086 -10.592  -6.001
  118    H1*    G   1           H1*        G   1  -9.215 -13.089  -4.771
  119    H8     G   1           H8         G   1  -5.703 -11.814  -5.292
  120    H1     G   1           H1         G   1  -7.343 -12.621   0.878
  121   1H2     G   1          1H2         G   1 -10.594 -12.650  -0.408
  122   2H2     G   1          2H2         G   1  -9.584 -12.653   1.037
  123    H5T    G   1           H5T        G   1  -6.261  -9.766  -7.463
  124   1H5*    C   2          1H5*        C   2 -11.748  -8.905  -5.247
  125   2H5*    C   2          2H5*        C   2 -11.899  -7.152  -5.052
  126    H4*    C   2           H4*        C   2 -12.633  -8.374  -3.038
  127    H3*    C   2           H3*        C   2 -10.139  -6.696  -2.701
  128    H2*    C   2           H2*        C   2 -10.347  -7.184  -0.334
  129   2HO*    C   2          2HO*        C   2 -12.750  -7.053  -0.496
  130    H1*    C   2           H1*        C   2 -10.898  -9.842  -0.700
  131   1H4     C   2          1H4         C   2  -4.323  -9.081  -1.288
  132   2H4     C   2          2H4         C   2  -4.687  -9.295   0.425
  133    H5     C   2           H5         C   2  -6.134  -8.850  -2.968
  134    H6     C   2           H6         C   2  -8.533  -8.894  -3.275
  135   1H5*    A   3          1H5*        A   3 -13.040  -5.411   0.258
  136   2H5*    A   3          2H5*        A   3 -12.895  -3.672   0.565
  137    H4*    A   3           H4*        A   3 -12.530  -5.165   2.584
  138    H3*    A   3           H3*        A   3 -10.328  -3.290   1.693
  139    H2*    A   3           H2*        A   3  -9.121  -3.979   3.657
  140   2HO*    A   3          2HO*        A   3 -11.183  -4.002   4.912
  141    H1*    A   3           H1*        A   3  -9.754  -6.656   3.422
  142    H8     A   3           H8         A   3  -8.940  -5.535  -0.078
  143   1H6     A   3          1H6         A   3  -3.053  -6.777   1.542
  144   2H6     A   3          2H6         A   3  -4.124  -6.415   0.186
  145    H2     A   3           H2         A   3  -5.422  -6.419   5.244
  146   1H5*    G   4          1H5*        G   4 -10.820  -2.160   5.870
  147   2H5*    G   4          2H5*        G   4 -10.547  -0.409   5.996
  148    H4*    G   4           H4*        G   4  -8.851  -1.743   7.251
  149    H3*    G   4           H3*        G   4  -7.825  -0.173   4.876
  150    H2*    G   4           H2*        G   4  -5.612  -0.871   5.514
  151   2HO*    G   4          2HO*        G   4  -5.604  -0.800   7.709
  152    H1*    G   4           H1*        G   4  -6.312  -3.477   5.924
  153    H8     G   4           H8         G   4  -8.204  -2.038   2.883
  154    H1     G   4           H1         G   4  -2.072  -3.667   1.787
  155   1H2     G   4          1H2         G   4  -1.068  -4.110   3.779
  156   2H2     G   4          2H2         G   4  -2.005  -4.052   5.261
  157   1H5*    G   5          1H5*        G   5  -5.704   0.674   8.857
  158   2H5*    G   5          2H5*        G   5  -5.123   2.347   8.844
  159    H4*    G   5           H4*        G   5  -3.389   0.636   9.479
  160    H3*    G   5           H3*        G   5  -2.869   2.329   7.018
  161    H2*    G   5           H2*        G   5  -0.638   1.364   7.068
  162   2HO*    G   5          2HO*        G   5  -0.674   1.386   9.489
  163    H1*    G   5           H1*        G   5  -1.521  -1.176   7.505
  164    H8     G   5           H8         G   5  -3.961   0.468   5.093
  165    H1     G   5           H1         G   5   1.430  -1.740   2.347
  166   1H2     G   5          1H2         G   5   2.664  -1.675   5.608
  167   2H2     G   5          2H2         G   5   3.014  -1.998   3.911
  168   1H5*    C   6          1H5*        C   6   0.570   2.704   9.692
  169   2H5*    C   6          2H5*        C   6   1.192   4.359   9.608
  170    H4*    C   6           H4*        C   6   2.913   2.661   9.034
  171    H3*    C   6           H3*        C   6   2.061   4.499   6.782
  172    H2*    C   6           H2*        C   6   3.964   3.586   5.594
  173   2HO*    C   6          2HO*        C   6   5.504   3.383   7.151
  174    H1*    C   6           H1*        C   6   3.384   1.003   6.290
  175   1H4     C   6          1H4         C   6  -0.806   2.462   1.363
  176   2H4     C   6          2H4         C   6   0.635   1.793   0.616
  177    H5     C   6           H5         C   6  -0.924   2.981   3.763
  178    H6     C   6           H6         C   6   0.261   2.858   5.853
  179   1H5*    G   7          1H5*        G   7   6.374   5.045   7.700
  180   2H5*    G   7          2H5*        G   7   6.916   6.657   7.205
  181    H4*    G   7           H4*        G   7   8.171   4.779   6.138
  182    H3*    G   7           H3*        G   7   6.511   6.312   4.135
  183    H2*    G   7           H2*        G   7   8.010   5.245   2.525
  184   2HO*    G   7          2HO*        G   7   9.801   5.014   4.388
  185    H1*    G   7           H1*        G   7   7.545   2.841   3.813
  186    H8     G   7           H8         G   7   7.153   2.790   1.195
  187    H1     G   7           H1         G   7   1.379   5.521   1.861
  188   1H2     G   7          1H2         G   7   1.180   6.404   3.933
  189   2H2     G   7          2H2         G   7   2.503   6.344   5.077
  190   1H5*    U   8          1H5*        U   8  11.362   5.696   2.980
  191   2H5*    U   8          2H5*        U   8  12.017   7.291   2.576
  192    H4*    U   8           H4*        U   8  11.812   5.796   0.615
  193    H3*    U   8           H3*        U   8   9.940   8.187   0.544
  194    H2*    U   8           H2*        U   8   9.588   7.515  -1.774
  195   2HO*    U   8          2HO*        U   8  11.891   6.853  -1.977
  196    H1*    U   8           H1*        U   8   9.304   4.888  -1.149
  197    H3     U   8           H3         U   8   5.080   6.191  -2.250
  198    H5     U   8           H5         U   8   5.734   7.964   1.507
  199    H6     U   8           H6         U   8   8.025   7.243   1.415
  200   1H5*    G   9          1H5*        G   9  12.518   8.240  -3.025
  201   2H5*    G   9          2H5*        G   9  12.995   9.915  -3.342
  202    H4*    G   9           H4*        G   9  12.037   8.852  -5.320
  203    H3*    G   9           H3*        G   9  10.402  11.114  -4.159
  204    H2*    G   9           H2*        G   9   9.043  10.914  -6.183
  205   2HO*    G   9          2HO*        G   9  11.113  10.318  -7.390
  206    H1*    G   9           H1*        G   9   8.806   8.266  -6.059
  207    H8     G   9           H8         G   9   9.010   9.230  -2.469
  208    H1     G   9           H1         G   9   3.193  10.145  -5.053
  209   1H2     G   9          1H2         G   9   4.952   9.948  -8.066
  210   2H2     G   9          2H2         G   9   3.405  10.284  -7.281
  211   1H5*    C  10          1H5*        C  10  10.526  12.141  -8.202
  212   2H5*    C  10          2H5*        C  10  10.968  13.851  -8.343
  213    H4*    C  10           H4*        C  10   8.822  13.496  -9.415
  214    H3*    C  10           H3*        C  10   8.566  14.946  -6.753
  215    H2*    C  10           H2*        C  10   6.291  15.323  -7.334
  216   2HO*    C  10          2HO*        C  10   6.952  15.641  -9.659
  217    H1*    C  10           H1*        C  10   5.879  12.755  -8.273
  218   1H4     C  10          1H4         C  10   5.563  12.718  -1.624
  219   2H4     C  10          2H4         C  10   3.945  13.062  -2.230
  220    H5     C  10           H5         C  10   7.510  12.568  -3.148
  221    H6     C  10           H6         C  10   8.176  12.569  -5.467
  222    H3T    C  10           H3T        C  10   9.788  16.050  -8.310
  Start of MODEL   22
    1   1H5*    G   1          1H5*        G   1  -6.425  15.206  -1.785
    2   2H5*    G   1          2H5*        G   1  -7.238  13.886  -2.640
    3    H4*    G   1           H4*        G   1  -6.051  15.184  -4.269
    4    H3*    G   1           H3*        G   1  -4.571  12.606  -3.655
    5    H2*    G   1           H2*        G   1  -3.131  13.174  -5.482
    6   2HO*    G   1          2HO*        G   1  -5.014  14.104  -6.702
    7    H1*    G   1           H1*        G   1  -2.817  15.733  -4.755
    8    H8     G   1           H8         G   1  -2.994  13.774  -1.532
    9    H1     G   1           H1         G   1   2.748  13.612  -4.432
   10   1H2     G   1          1H2         G   1   0.928  14.716  -7.205
   11   2H2     G   1          2H2         G   1   2.487  14.160  -6.594
   12    H5T    G   1           H5T        G   1  -5.685  12.466  -1.906
   13   1H5*    C   2          1H5*        C   2  -4.891  12.529  -7.860
   14   2H5*    C   2          2H5*        C   2  -5.199  10.864  -8.373
   15    H4*    C   2           H4*        C   2  -3.134  11.770  -9.364
   16    H3*    C   2           H3*        C   2  -2.755   9.504  -7.400
   17    H2*    C   2           H2*        C   2  -0.437   9.494  -8.123
   18   2HO*    C   2          2HO*        C   2  -1.053   9.966 -10.374
   19    H1*    C   2           H1*        C   2  -0.168  12.214  -8.036
   20   1H4     C   2          1H4         C   2   0.335   9.972  -1.800
   21   2H4     C   2          2H4         C   2   1.944   9.925  -2.520
   22    H5     C   2           H5         C   2  -1.660  10.570  -3.145
   23    H6     C   2           H6         C   2  -2.398  11.285  -5.333
   24   1H5*    A   3          1H5*        A   3  -1.015   8.355 -11.253
   25   2H5*    A   3          2H5*        A   3  -1.149   6.603 -11.491
   26    H4*    A   3           H4*        A   3   1.216   7.547 -11.500
   27    H3*    A   3           H3*        A   3   0.429   5.383  -9.542
   28    H2*    A   3           H2*        A   3   2.716   5.346  -8.814
   29   2HO*    A   3          2HO*        A   3   3.433   5.631 -11.104
   30    H1*    A   3           H1*        A   3   3.062   8.087  -8.849
   31    H8     A   3           H8         A   3  -0.308   7.526  -7.254
   32   1H6     A   3          1H6         A   3   1.449   7.255  -2.570
   33   2H6     A   3          2H6         A   3   3.059   6.958  -2.019
   34    H2     A   3           H2         A   3   5.760   6.417  -5.408
   35   1H5*    G   4          1H5*        G   4   3.986   3.601 -11.367
   36   2H5*    G   4          2H5*        G   4   3.685   1.854 -11.466
   37    H4*    G   4           H4*        G   4   5.589   2.431  -9.955
   38    H3*    G   4           H3*        G   4   3.160   1.163  -8.680
   39    H2*    G   4           H2*        G   4   4.355   1.152  -6.603
   40   2HO*    G   4          2HO*        G   4   6.414   0.603  -7.160
   41    H1*    G   4           H1*        G   4   5.321   3.692  -6.851
   42    H8     G   4           H8         G   4   1.676   3.411  -8.124
   43    H1     G   4           H1         G   4   2.352   3.770  -1.733
   44   1H2     G   4          1H2         G   4   5.746   3.394  -2.504
   45   2H2     G   4          2H2         G   4   4.564   3.528  -1.216
   46   1H5*    G   5          1H5*        G   5   7.190  -1.004  -7.866
   47   2H5*    G   5          2H5*        G   5   6.833  -2.722  -7.621
   48    H4*    G   5           H4*        G   5   8.262  -1.669  -5.829
   49    H3*    G   5           H3*        G   5   5.610  -2.898  -5.044
   50    H2*    G   5           H2*        G   5   6.296  -2.514  -2.749
   51   2HO*    G   5          2HO*        G   5   8.584  -3.032  -3.345
   52    H1*    G   5           H1*        G   5   7.209   0.007  -3.188
   53    H8     G   5           H8         G   5   4.036  -0.490  -5.253
   54    H1     G   5           H1         G   5   3.012   0.923   0.946
   55   1H2     G   5          1H2         G   5   6.329  -0.088   1.326
   56   2H2     G   5          2H2         G   5   4.858   0.460   2.129
   57   1H5*    C   6          1H5*        C   6   8.723  -4.615  -2.437
   58   2H5*    C   6          2H5*        C   6   8.310  -6.301  -2.096
   59    H4*    C   6           H4*        C   6   8.524  -4.889  -0.040
   60    H3*    C   6           H3*        C   6   5.814  -6.087  -0.643
   61    H2*    C   6           H2*        C   6   5.162  -5.326   1.548
   62   2HO*    C   6          2HO*        C   6   6.880  -5.685   2.826
   63    H1*    C   6           H1*        C   6   6.338  -2.864   1.277
   64   1H4     C   6          1H4         C   6   0.546  -2.426  -1.906
   65   2H4     C   6          2H4         C   6   0.265  -1.926  -0.246
   66    H5     C   6           H5         C   6   2.698  -3.391  -2.637
   67    H6     C   6           H6         C   6   4.940  -3.928  -1.933
   68   1H5*    G   7          1H5*        G   7   7.425  -7.413   3.297
   69   2H5*    G   7          2H5*        G   7   6.789  -9.005   3.738
   70    H4*    G   7           H4*        G   7   6.375  -7.140   5.413
   71    H3*    G   7           H3*        G   7   3.964  -8.572   4.257
   72    H2*    G   7           H2*        G   7   2.710  -7.385   5.935
   73   2HO*    G   7          2HO*        G   7   4.594  -7.726   7.477
   74    H1*    G   7           H1*        G   7   4.219  -5.040   5.669
   75    H8     G   7           H8         G   7   1.597  -4.615   5.919
   76    H1     G   7           H1         G   7   0.772  -5.920  -0.316
   77   1H2     G   7          1H2         G   7   2.555  -7.078  -1.099
   78   2H2     G   7          2H2         G   7   3.868  -7.543  -0.037
   79   1H5*    U   8          1H5*        U   8   3.569  -8.858   8.584
   80   2H5*    U   8          2H5*        U   8   2.757 -10.379   8.973
   81    H4*    U   8           H4*        U   8   1.513  -8.354   9.727
   82    H3*    U   8           H3*        U   8   0.154 -10.099   7.653
   83    H2*    U   8           H2*        U   8  -1.824  -8.744   8.129
   84   2HO*    U   8          2HO*        U   8  -1.152  -8.588  10.454
   85    H1*    U   8           H1*        U   8  -0.484  -6.405   7.990
   86    H3     U   8           H3         U   8  -2.908  -6.522   4.123
   87    H5     U   8           H5         U   8   0.288  -9.164   3.426
   88    H6     U   8           H6         U   8   0.925  -8.956   5.720
   89   1H5*    G   9          1H5*        G   9  -2.575  -9.724  11.038
   90   2H5*    G   9          2H5*        G   9  -3.234 -11.329  11.394
   91    H4*    G   9           H4*        G   9  -5.008  -9.691  11.109
   92    H3*    G   9           H3*        G   9  -4.862 -11.826   8.979
   93    H2*    G   9           H2*        G   9  -6.966 -10.920   8.145
   94   2HO*    G   9          2HO*        G   9  -7.569 -10.457  10.492
   95    H1*    G   9           H1*        G   9  -6.226  -8.371   8.232
   96    H8     G   9           H8         G   9  -3.029 -10.128   7.469
   97    H1     G   9           H1         G   9  -6.800  -9.327   2.331
   98   1H2     G   9          1H2         G   9  -9.290  -8.824   4.727
   99   2H2     G   9          2H2         G   9  -8.907  -9.042   3.016
  100   1H5*    C  10          1H5*        C  10  -8.967 -11.925   9.944
  101   2H5*    C  10          2H5*        C  10  -9.428 -13.626  10.146
  102    H4*    C  10           H4*        C  10 -10.759 -12.619   8.372
  103    H3*    C  10           H3*        C  10  -8.669 -14.582   7.372
  104    H2*    C  10           H2*        C  10  -9.697 -14.389   5.227
  105   2HO*    C  10          2HO*        C  10 -11.887 -14.205   6.413
  106    H1*    C  10           H1*        C  10 -10.023 -11.643   5.379
  107   1H4     C  10          1H4         C  10  -3.757 -12.955   3.602
  108   2H4     C  10          2H4         C  10  -4.666 -12.835   2.109
  109    H5     C  10           H5         C  10  -4.805 -12.886   5.814
  110    H6     C  10           H6         C  10  -6.888 -12.533   6.984
  111    H3T    C  10           H3T        C  10 -10.315 -16.022   7.562
  112   1H5*    G   1          1H5*        G   1  -6.691 -13.153  -8.460
  113   2H5*    G   1          2H5*        G   1  -7.409 -11.588  -8.873
  114    H4*    G   1           H4*        G   1  -8.950 -12.748  -7.444
  115    H3*    G   1           H3*        G   1  -7.472 -10.581  -5.915
  116    H2*    G   1           H2*        G   1  -8.986 -11.031  -4.115
  117   2HO*    G   1          2HO*        G   1 -10.787 -11.432  -5.693
  118    H1*    G   1           H1*        G   1  -8.765 -13.695  -4.275
  119    H8     G   1           H8         G   1  -5.332 -12.338  -5.071
  120    H1     G   1           H1         G   1  -6.724 -12.610   1.206
  121   1H2     G   1          1H2         G   1  -8.874 -12.705   1.479
  122   2H2     G   1          2H2         G   1 -10.003 -12.837   0.176
  123    H5T    G   1           H5T        G   1  -6.042 -10.591  -7.417
  124   1H5*    C   2          1H5*        C   2 -11.553  -9.769  -5.160
  125   2H5*    C   2          2H5*        C   2 -11.805  -8.018  -5.138
  126    H4*    C   2           H4*        C   2 -12.468  -9.086  -3.011
  127    H3*    C   2           H3*        C   2 -10.104  -7.211  -2.851
  128    H2*    C   2           H2*        C   2 -10.306  -7.464  -0.438
  129   2HO*    C   2          2HO*        C   2 -12.708  -7.520  -0.625
  130    H1*    C   2           H1*        C   2 -10.674 -10.179  -0.536
  131   1H4     C   2          1H4         C   2  -4.144  -9.219  -1.156
  132   2H4     C   2          2H4         C   2  -4.522  -9.283   0.565
  133    H5     C   2           H5         C   2  -5.949  -9.194  -2.864
  134    H6     C   2           H6         C   2  -8.343  -9.346  -3.177
  135   1H5*    A   3          1H5*        A   3 -13.154  -5.871  -0.093
  136   2H5*    A   3          2H5*        A   3 -13.183  -4.102   0.012
  137    H4*    A   3           H4*        A   3 -12.716  -5.271   2.205
  138    H3*    A   3           H3*        A   3 -10.642  -3.395   1.051
  139    H2*    A   3           H2*        A   3  -9.375  -3.713   3.042
  140   2HO*    A   3          2HO*        A   3 -11.130  -3.545   4.498
  141    H1*    A   3           H1*        A   3  -9.915  -6.440   3.263
  142    H8     A   3           H8         A   3  -9.037  -5.667  -0.339
  143   1H6     A   3          1H6         A   3  -3.177  -6.681   1.522
  144   2H6     A   3          2H6         A   3  -4.209  -6.414   0.117
  145    H2     A   3           H2         A   3  -5.660  -6.146   5.126
  146   1H5*    G   4          1H5*        G   4 -10.291   0.426   4.693
  147   2H5*    G   4          2H5*        G   4  -9.269  -0.328   3.459
  148    H4*    G   4           H4*        G   4  -9.512  -1.165   6.377
  149    H3*    G   4           H3*        G   4  -7.407   0.141   4.651
  150    H2*    G   4           H2*        G   4  -5.658  -1.077   5.749
  151   2HO*    G   4          2HO*        G   4  -6.910  -0.931   7.843
  152    H1*    G   4           H1*        G   4  -6.867  -3.487   5.575
  153    H8     G   4           H8         G   4  -8.214  -1.907   2.446
  154    H1     G   4           H1         G   4  -2.054  -3.687   1.971
  155   1H2     G   4          1H2         G   4  -2.320  -3.987   5.463
  156   2H2     G   4          2H2         G   4  -1.236  -4.077   4.084
  157   1H5*    G   5          1H5*        G   5  -5.729   0.350   8.627
  158   2H5*    G   5          2H5*        G   5  -5.080   1.976   8.891
  159    H4*    G   5           H4*        G   5  -3.418   0.167   9.291
  160    H3*    G   5           H3*        G   5  -2.816   2.070   7.007
  161    H2*    G   5           H2*        G   5  -0.632   1.006   6.962
  162   2HO*    G   5          2HO*        G   5  -0.695   0.798   9.383
  163    H1*    G   5           H1*        G   5  -1.635  -1.522   7.160
  164    H8     G   5           H8         G   5  -4.024   0.341   4.892
  165    H1     G   5           H1         G   5   1.402  -1.633   2.033
  166   1H2     G   5          1H2         G   5   2.586  -1.850   5.309
  167   2H2     G   5          2H2         G   5   2.966  -2.034   3.598
  168   1H5*    C   6          1H5*        C   6   0.671   2.032   9.624
  169   2H5*    C   6          2H5*        C   6   1.343   3.668   9.706
  170    H4*    C   6           H4*        C   6   3.002   1.990   8.921
  171    H3*    C   6           H3*        C   6   2.173   4.091   6.904
  172    H2*    C   6           H2*        C   6   4.006   3.263   5.573
  173   2HO*    C   6          2HO*        C   6   5.639   2.779   6.866
  174    H1*    C   6           H1*        C   6   3.388   0.626   6.028
  175   1H4     C   6          1H4         C   6  -0.766   2.631   1.274
  176   2H4     C   6          2H4         C   6   0.669   2.002   0.481
  177    H5     C   6           H5         C   6  -0.884   2.914   3.725
  178    H6     C   6           H6         C   6   0.297   2.554   5.796
  179   1H5*    G   7          1H5*        G   7   6.505   4.214   7.873
  180   2H5*    G   7          2H5*        G   7   7.188   5.832   7.630
  181    H4*    G   7           H4*        G   7   8.330   3.986   6.336
  182    H3*    G   7           H3*        G   7   7.029   6.187   4.695
  183    H2*    G   7           H2*        G   7   8.186   5.184   2.842
  184   2HO*    G   7          2HO*        G   7  10.090   4.777   4.350
  185    H1*    G   7           H1*        G   7   7.767   2.565   3.770
  186    H8     G   7           H8         G   7   7.416   2.758   1.146
  187    H1     G   7           H1         G   7   1.665   5.488   2.000
  188   1H2     G   7          1H2         G   7   1.475   6.219   4.139
  189   2H2     G   7          2H2         G   7   2.799   6.050   5.274
  190   1H5*    U   8          1H5*        U   8  11.113   5.993   3.319
  191   2H5*    U   8          2H5*        U   8  11.638   7.607   2.828
  192    H4*    U   8           H4*        U   8  11.683   5.929   0.983
  193    H3*    U   8           H3*        U   8   9.775   8.261   0.640
  194    H2*    U   8           H2*        U   8   9.568   7.451  -1.658
  195   2HO*    U   8          2HO*        U   8  11.898   6.792  -1.643
  196    H1*    U   8           H1*        U   8   9.236   4.874  -0.915
  197    H3     U   8           H3         U   8   5.112   6.260  -2.287
  198    H5     U   8           H5         U   8   5.558   7.973   1.536
  199    H6     U   8           H6         U   8   7.832   7.219   1.567
  200   1H5*    G   9          1H5*        G   9  12.451   8.166  -2.805
  201   2H5*    G   9          2H5*        G   9  12.972   9.820  -3.168
  202    H4*    G   9           H4*        G   9  12.040   8.714  -5.134
  203    H3*    G   9           H3*        G   9  10.425  11.039  -4.077
  204    H2*    G   9           H2*        G   9   9.084  10.798  -6.106
  205   2HO*    G   9          2HO*        G   9  11.152  10.136  -7.275
  206    H1*    G   9           H1*        G   9   8.791   8.164  -5.905
  207    H8     G   9           H8         G   9   8.986   9.181  -2.337
  208    H1     G   9           H1         G   9   3.224  10.254  -4.968
  209   1H2     G   9          1H2         G   9   4.973   9.936  -7.972
  210   2H2     G   9          2H2         G   9   3.442  10.348  -7.192
  211   1H5*    C  10          1H5*        C  10  10.656  11.971  -8.145
  212   2H5*    C  10          2H5*        C  10  11.082  13.684  -8.320
  213    H4*    C  10           H4*        C  10   8.932  13.215  -9.399
  214    H3*    C  10           H3*        C  10   8.769  14.912  -6.889
  215    H2*    C  10           H2*        C  10   6.464  15.206  -7.334
  216   2HO*    C  10          2HO*        C  10   5.534  14.547  -9.326
  217    H1*    C  10           H1*        C  10   6.001  12.581  -8.144
  218   1H4     C  10          1H4         C  10   5.741  12.796  -1.526
  219   2H4     C  10          2H4         C  10   4.127  13.161  -2.127
  220    H5     C  10           H5         C  10   7.676  12.578  -3.057
  221    H6     C  10           H6         C  10   8.323  12.499  -5.385
  222    H3T    C  10           H3T        C  10   8.298  15.704  -9.532
  Start of MODEL   23
    1   1H5*    G   1          1H5*        G   1  -6.122  15.466  -1.512
    2   2H5*    G   1          2H5*        G   1  -6.990  14.214  -2.415
    3    H4*    G   1           H4*        G   1  -5.770  15.542  -3.997
    4    H3*    G   1           H3*        G   1  -4.392  12.881  -3.517
    5    H2*    G   1           H2*        G   1  -2.938  13.475  -5.322
    6   2HO*    G   1          2HO*        G   1  -4.799  14.538  -6.480
    7    H1*    G   1           H1*        G   1  -2.521  15.985  -4.492
    8    H8     G   1           H8         G   1  -2.734  13.927  -1.346
    9    H1     G   1           H1         G   1   2.936  13.561  -4.366
   10   1H2     G   1          1H2         G   1   1.117  14.827  -7.070
   11   2H2     G   1          2H2         G   1   2.656  14.167  -6.511
   12    H5T    G   1           H5T        G   1  -5.482  12.709  -1.758
   13   1H5*    C   2          1H5*        C   2  -4.706  13.033  -7.707
   14   2H5*    C   2          2H5*        C   2  -5.102  11.418  -8.312
   15    H4*    C   2           H4*        C   2  -2.986  12.273  -9.252
   16    H3*    C   2           H3*        C   2  -2.767   9.860  -7.450
   17    H2*    C   2           H2*        C   2  -0.439   9.756  -8.135
   18   2HO*    C   2          2HO*        C   2  -1.049  10.440 -10.365
   19    H1*    C   2           H1*        C   2  -0.001  12.446  -7.898
   20   1H4     C   2          1H4         C   2   0.366  10.029  -1.741
   21   2H4     C   2          2H4         C   2   1.961   9.880  -2.477
   22    H5     C   2           H5         C   2  -1.600  10.750  -3.076
   23    H6     C   2           H6         C   2  -2.294  11.548  -5.253
   24   1H5*    A   3          1H5*        A   3  -0.990   8.907 -11.287
   25   2H5*    A   3          2H5*        A   3  -1.284   7.211 -11.707
   26    H4*    A   3           H4*        A   3   1.162   7.856 -11.535
   27    H3*    A   3           H3*        A   3   0.003   5.687  -9.785
   28    H2*    A   3           H2*        A   3   2.156   5.321  -8.870
   29   2HO*    A   3          2HO*        A   3   3.275   5.349 -10.868
   30    H1*    A   3           H1*        A   3   2.935   8.002  -8.835
   31    H8     A   3           H8         A   3  -0.547   7.687  -7.364
   32   1H6     A   3          1H6         A   3   2.515   6.877  -1.995
   33   2H6     A   3          2H6         A   3   0.925   7.139  -2.711
   34    H2     A   3           H2         A   3   5.395   6.323  -5.284
   35   1H5*    G   4          1H5*        G   4   2.568   1.349 -10.953
   36   2H5*    G   4          2H5*        G   4   1.750   2.141  -9.596
   37    H4*    G   4           H4*        G   4   4.723   2.316 -10.249
   38    H3*    G   4           H3*        G   4   3.049   0.890  -8.179
   39    H2*    G   4           H2*        G   4   4.683   1.320  -6.481
   40   2HO*    G   4          2HO*        G   4   6.459   1.036  -8.104
   41    H1*    G   4           H1*        G   4   5.001   3.943  -7.070
   42    H8     G   4           H8         G   4   1.369   3.451  -7.946
   43    H1     G   4           H1         G   4   2.480   3.667  -1.617
   44   1H2     G   4          1H2         G   4   5.827   3.312  -2.628
   45   2H2     G   4          2H2         G   4   4.735   3.410  -1.257
   46   1H5*    G   5          1H5*        G   5   7.137  -0.640  -7.609
   47   2H5*    G   5          2H5*        G   5   7.032  -2.395  -7.402
   48    H4*    G   5           H4*        G   5   8.267  -1.248  -5.568
   49    H3*    G   5           H3*        G   5   5.712  -2.701  -4.837
   50    H2*    G   5           H2*        G   5   6.331  -2.282  -2.533
   51   2HO*    G   5          2HO*        G   5   8.658  -2.619  -3.083
   52    H1*    G   5           H1*        G   5   7.048   0.307  -2.946
   53    H8     G   5           H8         G   5   3.960  -0.336  -5.070
   54    H1     G   5           H1         G   5   2.771   0.881   1.143
   55   1H2     G   5          1H2         G   5   6.137   0.053   1.550
   56   2H2     G   5          2H2         G   5   4.635   0.524   2.343
   57   1H5*    C   6          1H5*        C   6   8.947  -4.226  -2.245
   58   2H5*    C   6          2H5*        C   6   8.660  -5.946  -1.935
   59    H4*    C   6           H4*        C   6   8.781  -4.569   0.145
   60    H3*    C   6           H3*        C   6   6.142  -5.922  -0.462
   61    H2*    C   6           H2*        C   6   5.488  -5.251   1.770
   62   2HO*    C   6          2HO*        C   6   7.482  -5.608   2.808
   63    H1*    C   6           H1*        C   6   6.467  -2.710   1.509
   64   1H4     C   6          1H4         C   6   0.681  -2.553  -1.694
   65   2H4     C   6          2H4         C   6   0.369  -2.081  -0.032
   66    H5     C   6           H5         C   6   2.881  -3.403  -2.423
   67    H6     C   6           H6         C   6   5.143  -3.830  -1.715
   68   1H5*    G   7          1H5*        G   7   7.696  -7.275   3.478
   69   2H5*    G   7          2H5*        G   7   7.085  -8.895   3.851
   70    H4*    G   7           H4*        G   7   6.517  -7.084   5.530
   71    H3*    G   7           H3*        G   7   4.199  -8.524   4.203
   72    H2*    G   7           H2*        G   7   2.845  -7.403   5.858
   73   2HO*    G   7          2HO*        G   7   4.651  -7.737   7.481
   74    H1*    G   7           H1*        G   7   4.301  -5.022   5.692
   75    H8     G   7           H8         G   7   1.675  -4.648   5.789
   76    H1     G   7           H1         G   7   1.140  -6.139  -0.436
   77   1H2     G   7          1H2         G   7   3.021  -7.191  -1.137
   78   2H2     G   7          2H2         G   7   4.325  -7.550  -0.026
   79   1H5*    U   8          1H5*        U   8   3.651  -8.909   8.521
   80   2H5*    U   8          2H5*        U   8   2.811 -10.425   8.862
   81    H4*    U   8           H4*        U   8   1.597  -8.365   9.617
   82    H3*    U   8           H3*        U   8   0.227 -10.119   7.560
   83    H2*    U   8           H2*        U   8  -1.738  -8.743   8.023
   84   2HO*    U   8          2HO*        U   8  -1.068  -8.566  10.347
   85    H1*    U   8           H1*        U   8  -0.382  -6.415   7.860
   86    H3     U   8           H3         U   8  -2.871  -6.616   4.029
   87    H5     U   8           H5         U   8   0.341  -9.236   3.326
   88    H6     U   8           H6         U   8   1.016  -8.977   5.609
   89   1H5*    G   9          1H5*        G   9  -2.464  -9.662  10.960
   90   2H5*    G   9          2H5*        G   9  -3.171 -11.239  11.341
   91    H4*    G   9           H4*        G   9  -4.881  -9.520  11.042
   92    H3*    G   9           H3*        G   9  -4.856 -11.743   9.001
   93    H2*    G   9           H2*        G   9  -6.931 -10.786   8.150
   94   2HO*    G   9          2HO*        G   9  -7.468 -10.199  10.495
   95    H1*    G   9           H1*        G   9  -6.095  -8.263   8.134
   96    H8     G   9           H8         G   9  -2.963 -10.119   7.388
   97    H1     G   9           H1         G   9  -6.799  -9.450   2.279
   98   1H2     G   9          1H2         G   9  -9.239  -8.795   4.691
   99   2H2     G   9          2H2         G   9  -8.890  -9.081   2.983
  100   1H5*    C  10          1H5*        C  10  -8.920 -11.649   9.946
  101   2H5*    C  10          2H5*        C  10  -9.447 -13.311  10.268
  102    H4*    C  10           H4*        C  10 -10.735 -12.421   8.416
  103    H3*    C  10           H3*        C  10  -8.648 -14.444   7.515
  104    H2*    C  10           H2*        C  10  -9.678 -14.356   5.376
  105   2HO*    C  10          2HO*        C  10 -11.859 -14.177   6.454
  106    H1*    C  10           H1*        C  10  -9.966 -11.603   5.385
  107   1H4     C  10          1H4         C  10  -3.702 -13.094   3.707
  108   2H4     C  10          2H4         C  10  -4.652 -13.025   2.225
  109    H5     C  10           H5         C  10  -4.768 -12.907   5.936
  110    H6     C  10           H6         C  10  -6.855 -12.459   7.068
  111    H3T    C  10           H3T        C  10 -10.216 -15.274   8.925
  112   1H5*    G   1          1H5*        G   1  -6.808 -13.507  -8.325
  113   2H5*    G   1          2H5*        G   1  -7.484 -11.935  -8.781
  114    H4*    G   1           H4*        G   1  -9.098 -13.054  -7.401
  115    H3*    G   1           H3*        G   1  -7.643 -10.894  -5.842
  116    H2*    G   1           H2*        G   1  -9.223 -11.297  -4.092
  117   2HO*    G   1          2HO*        G   1 -10.969 -11.688  -5.749
  118    H1*    G   1           H1*        G   1  -9.053 -13.968  -4.221
  119    H8     G   1           H8         G   1  -5.563 -12.717  -4.884
  120    H1     G   1           H1         G   1  -7.235 -12.756   1.330
  121   1H2     G   1          1H2         G   1 -10.478 -12.963   0.036
  122   2H2     G   1          2H2         G   1  -9.479 -12.777   1.478
  123    H5T    G   1           H5T        G   1  -6.158 -10.943  -7.287
  124   1H5*    C   2          1H5*        C   2 -11.670  -9.987  -5.150
  125   2H5*    C   2          2H5*        C   2 -11.890  -8.231  -5.195
  126    H4*    C   2           H4*        C   2 -12.579  -9.184  -3.031
  127    H3*    C   2           H3*        C   2 -10.148  -7.393  -2.943
  128    H2*    C   2           H2*        C   2 -10.350  -7.541  -0.523
  129   2HO*    C   2          2HO*        C   2 -12.751  -7.511  -0.698
  130    H1*    C   2           H1*        C   2 -10.815 -10.241  -0.508
  131   1H4     C   2          1H4         C   2  -4.262  -9.530  -1.226
  132   2H4     C   2          2H4         C   2  -4.618  -9.515   0.501
  133    H5     C   2           H5         C   2  -6.080  -9.520  -2.912
  134    H6     C   2           H6         C   2  -8.481  -9.614  -3.197
  135   1H5*    A   3          1H5*        A   3 -13.136  -5.808  -0.259
  136   2H5*    A   3          2H5*        A   3 -13.100  -4.035  -0.248
  137    H4*    A   3           H4*        A   3 -12.665  -5.086   2.004
  138    H3*    A   3           H3*        A   3 -10.498  -3.399   0.733
  139    H2*    A   3           H2*        A   3  -9.256  -3.657   2.750
  140   2HO*    A   3          2HO*        A   3 -11.006  -3.310   4.182
  141    H1*    A   3           H1*        A   3  -9.934  -6.336   3.125
  142    H8     A   3           H8         A   3  -9.013  -5.787  -0.512
  143   1H6     A   3          1H6         A   3  -3.193  -6.920   1.406
  144   2H6     A   3          2H6         A   3  -4.217  -6.688  -0.011
  145    H2     A   3           H2         A   3  -5.663  -6.164   4.979
  146   1H5*    G   4          1H5*        G   4  -9.835   0.674   3.953
  147   2H5*    G   4          2H5*        G   4  -8.911  -0.309   2.802
  148    H4*    G   4           H4*        G   4  -9.149  -0.768   5.806
  149    H3*    G   4           H3*        G   4  -6.932  -0.108   3.861
  150    H2*    G   4           H2*        G   4  -5.344  -1.203   5.312
  151   2HO*    G   4          2HO*        G   4  -7.090  -0.887   7.276
  152    H1*    G   4           H1*        G   4  -6.795  -3.455   5.240
  153    H8     G   4           H8         G   4  -7.953  -2.108   1.964
  154    H1     G   4           H1         G   4  -1.784  -3.916   1.807
  155   1H2     G   4          1H2         G   4  -2.169  -3.980   5.305
  156   2H2     G   4          2H2         G   4  -1.042  -4.171   3.970
  157   1H5*    G   5          1H5*        G   5  -5.634  -0.003   8.899
  158   2H5*    G   5          2H5*        G   5  -5.180   1.676   9.245
  159    H4*    G   5           H4*        G   5  -3.301   0.086   9.486
  160    H3*    G   5           H3*        G   5  -2.956   2.041   7.186
  161    H2*    G   5           H2*        G   5  -0.692   1.179   7.105
  162   2HO*    G   5          2HO*        G   5  -0.643   1.010   9.513
  163    H1*    G   5           H1*        G   5  -1.468  -1.433   7.396
  164    H8     G   5           H8         G   5  -3.891   0.380   5.068
  165    H1     G   5           H1         G   5   1.501  -1.753   2.263
  166   1H2     G   5          1H2         G   5   2.694  -1.860   5.542
  167   2H2     G   5          2H2         G   5   3.069  -2.092   3.835
  168   1H5*    C   6          1H5*        C   6   0.546   2.357   9.823
  169   2H5*    C   6          2H5*        C   6   1.160   4.016   9.783
  170    H4*    C   6           H4*        C   6   2.848   2.306   9.076
  171    H3*    C   6           H3*        C   6   1.985   4.315   6.983
  172    H2*    C   6           H2*        C   6   3.807   3.437   5.663
  173   2HO*    C   6          2HO*        C   6   5.457   3.010   6.953
  174    H1*    C   6           H1*        C   6   3.210   0.818   6.239
  175   1H4     C   6          1H4         C   6  -0.979   2.603   1.426
  176   2H4     C   6          2H4         C   6   0.448   1.931   0.655
  177    H5     C   6           H5         C   6  -1.078   3.012   3.862
  178    H6     C   6           H6         C   6   0.115   2.754   5.940
  179   1H5*    G   7          1H5*        G   7   6.331   4.462   7.860
  180   2H5*    G   7          2H5*        G   7   7.023   6.058   7.529
  181    H4*    G   7           H4*        G   7   8.102   4.116   6.303
  182    H3*    G   7           H3*        G   7   6.871   6.310   4.605
  183    H2*    G   7           H2*        G   7   7.987   5.209   2.773
  184   2HO*    G   7          2HO*        G   7   9.877   4.773   4.284
  185    H1*    G   7           H1*        G   7   7.464   2.639   3.776
  186    H8     G   7           H8         G   7   7.130   2.861   1.129
  187    H1     G   7           H1         G   7   1.368   5.548   2.043
  188   1H2     G   7          1H2         G   7   1.208   6.310   4.174
  189   2H2     G   7          2H2         G   7   2.555   6.174   5.286
  190   1H5*    U   8          1H5*        U   8  10.981   5.911   3.283
  191   2H5*    U   8          2H5*        U   8  11.575   7.486   2.743
  192    H4*    U   8           H4*        U   8  11.591   5.742   0.961
  193    H3*    U   8           H3*        U   8   9.768   8.122   0.496
  194    H2*    U   8           H2*        U   8   9.587   7.236  -1.779
  195   2HO*    U   8          2HO*        U   8  11.893   6.491  -1.674
  196    H1*    U   8           H1*        U   8   9.134   4.705  -0.942
  197    H3     U   8           H3         U   8   5.044   6.161  -2.381
  198    H5     U   8           H5         U   8   5.535   7.971   1.382
  199    H6     U   8           H6         U   8   7.798   7.192   1.430
  200   1H5*    G   9          1H5*        G   9  12.426   7.857  -2.902
  201   2H5*    G   9          2H5*        G   9  13.009   9.479  -3.311
  202    H4*    G   9           H4*        G   9  12.015   8.373  -5.242
  203    H3*    G   9           H3*        G   9  10.490  10.770  -4.214
  204    H2*    G   9           H2*        G   9   9.111  10.531  -6.216
  205   2HO*    G   9          2HO*        G   9  11.143   9.785  -7.400
  206    H1*    G   9           H1*        G   9   8.744   7.910  -5.965
  207    H8     G   9           H8         G   9   9.011   8.990  -2.418
  208    H1     G   9           H1         G   9   3.249  10.170  -5.000
  209   1H2     G   9          1H2         G   9   4.962   9.792  -8.019
  210   2H2     G   9          2H2         G   9   3.454  10.259  -7.224
  211   1H5*    C  10          1H5*        C  10  10.672  11.639  -8.284
  212   2H5*    C  10          2H5*        C  10  11.153  13.334  -8.491
  213    H4*    C  10           H4*        C  10   8.962  12.937  -9.508
  214    H3*    C  10           H3*        C  10   8.921  14.651  -7.004
  215    H2*    C  10           H2*        C  10   6.616  15.017  -7.384
  216   2HO*    C  10          2HO*        C  10   5.608  14.380  -9.347
  217    H1*    C  10           H1*        C  10   6.045  12.405  -8.171
  218   1H4     C  10          1H4         C  10   5.965  12.618  -1.552
  219   2H4     C  10          2H4         C  10   4.347  13.030  -2.112
  220    H5     C  10           H5         C  10   7.856  12.360  -3.132
  221    H6     C  10           H6         C  10   8.439  12.263  -5.475
  222    H3T    C  10           H3T        C  10   8.401  15.445  -9.637
  Start of MODEL   24
    1   1H5*    G   1          1H5*        G   1  -7.768  13.752  -3.306
    2   2H5*    G   1          2H5*        G   1  -7.972  12.105  -3.932
    3    H4*    G   1           H4*        G   1  -6.799  13.626  -5.519
    4    H3*    G   1           H3*        G   1  -5.171  11.288  -4.472
    5    H2*    G   1           H2*        G   1  -3.562  11.941  -6.174
    6   2HO*    G   1          2HO*        G   1  -5.319  12.520  -7.694
    7    H1*    G   1           H1*        G   1  -3.704  14.566  -5.613
    8    H8     G   1           H8         G   1  -3.865  12.628  -2.321
    9    H1     G   1           H1         G   1   2.067  13.593  -4.620
   10   1H2     G   1          1H2         G   1   0.370  14.412  -7.563
   11   2H2     G   1          2H2         G   1   1.933  14.141  -6.792
   12    H5T    G   1           H5T        G   1  -6.001  13.004  -2.098
   13   1H5*    C   2          1H5*        C   2  -5.028  11.031  -8.862
   14   2H5*    C   2          2H5*        C   2  -4.905   9.320  -9.296
   15    H4*    C   2           H4*        C   2  -3.012  10.696 -10.138
   16    H3*    C   2           H3*        C   2  -2.308   8.551  -8.120
   17    H2*    C   2           H2*        C   2   0.001   9.067  -8.679
   18   2HO*    C   2          2HO*        C   2  -0.566   9.445 -10.971
   19    H1*    C   2           H1*        C   2  -0.352  11.768  -8.546
   20   1H4     C   2          1H4         C   2   0.147   9.457  -2.327
   21   2H4     C   2          2H4         C   2   1.784   9.768  -2.895
   22    H5     C   2           H5         C   2  -1.810   9.655  -3.819
   23    H6     C   2           H6         C   2  -2.519  10.248  -6.047
   24   1H5*    A   3          1H5*        A   3   0.001   7.874 -11.764
   25   2H5*    A   3          2H5*        A   3   0.376   6.161 -11.999
   26    H4*    A   3           H4*        A   3   2.322   7.844 -11.779
   27    H3*    A   3           H3*        A   3   2.182   5.269 -10.274
   28    H2*    A   3           H2*        A   3   4.130   5.794  -9.047
   29   2HO*    A   3          2HO*        A   3   5.345   6.374 -10.877
   30    H1*    A   3           H1*        A   3   3.758   8.500  -8.821
   31    H8     A   3           H8         A   3   0.429   7.255  -7.786
   32   1H6     A   3          1H6         A   3   3.024   6.815  -2.158
   33   2H6     A   3          2H6         A   3   1.502   6.884  -3.044
   34    H2     A   3           H2         A   3   6.274   6.682  -5.159
   35   1H5*    G   4          1H5*        G   4   2.598   1.556 -10.756
   36   2H5*    G   4          2H5*        G   4   2.345   3.176 -10.137
   37    H4*    G   4           H4*        G   4   5.183   2.159 -10.299
   38    H3*    G   4           H3*        G   4   3.096   1.136  -8.369
   39    H2*    G   4           H2*        G   4   4.771   1.182  -6.621
   40   2HO*    G   4          2HO*        G   4   6.496   0.574  -8.191
   41    H1*    G   4           H1*        G   4   5.599   3.704  -7.179
   42    H8     G   4           H8         G   4   1.936   3.800  -8.086
   43    H1     G   4           H1         G   4   2.937   3.612  -1.738
   44   1H2     G   4          1H2         G   4   6.289   3.209  -2.722
   45   2H2     G   4          2H2         G   4   5.188   3.308  -1.358
   46   1H5*    G   5          1H5*        G   5   6.881  -1.141  -7.879
   47   2H5*    G   5          2H5*        G   5   6.514  -2.834  -7.521
   48    H4*    G   5           H4*        G   5   8.050  -1.683  -5.876
   49    H3*    G   5           H3*        G   5   5.456  -2.894  -4.902
   50    H2*    G   5           H2*        G   5   6.249  -2.412  -2.660
   51   2HO*    G   5          2HO*        G   5   8.519  -2.919  -3.388
   52    H1*    G   5           H1*        G   5   7.089   0.104  -3.238
   53    H8     G   5           H8         G   5   3.895  -0.343  -5.223
   54    H1     G   5           H1         G   5   2.971   0.848   1.038
   55   1H2     G   5          1H2         G   5   6.306  -0.126   1.328
   56   2H2     G   5          2H2         G   5   4.846   0.387   2.173
   57   1H5*    C   6          1H5*        C   6   8.641  -4.458  -2.349
   58   2H5*    C   6          2H5*        C   6   8.308  -6.166  -2.024
   59    H4*    C   6           H4*        C   6   8.507  -4.818   0.057
   60    H3*    C   6           H3*        C   6   5.803  -6.029  -0.551
   61    H2*    C   6           H2*        C   6   5.164  -5.349   1.662
   62   2HO*    C   6          2HO*        C   6   6.846  -5.705   2.955
   63    H1*    C   6           H1*        C   6   6.322  -2.868   1.470
   64   1H4     C   6          1H4         C   6   0.476  -2.404  -1.620
   65   2H4     C   6          2H4         C   6   0.207  -1.982   0.064
   66    H5     C   6           H5         C   6   2.640  -3.285  -2.416
   67    H6     C   6           H6         C   6   4.901  -3.803  -1.764
   68   1H5*    G   7          1H5*        G   7   7.539  -7.500   3.296
   69   2H5*    G   7          2H5*        G   7   6.946  -9.129   3.668
   70    H4*    G   7           H4*        G   7   6.543  -7.409   5.471
   71    H3*    G   7           H3*        G   7   4.098  -8.713   4.234
   72    H2*    G   7           H2*        G   7   2.879  -7.644   6.006
   73   2HO*    G   7          2HO*        G   7   4.775  -8.141   7.498
   74    H1*    G   7           H1*        G   7   4.433  -5.311   5.923
   75    H8     G   7           H8         G   7   1.871  -4.753   6.224
   76    H1     G   7           H1         G   7   0.773  -5.884  -0.003
   77   1H2     G   7          1H2         G   7   2.499  -7.059  -0.884
   78   2H2     G   7          2H2         G   7   3.847  -7.570   0.110
   79   1H5*    U   8          1H5*        U   8   3.639  -9.316   8.490
   80   2H5*    U   8          2H5*        U   8   2.814 -10.857   8.748
   81    H4*    U   8           H4*        U   8   1.555  -8.892   9.623
   82    H3*    U   8           H3*        U   8   0.254 -10.471   7.387
   83    H2*    U   8           H2*        U   8  -1.727  -9.147   7.879
   84   2HO*    U   8          2HO*        U   8  -1.179  -9.181  10.233
   85    H1*    U   8           H1*        U   8  -0.386  -6.805   8.008
   86    H3     U   8           H3         U   8  -2.784  -6.627   4.126
   87    H5     U   8           H5         U   8   0.390  -9.242   3.247
   88    H6     U   8           H6         U   8   1.057  -9.159   5.547
   89   1H5*    G   9          1H5*        G   9  -2.509 -10.337  10.844
   90   2H5*    G   9          2H5*        G   9  -3.167 -11.966  11.062
   91    H4*    G   9           H4*        G   9  -4.933 -10.288  10.976
   92    H3*    G   9           H3*        G   9  -4.869 -12.250   8.682
   93    H2*    G   9           H2*        G   9  -6.992 -11.272   7.989
   94   2HO*    G   9          2HO*        G   9  -7.517 -10.986  10.382
   95    H1*    G   9           H1*        G   9  -6.228  -8.741   8.244
   96    H8     G   9           H8         G   9  -3.059 -10.409   7.256
   97    H1     G   9           H1         G   9  -7.024  -9.333   2.315
   98   1H2     G   9          1H2         G   9  -9.414  -8.969   4.837
   99   2H2     G   9          2H2         G   9  -9.106  -9.068   3.100
  100   1H5*    C  10          1H5*        C  10  -8.944 -12.390   9.753
  101   2H5*    C  10          2H5*        C  10  -9.415 -14.096   9.850
  102    H4*    C  10           H4*        C  10 -10.791 -12.954   8.195
  103    H3*    C  10           H3*        C  10  -8.758 -14.864   6.996
  104    H2*    C  10           H2*        C  10  -9.849 -14.516   4.904
  105   2HO*    C  10          2HO*        C  10 -12.000 -14.390   6.170
  106    H1*    C  10           H1*        C  10 -10.136 -11.783   5.250
  107   1H4     C  10          1H4         C  10  -3.950 -13.063   3.157
  108   2H4     C  10          2H4         C  10  -4.963 -12.854   1.731
  109    H5     C  10           H5         C  10  -4.922 -13.100   5.438
  110    H6     C  10           H6         C  10  -6.963 -12.787   6.695
  111    H3T    C  10           H3T        C  10 -10.414 -16.298   7.143
  112   1H5*    G   1          1H5*        G   1  -7.531 -11.935  -8.701
  113   2H5*    G   1          2H5*        G   1  -8.156 -10.293  -8.924
  114    H4*    G   1           H4*        G   1  -9.771 -11.518  -7.641
  115    H3*    G   1           H3*        G   1  -8.171  -9.649  -5.864
  116    H2*    G   1           H2*        G   1  -9.716 -10.216  -4.128
  117   2HO*    G   1          2HO*        G   1 -11.529 -10.304  -5.744
  118    H1*    G   1           H1*        G   1  -9.665 -12.852  -4.614
  119    H8     G   1           H8         G   1  -6.148 -11.637  -5.242
  120    H1     G   1           H1         G   1  -7.591 -12.495   0.972
  121   1H2     G   1          1H2         G   1 -10.884 -12.446  -0.202
  122   2H2     G   1          2H2         G   1  -9.825 -12.487   1.208
  123    H5T    G   1           H5T        G   1  -6.741  -9.555  -7.366
  124   1H5*    C   2          1H5*        C   2 -12.135  -8.621  -4.950
  125   2H5*    C   2          2H5*        C   2 -12.247  -6.868  -4.726
  126    H4*    C   2           H4*        C   2 -12.938  -8.105  -2.707
  127    H3*    C   2           H3*        C   2 -10.405  -6.477  -2.427
  128    H2*    C   2           H2*        C   2 -10.549  -6.993  -0.061
  129   2HO*    C   2          2HO*        C   2 -12.950  -6.817  -0.139
  130    H1*    C   2           H1*        C   2 -11.157  -9.636  -0.445
  131   1H4     C   2          1H4         C   2  -4.592  -8.982  -1.230
  132   2H4     C   2          2H4         C   2  -4.905  -9.214   0.490
  133    H5     C   2           H5         C   2  -6.450  -8.696  -2.849
  134    H6     C   2           H6         C   2  -8.858  -8.694  -3.079
  135   1H5*    A   3          1H5*        A   3 -13.202  -5.181   0.633
  136   2H5*    A   3          2H5*        A   3 -13.013  -3.450   0.962
  137    H4*    A   3           H4*        A   3 -12.625  -4.982   2.948
  138    H3*    A   3           H3*        A   3 -10.410  -3.137   2.027
  139    H2*    A   3           H2*        A   3  -9.166  -3.883   3.948
  140   2HO*    A   3          2HO*        A   3 -11.186  -3.884   5.262
  141    H1*    A   3           H1*        A   3  -9.855  -6.542   3.686
  142    H8     A   3           H8         A   3  -9.117  -5.367   0.186
  143   1H6     A   3          1H6         A   3  -3.212  -6.749   1.614
  144   2H6     A   3          2H6         A   3  -4.313  -6.340   0.297
  145    H2     A   3           H2         A   3  -5.472  -6.432   5.387
  146   1H5*    G   4          1H5*        G   4 -10.793  -2.049   6.236
  147   2H5*    G   4          2H5*        G   4 -10.466  -0.309   6.381
  148    H4*    G   4           H4*        G   4  -8.786  -1.719   7.578
  149    H3*    G   4           H3*        G   4  -7.757  -0.131   5.217
  150    H2*    G   4           H2*        G   4  -5.555  -0.909   5.806
  151   2HO*    G   4          2HO*        G   4  -5.488  -0.911   7.992
  152    H1*    G   4           H1*        G   4  -6.325  -3.500   6.153
  153    H8     G   4           H8         G   4  -8.244  -1.939   3.191
  154    H1     G   4           H1         G   4  -2.174  -3.665   1.918
  155   1H2     G   4          1H2         G   4  -2.040  -4.137   5.381
  156   2H2     G   4          2H2         G   4  -1.133  -4.171   3.880
  157   1H5*    G   5          1H5*        G   5  -5.526   0.579   9.152
  158   2H5*    G   5          2H5*        G   5  -4.865   2.223   9.156
  159    H4*    G   5           H4*        G   5  -3.204   0.398   9.697
  160    H3*    G   5           H3*        G   5  -2.661   2.158   7.290
  161    H2*    G   5           H2*        G   5  -0.481   1.074   7.236
  162   2HO*    G   5          2HO*        G   5  -0.481   0.988   9.667
  163    H1*    G   5           H1*        G   5  -1.489  -1.432   7.588
  164    H8     G   5           H8         G   5  -3.924   0.389   5.313
  165    H1     G   5           H1         G   5   1.382  -1.747   2.355
  166   1H2     G   5          1H2         G   5   2.669  -1.870   5.595
  167   2H2     G   5          2H2         G   5   2.995  -2.094   3.877
  168   1H5*    C   6          1H5*        C   6   0.925   2.182   9.765
  169   2H5*    C   6          2H5*        C   6   1.619   3.809   9.756
  170    H4*    C   6           H4*        C   6   3.225   2.072   8.974
  171    H3*    C   6           H3*        C   6   2.350   4.132   6.937
  172    H2*    C   6           H2*        C   6   4.095   3.246   5.540
  173   2HO*    C   6          2HO*        C   6   5.786   2.803   6.788
  174    H1*    C   6           H1*        C   6   3.489   0.622   6.109
  175   1H4     C   6          1H4         C   6  -0.818   2.547   1.452
  176   2H4     C   6          2H4         C   6   0.594   1.907   0.623
  177    H5     C   6           H5         C   6  -0.854   2.870   3.902
  178    H6     C   6           H6         C   6   0.399   2.554   5.937
  179   1H5*    G   7          1H5*        G   7   6.728   4.140   7.767
  180   2H5*    G   7          2H5*        G   7   7.416   5.758   7.543
  181    H4*    G   7           H4*        G   7   8.565   3.951   6.220
  182    H3*    G   7           H3*        G   7   7.209   6.149   4.623
  183    H2*    G   7           H2*        G   7   8.374   5.204   2.734
  184   2HO*    G   7          2HO*        G   7  10.300   4.840   4.223
  185    H1*    G   7           H1*        G   7   8.037   2.563   3.645
  186    H8     G   7           H8         G   7   7.621   2.713   1.031
  187    H1     G   7           H1         G   7   1.806   5.265   1.994
  188   1H2     G   7          1H2         G   7   1.661   6.056   4.115
  189   2H2     G   7          2H2         G   7   3.024   5.967   5.211
  190   1H5*    U   8          1H5*        U   8  11.308   6.183   3.314
  191   2H5*    U   8          2H5*        U   8  11.774   7.849   2.938
  192    H4*    U   8           H4*        U   8  11.942   6.351   0.973
  193    H3*    U   8           H3*        U   8   9.801   8.497   0.787
  194    H2*    U   8           H2*        U   8   9.676   7.845  -1.560
  195   2HO*    U   8          2HO*        U   8  12.058   7.437  -1.592
  196    H1*    U   8           H1*        U   8   9.630   5.191  -0.990
  197    H3     U   8           H3         U   8   5.394   6.212  -2.336
  198    H5     U   8           H5         U   8   5.623   7.754   1.571
  199    H6     U   8           H6         U   8   7.963   7.225   1.608
  200   1H5*    G   9          1H5*        G   9  12.463   8.956  -2.649
  201   2H5*    G   9          2H5*        G   9  12.811  10.682  -2.840
  202    H4*    G   9           H4*        G   9  12.045   9.699  -4.926
  203    H3*    G   9           H3*        G   9  10.128  11.687  -3.696
  204    H2*    G   9           H2*        G   9   8.904  11.514  -5.804
  205   2HO*    G   9          2HO*        G   9  11.069  11.228  -6.941
  206    H1*    G   9           H1*        G   9   8.925   8.856  -5.877
  207    H8     G   9           H8         G   9   8.868   9.501  -2.223
  208    H1     G   9           H1         G   9   3.145  10.292  -5.059
  209   1H2     G   9          1H2         G   9   5.076  10.412  -7.967
  210   2H2     G   9          2H2         G   9   3.464  10.593  -7.267
  211   1H5*    C  10          1H5*        C  10  10.436  13.017  -7.686
  212   2H5*    C  10          2H5*        C  10  10.664  14.774  -7.684
  213    H4*    C  10           H4*        C  10   8.677  14.151  -8.980
  214    H3*    C  10           H3*        C  10   8.124  15.618  -6.383
  215    H2*    C  10           H2*        C  10   5.848  15.716  -7.030
  216   2HO*    C  10          2HO*        C  10   5.176  15.122  -9.143
  217    H1*    C  10           H1*        C  10   5.750  13.126  -8.059
  218   1H4     C  10          1H4         C  10   4.866  12.873  -1.488
  219   2H4     C  10          2H4         C  10   3.287  13.152  -2.215
  220    H5     C  10           H5         C  10   6.940  12.893  -2.845
  221    H6     C  10           H6         C  10   7.797  13.030  -5.105
  222    H3T    C  10           H3T        C  10   7.807  16.569  -8.998
  Start of MODEL   25
    1   1H5*    G   1          1H5*        G   1  -6.669  15.443  -2.729
    2   2H5*    G   1          2H5*        G   1  -7.301  13.941  -3.431
    3    H4*    G   1           H4*        G   1  -6.149  15.253  -5.132
    4    H3*    G   1           H3*        G   1  -4.720  12.703  -4.329
    5    H2*    G   1           H2*        G   1  -3.200  13.168  -6.142
    6   2HO*    G   1          2HO*        G   1  -5.050  14.038  -7.458
    7    H1*    G   1           H1*        G   1  -2.886  15.762  -5.576
    8    H8     G   1           H8         G   1  -3.158  13.992  -2.241
    9    H1     G   1           H1         G   1   2.662  13.678  -4.968
   10   1H2     G   1          1H2         G   1   0.930  14.660  -7.841
   11   2H2     G   1          2H2         G   1   2.470  14.138  -7.158
   12    H5T    G   1           H5T        G   1  -6.313  13.466  -1.480
   13   1H5*    C   2          1H5*        C   2  -4.872  12.488  -8.620
   14   2H5*    C   2          2H5*        C   2  -5.156  10.800  -9.071
   15    H4*    C   2           H4*        C   2  -3.047  11.691 -10.009
   16    H3*    C   2           H3*        C   2  -2.771   9.467  -7.980
   17    H2*    C   2           H2*        C   2  -0.423   9.430  -8.588
   18   2HO*    C   2          2HO*        C   2  -0.959   9.861 -10.882
   19    H1*    C   2           H1*        C   2  -0.143  12.153  -8.570
   20   1H4     C   2          1H4         C   2   0.137  10.168  -2.244
   21   2H4     C   2          2H4         C   2   1.768  10.074  -2.906
   22    H5     C   2           H5         C   2  -1.813  10.689  -3.685
   23    H6     C   2           H6         C   2  -2.477  11.295  -5.927
   24   1H5*    A   3          1H5*        A   3  -0.779   8.195 -11.668
   25   2H5*    A   3          2H5*        A   3  -0.921   6.438 -11.851
   26    H4*    A   3           H4*        A   3   1.450   7.336 -11.726
   27    H3*    A   3           H3*        A   3   0.494   5.290  -9.717
   28    H2*    A   3           H2*        A   3   2.731   5.259  -8.842
   29   2HO*    A   3          2HO*        A   3   3.615   5.427 -11.077
   30    H1*    A   3           H1*        A   3   3.109   7.984  -8.954
   31    H8     A   3           H8         A   3  -0.403   7.471  -7.647
   32   1H6     A   3          1H6         A   3   2.404   7.060  -2.098
   33   2H6     A   3          2H6         A   3   0.844   7.226  -2.906
   34    H2     A   3           H2         A   3   5.473   6.487  -5.207
   35   1H5*    G   4          1H5*        G   4   4.179   3.445 -11.246
   36   2H5*    G   4          2H5*        G   4   3.913   1.690 -11.262
   37    H4*    G   4           H4*        G   4   5.740   2.408  -9.704
   38    H3*    G   4           H3*        G   4   3.303   1.100  -8.489
   39    H2*    G   4           H2*        G   4   4.397   1.216  -6.361
   40   2HO*    G   4          2HO*        G   4   6.502   0.726  -6.808
   41    H1*    G   4           H1*        G   4   5.281   3.781  -6.670
   42    H8     G   4           H8         G   4   1.712   3.378  -8.093
   43    H1     G   4           H1         G   4   2.090   3.801  -1.679
   44   1H2     G   4          1H2         G   4   5.520   3.501  -2.306
   45   2H2     G   4          2H2         G   4   4.285   3.640  -1.067
   46   1H5*    G   5          1H5*        G   5   7.433  -0.822  -7.486
   47   2H5*    G   5          2H5*        G   5   7.163  -2.550  -7.205
   48    H4*    G   5           H4*        G   5   8.529  -1.395  -5.431
   49    H3*    G   5           H3*        G   5   5.930  -2.724  -4.629
   50    H2*    G   5           H2*        G   5   6.596  -2.275  -2.339
   51   2HO*    G   5          2HO*        G   5   8.911  -2.697  -2.951
   52    H1*    G   5           H1*        G   5   7.398   0.278  -2.825
   53    H8     G   5           H8         G   5   4.260  -0.364  -4.890
   54    H1     G   5           H1         G   5   3.143   0.958   1.314
   55   1H2     G   5          1H2         G   5   6.511   0.146   1.694
   56   2H2     G   5          2H2         G   5   5.007   0.589   2.501
   57   1H5*    C   6          1H5*        C   6   9.034  -4.250  -1.936
   58   2H5*    C   6          2H5*        C   6   8.712  -5.966  -1.645
   59    H4*    C   6           H4*        C   6   8.778  -4.640   0.456
   60    H3*    C   6           H3*        C   6   6.121  -5.869  -0.303
   61    H2*    C   6           H2*        C   6   5.370  -5.227   1.885
   62   2HO*    C   6          2HO*        C   6   6.985  -5.582   3.258
   63    H1*    C   6           H1*        C   6   6.517  -2.733   1.779
   64   1H4     C   6          1H4         C   6   0.779  -2.378  -1.542
   65   2H4     C   6          2H4         C   6   0.442  -1.950   0.129
   66    H5     C   6           H5         C   6   2.988  -3.224  -2.253
   67    H6     C   6           H6         C   6   5.234  -3.695  -1.513
   68   1H5*    G   7          1H5*        G   7   7.694  -7.376   3.598
   69   2H5*    G   7          2H5*        G   7   7.103  -9.015   3.925
   70    H4*    G   7           H4*        G   7   6.615  -7.320   5.732
   71    H3*    G   7           H3*        G   7   4.233  -8.639   4.393
   72    H2*    G   7           H2*        G   7   2.942  -7.611   6.140
   73   2HO*    G   7          2HO*        G   7   4.796  -8.096   7.687
   74    H1*    G   7           H1*        G   7   4.457  -5.254   6.128
   75    H8     G   7           H8         G   7   1.861  -4.783   6.354
   76    H1     G   7           H1         G   7   1.036  -5.791   0.064
   77   1H2     G   7          1H2         G   7   2.823  -6.903  -0.775
   78   2H2     G   7          2H2         G   7   4.142  -7.408   0.261
   79   1H5*    U   8          1H5*        U   8   3.640  -9.295   8.624
   80   2H5*    U   8          2H5*        U   8   2.822 -10.847   8.841
   81    H4*    U   8           H4*        U   8   1.523  -8.897   9.695
   82    H3*    U   8           H3*        U   8   0.297 -10.475   7.417
   83    H2*    U   8           H2*        U   8  -1.711  -9.175   7.871
   84   2HO*    U   8          2HO*        U   8  -1.215  -9.213  10.238
   85    H1*    U   8           H1*        U   8  -0.397  -6.820   8.038
   86    H3     U   8           H3         U   8  -2.713  -6.680   4.101
   87    H5     U   8           H5         U   8   0.539  -9.219   3.289
   88    H6     U   8           H6         U   8   1.147  -9.134   5.605
   89   1H5*    G   9          1H5*        G   9  -2.543 -10.378  10.806
   90   2H5*    G   9          2H5*        G   9  -3.201 -12.009  11.007
   91    H4*    G   9           H4*        G   9  -4.966 -10.326  10.884
   92    H3*    G   9           H3*        G   9  -4.857 -12.308   8.609
   93    H2*    G   9           H2*        G   9  -6.963 -11.335   7.859
   94   2HO*    G   9          2HO*        G   9  -7.527 -11.024  10.249
   95    H1*    G   9           H1*        G   9  -6.209  -8.800   8.116
   96    H8     G   9           H8         G   9  -3.011 -10.447   7.204
   97    H1     G   9           H1         G   9  -6.881  -9.436   2.173
   98   1H2     G   9          1H2         G   9  -9.329  -9.091   4.642
   99   2H2     G   9          2H2         G   9  -8.982  -9.192   2.912
  100   1H5*    C  10          1H5*        C  10  -8.940 -12.421   9.551
  101   2H5*    C  10          2H5*        C  10  -9.416 -14.121   9.697
  102    H4*    C  10           H4*        C  10 -10.754 -13.072   7.968
  103    H3*    C  10           H3*        C  10  -8.633 -14.934   6.831
  104    H2*    C  10           H2*        C  10  -9.712 -14.656   4.732
  105   2HO*    C  10          2HO*        C  10 -11.873 -14.647   5.860
  106    H1*    C  10           H1*        C  10 -10.066 -11.926   5.031
  107   1H4     C  10          1H4         C  10  -3.810 -13.114   3.088
  108   2H4     C  10          2H4         C  10  -4.794 -12.935   1.638
  109    H5     C  10           H5         C  10  -4.828 -13.141   5.347
  110    H6     C  10           H6         C  10  -6.900 -12.849   6.557
  111    H3T    C  10           H3T        C  10 -10.149 -15.951   8.174
  112   1H5*    G   1          1H5*        G   1  -7.133 -12.076  -8.851
  113   2H5*    G   1          2H5*        G   1  -7.769 -10.441  -9.091
  114    H4*    G   1           H4*        G   1  -9.399 -11.679  -7.842
  115    H3*    G   1           H3*        G   1  -7.856  -9.792  -6.033
  116    H2*    G   1           H2*        G   1  -9.435 -10.371  -4.331
  117   2HO*    G   1          2HO*        G   1 -11.210 -10.480  -5.988
  118    H1*    G   1           H1*        G   1  -9.347 -13.007  -4.810
  119    H8     G   1           H8         G   1  -5.830 -11.758  -5.362
  120    H1     G   1           H1         G   1  -7.403 -12.613   0.819
  121   1H2     G   1          1H2         G   1 -10.669 -12.604  -0.429
  122   2H2     G   1          2H2         G   1  -9.642 -12.631   1.005
  123    H5T    G   1           H5T        G   1  -6.396  -9.685  -7.505
  124   1H5*    C   2          1H5*        C   2 -11.845  -8.802  -5.202
  125   2H5*    C   2          2H5*        C   2 -11.979  -7.049  -4.988
  126    H4*    C   2           H4*        C   2 -12.700  -8.284  -2.978
  127    H3*    C   2           H3*        C   2 -10.184  -6.636  -2.652
  128    H2*    C   2           H2*        C   2 -10.377  -7.141  -0.287
  129   2HO*    C   2          2HO*        C   2 -12.777  -6.984  -0.419
  130    H1*    C   2           H1*        C   2 -10.956  -9.791  -0.673
  131   1H4     C   2          1H4         C   2  -4.381  -9.071  -1.318
  132   2H4     C   2          2H4         C   2  -4.728  -9.301   0.395
  133    H5     C   2           H5         C   2  -6.206  -8.817  -2.978
  134    H6     C   2           H6         C   2  -8.609  -8.842  -3.262
  135   1H5*    A   3          1H5*        A   3 -13.057  -5.345   0.336
  136   2H5*    A   3          2H5*        A   3 -12.889  -3.611   0.660
  137    H4*    A   3           H4*        A   3 -12.534  -5.128   2.662
  138    H3*    A   3           H3*        A   3 -10.309  -3.276   1.780
  139    H2*    A   3           H2*        A   3  -9.109  -4.000   3.737
  140   2HO*    A   3          2HO*        A   3 -11.157  -4.005   5.004
  141    H1*    A   3           H1*        A   3  -9.774  -6.666   3.473
  142    H8     A   3           H8         A   3  -8.959  -5.506  -0.015
  143   1H6     A   3          1H6         A   3  -3.076  -6.814   1.566
  144   2H6     A   3          2H6         A   3  -4.149  -6.425   0.220
  145    H2     A   3           H2         A   3  -5.433  -6.504   5.281
  146   1H5*    G   4          1H5*        G   4 -10.810  -2.150   5.968
  147   2H5*    G   4          2H5*        G   4 -10.490  -0.409   6.107
  148    H4*    G   4           H4*        G   4  -8.842  -1.807   7.361
  149    H3*    G   4           H3*        G   4  -7.746  -0.238   5.017
  150    H2*    G   4           H2*        G   4  -5.561  -1.006   5.686
  151   2HO*    G   4          2HO*        G   4  -5.524  -1.024   7.860
  152    H1*    G   4           H1*        G   4  -6.339  -3.595   6.016
  153    H8     G   4           H8         G   4  -8.178  -2.063   2.993
  154    H1     G   4           H1         G   4  -2.051  -3.715   1.909
  155   1H2     G   4          1H2         G   4  -1.065  -4.207   3.902
  156   2H2     G   4          2H2         G   4  -2.017  -4.181   5.375
  157   1H5*    G   5          1H5*        G   5  -5.672   0.504   9.013
  158   2H5*    G   5          2H5*        G   5  -4.995   2.141   9.042
  159    H4*    G   5           H4*        G   5  -3.386   0.288   9.658
  160    H3*    G   5           H3*        G   5  -2.699   2.055   7.294
  161    H2*    G   5           H2*        G   5  -0.531   0.937   7.350
  162   2HO*    G   5          2HO*        G   5  -0.676   0.817   9.780
  163    H1*    G   5           H1*        G   5  -1.596  -1.551   7.604
  164    H8     G   5           H8         G   5  -3.924   0.289   5.252
  165    H1     G   5           H1         G   5   1.524  -1.749   2.492
  166   1H2     G   5          1H2         G   5   2.687  -1.875   5.779
  167   2H2     G   5          2H2         G   5   3.086  -2.065   4.071
  168   1H5*    C   6          1H5*        C   6   0.683   1.974  10.014
  169   2H5*    C   6          2H5*        C   6   1.434   3.571  10.119
  170    H4*    C   6           H4*        C   6   3.010   1.741   9.420
  171    H3*    C   6           H3*        C   6   2.511   4.081   7.583
  172    H2*    C   6           H2*        C   6   4.123   3.201   6.093
  173   2HO*    C   6          2HO*        C   6   5.627   2.695   7.844
  174    H1*    C   6           H1*        C   6   3.494   0.524   6.465
  175   1H4     C   6          1H4         C   6  -0.672   2.375   1.710
  176   2H4     C   6          2H4         C   6   0.780   1.800   0.909
  177    H5     C   6           H5         C   6  -0.776   2.727   4.143
  178    H6     C   6           H6         C   6   0.427   2.464   6.210
  179   1H5*    G   7          1H5*        G   7   6.026   7.120   6.829
  180   2H5*    G   7          2H5*        G   7   5.075   6.625   5.426
  181    H4*    G   7           H4*        G   7   7.395   5.101   6.690
  182    H3*    G   7           H3*        G   7   6.898   6.534   4.081
  183    H2*    G   7           H2*        G   7   8.248   4.937   2.929
  184   2HO*    G   7          2HO*        G   7   9.627   4.850   5.035
  185    H1*    G   7           H1*        G   7   7.194   2.734   4.162
  186    H8     G   7           H8         G   7   7.202   3.185   1.352
  187    H1     G   7           H1         G   7   1.176   5.301   2.085
  188   1H2     G   7          1H2         G   7   0.813   5.778   4.318
  189   2H2     G   7          2H2         G   7   2.129   5.578   5.462
  190   1H5*    U   8          1H5*        U   8  10.625   6.000   3.282
  191   2H5*    U   8          2H5*        U   8  11.425   7.504   2.786
  192    H4*    U   8           H4*        U   8  11.386   5.869   0.953
  193    H3*    U   8           H3*        U   8   9.574   8.265   0.504
  194    H2*    U   8           H2*        U   8   9.379   7.410  -1.770
  195   2HO*    U   8          2HO*        U   8  11.682   6.659  -1.694
  196    H1*    U   8           H1*        U   8   8.937   4.865  -0.961
  197    H3     U   8           H3         U   8   4.852   6.342  -2.393
  198    H5     U   8           H5         U   8   5.340   8.126   1.383
  199    H6     U   8           H6         U   8   7.594   7.318   1.439
  200   1H5*    G   9          1H5*        G   9  12.265   7.998  -2.897
  201   2H5*    G   9          2H5*        G   9  12.850   9.624  -3.283
  202    H4*    G   9           H4*        G   9  11.903   8.522  -5.240
  203    H3*    G   9           H3*        G   9  10.348  10.914  -4.242
  204    H2*    G   9           H2*        G   9   9.038  10.685  -6.294
  205   2HO*    G   9          2HO*        G   9  11.113   9.932  -7.405
  206    H1*    G   9           H1*        G   9   8.666   8.061  -6.060
  207    H8     G   9           H8         G   9   8.809   9.132  -2.506
  208    H1     G   9           H1         G   9   3.136  10.284  -5.306
  209   1H2     G   9          1H2         G   9   4.972   9.895  -8.253
  210   2H2     G   9          2H2         G   9   3.421  10.334  -7.530
  211   1H5*    C  10          1H5*        C  10  10.630  11.750  -8.315
  212   2H5*    C  10          2H5*        C  10  11.172  13.425  -8.516
  213    H4*    C  10           H4*        C  10   9.038  13.149  -9.631
  214    H3*    C  10           H3*        C  10   8.797  14.718  -7.035
  215    H2*    C  10           H2*        C  10   6.562  15.195  -7.689
  216   2HO*    C  10          2HO*        C  10   7.298  15.383 -10.007
  217    H1*    C  10           H1*        C  10   6.030  12.619  -8.542
  218   1H4     C  10          1H4         C  10   5.540  12.849  -1.909
  219   2H4     C  10          2H4         C  10   3.960  13.255  -2.573
  220    H5     C  10           H5         C  10   7.516  12.538  -3.371
  221    H6     C  10           H6         C  10   8.241  12.413  -5.669
  222    H3T    C  10           H3T        C  10  10.118  15.688  -8.600
  Start of MODEL   26
    1   1H5*    G   1          1H5*        G   1  -6.464  15.902  -2.592
    2   2H5*    G   1          2H5*        G   1  -7.167  14.397  -3.216
    3    H4*    G   1           H4*        G   1  -6.010  15.597  -4.996
    4    H3*    G   1           H3*        G   1  -4.657  13.028  -4.122
    5    H2*    G   1           H2*        G   1  -3.166  13.359  -5.987
    6   2HO*    G   1          2HO*        G   1  -5.015  14.248  -7.294
    7    H1*    G   1           H1*        G   1  -2.741  15.961  -5.536
    8    H8     G   1           H8         G   1  -2.995  14.342  -2.124
    9    H1     G   1           H1         G   1   2.725  13.653  -4.991
   10   1H2     G   1          1H2         G   1   0.952  14.595  -7.855
   11   2H2     G   1          2H2         G   1   2.487  14.029  -7.194
   12    H5T    G   1           H5T        G   1  -6.150  13.964  -1.271
   13   1H5*    C   2          1H5*        C   2  -4.905  12.650  -8.396
   14   2H5*    C   2          2H5*        C   2  -5.277  10.960  -8.769
   15    H4*    C   2           H4*        C   2  -3.159  11.702  -9.797
   16    H3*    C   2           H3*        C   2  -2.918   9.574  -7.664
   17    H2*    C   2           H2*        C   2  -0.594   9.395  -8.350
   18   2HO*    C   2          2HO*        C   2  -1.178   9.732 -10.641
   19    H1*    C   2           H1*        C   2  -0.195  12.099  -8.467
   20   1H4     C   2          1H4         C   2   0.171  10.361  -2.068
   21   2H4     C   2          2H4         C   2   1.777  10.167  -2.770
   22    H5     C   2           H5         C   2  -1.791  10.925  -3.477
   23    H6     C   2           H6         C   2  -2.488  11.473  -5.725
   24   1H5*    A   3          1H5*        A   3  -1.144   8.021 -11.353
   25   2H5*    A   3          2H5*        A   3  -1.378   6.266 -11.438
   26    H4*    A   3           H4*        A   3   1.036   7.039 -11.459
   27    H3*    A   3           H3*        A   3   0.078   5.181  -9.274
   28    H2*    A   3           H2*        A   3   2.364   5.073  -8.534
   29   2HO*    A   3          2HO*        A   3   3.166   5.028 -10.774
   30    H1*    A   3           H1*        A   3   2.854   7.765  -8.817
   31    H8     A   3           H8         A   3  -0.607   7.485  -7.321
   32   1H6     A   3          1H6         A   3   2.415   7.165  -1.882
   33   2H6     A   3          2H6         A   3   0.834   7.377  -2.636
   34    H2     A   3           H2         A   3   5.326   6.344  -5.091
   35   1H5*    G   4          1H5*        G   4   3.406   2.803 -10.976
   36   2H5*    G   4          2H5*        G   4   2.957   1.097 -10.765
   37    H4*    G   4           H4*        G   4   4.977   1.791  -9.435
   38    H3*    G   4           H3*        G   4   2.533   1.069  -7.815
   39    H2*    G   4           H2*        G   4   3.907   1.139  -5.867
   40   2HO*    G   4          2HO*        G   4   5.946   0.434  -6.812
   41    H1*    G   4           H1*        G   4   4.872   3.581  -6.562
   42    H8     G   4           H8         G   4   1.195   3.377  -7.674
   43    H1     G   4           H1         G   4   2.057   3.909  -1.316
   44   1H2     G   4          1H2         G   4   5.408   3.360  -2.179
   45   2H2     G   4          2H2         G   4   4.279   3.584  -0.855
   46   1H5*    G   5          1H5*        G   5   7.642  -0.644  -7.285
   47   2H5*    G   5          2H5*        G   5   7.528  -2.410  -7.254
   48    H4*    G   5           H4*        G   5   8.598  -1.472  -5.243
   49    H3*    G   5           H3*        G   5   5.941  -2.836  -4.708
   50    H2*    G   5           H2*        G   5   6.517  -2.568  -2.371
   51   2HO*    G   5          2HO*        G   5   8.840  -2.994  -2.868
   52    H1*    G   5           H1*        G   5   7.388   0.002  -2.643
   53    H8     G   5           H8         G   5   4.287  -0.675  -4.793
   54    H1     G   5           H1         G   5   3.069   0.905   1.331
   55   1H2     G   5          1H2         G   5   6.402   0.000   1.809
   56   2H2     G   5          2H2         G   5   4.902   0.529   2.568
   57   1H5*    C   6          1H5*        C   6   9.007  -4.608  -2.063
   58   2H5*    C   6          2H5*        C   6   8.597  -6.307  -1.789
   59    H4*    C   6           H4*        C   6   8.732  -4.958   0.316
   60    H3*    C   6           H3*        C   6   6.054  -6.159  -0.412
   61    H2*    C   6           H2*        C   6   5.326  -5.474   1.774
   62   2HO*    C   6          2HO*        C   6   6.886  -5.779   3.187
   63    H1*    C   6           H1*        C   6   6.520  -3.003   1.640
   64   1H4     C   6          1H4         C   6   0.765  -2.507  -1.623
   65   2H4     C   6          2H4         C   6   0.467  -2.014   0.036
   66    H5     C   6           H5         C   6   2.921  -3.471  -2.336
   67    H6     C   6           H6         C   6   5.156  -4.011  -1.620
   68   1H5*    G   7          1H5*        G   7   7.665  -7.614   3.510
   69   2H5*    G   7          2H5*        G   7   7.037  -9.227   3.893
   70    H4*    G   7           H4*        G   7   6.619  -7.468   5.656
   71    H3*    G   7           H3*        G   7   4.186  -8.765   4.389
   72    H2*    G   7           H2*        G   7   2.935  -7.634   6.099
   73   2HO*    G   7          2HO*        G   7   4.782  -8.130   7.654
   74    H1*    G   7           H1*        G   7   4.534  -5.331   6.019
   75    H8     G   7           H8         G   7   1.996  -4.676   6.231
   76    H1     G   7           H1         G   7   0.998  -5.989   0.023
   77   1H2     G   7          1H2         G   7   2.707  -7.237  -0.780
   78   2H2     G   7          2H2         G   7   4.027  -7.739   0.255
   79   1H5*    U   8          1H5*        U   8   3.616  -9.260   8.655
   80   2H5*    U   8          2H5*        U   8   2.763 -10.785   8.924
   81    H4*    U   8           H4*        U   8   1.505  -8.786   9.718
   82    H3*    U   8           H3*        U   8   0.252 -10.402   7.482
   83    H2*    U   8           H2*        U   8  -1.727  -9.042   7.874
   84   2HO*    U   8          2HO*        U   8  -1.244  -9.030  10.248
   85    H1*    U   8           H1*        U   8  -0.365  -6.713   7.996
   86    H3     U   8           H3         U   8  -2.597  -6.564   4.018
   87    H5     U   8           H5         U   8   0.538  -9.278   3.322
   88    H6     U   8           H6         U   8   1.116  -9.160   5.644
   89   1H5*    G   9          1H5*        G   9  -2.633 -10.163  10.819
   90   2H5*    G   9          2H5*        G   9  -3.293 -11.787  11.068
   91    H4*    G   9           H4*        G   9  -5.063 -10.127  10.861
   92    H3*    G   9           H3*        G   9  -4.897 -12.157   8.632
   93    H2*    G   9           H2*        G   9  -6.987 -11.210   7.812
   94   2HO*    G   9          2HO*        G   9  -7.608 -10.850  10.181
   95    H1*    G   9           H1*        G   9  -6.251  -8.665   8.034
   96    H8     G   9           H8         G   9  -3.027 -10.321   7.229
   97    H1     G   9           H1         G   9  -6.781  -9.405   2.094
   98   1H2     G   9          1H2         G   9  -9.288  -9.038   4.501
   99   2H2     G   9          2H2         G   9  -8.901  -9.164   2.781
  100   1H5*    C  10          1H5*        C  10  -9.001 -12.266   9.472
  101   2H5*    C  10          2H5*        C  10  -9.472 -13.966   9.642
  102    H4*    C  10           H4*        C  10 -10.770 -12.962   7.858
  103    H3*    C  10           H3*        C  10  -8.610 -14.833   6.812
  104    H2*    C  10           H2*        C  10  -9.641 -14.605   4.682
  105   2HO*    C  10          2HO*        C  10 -11.828 -14.589   5.758
  106    H1*    C  10           H1*        C  10 -10.020 -11.872   4.918
  107   1H4     C  10          1H4         C  10  -3.712 -13.049   3.143
  108   2H4     C  10          2H4         C  10  -4.664 -12.901   1.668
  109    H5     C  10           H5         C  10  -4.783 -13.045   5.377
  110    H6     C  10           H6         C  10  -6.884 -12.746   6.535
  111    H3T    C  10           H3T        C  10 -10.151 -15.832   8.140
  112   1H5*    G   1          1H5*        G   1  -6.755 -12.145  -8.881
  113   2H5*    G   1          2H5*        G   1  -7.395 -10.517  -9.153
  114    H4*    G   1           H4*        G   1  -9.049 -11.754  -7.933
  115    H3*    G   1           H3*        G   1  -7.565  -9.840  -6.104
  116    H2*    G   1           H2*        G   1  -9.180 -10.414  -4.436
  117   2HO*    G   1          2HO*        G   1 -10.914 -10.548  -6.134
  118    H1*    G   1           H1*        G   1  -9.065 -13.054  -4.889
  119    H8     G   1           H8         G   1  -5.543 -11.789  -5.366
  120    H1     G   1           H1         G   1  -7.258 -12.607   0.783
  121   1H2     G   1          1H2         G   1 -10.493 -12.624  -0.542
  122   2H2     G   1          2H2         G   1  -9.500 -12.635   0.916
  123    H5T    G   1           H5T        G   1  -6.068  -9.737  -7.540
  124   1H5*    C   2          1H5*        C   2 -11.580  -8.857  -5.388
  125   2H5*    C   2          2H5*        C   2 -11.726  -7.104  -5.189
  126    H4*    C   2           H4*        C   2 -12.488  -8.330  -3.188
  127    H3*    C   2           H3*        C   2  -9.993  -6.661  -2.816
  128    H2*    C   2           H2*        C   2 -10.228  -7.157  -0.454
  129   2HO*    C   2          2HO*        C   2 -12.628  -7.018  -0.641
  130    H1*    C   2           H1*        C   2 -10.783  -9.813  -0.836
  131   1H4     C   2          1H4         C   2  -4.200  -9.066  -1.346
  132   2H4     C   2          2H4         C   2  -4.584  -9.285   0.362
  133    H5     C   2           H5         C   2  -5.991  -8.826  -3.046
  134    H6     C   2           H6         C   2  -8.386  -8.863  -3.380
  135   1H5*    A   3          1H5*        A   3 -12.920  -5.379   0.123
  136   2H5*    A   3          2H5*        A   3 -12.770  -3.642   0.439
  137    H4*    A   3           H4*        A   3 -12.431  -5.147   2.454
  138    H3*    A   3           H3*        A   3 -10.214  -3.275   1.595
  139    H2*    A   3           H2*        A   3  -9.027  -3.982   3.566
  140   2HO*    A   3          2HO*        A   3 -11.100  -4.006   4.802
  141    H1*    A   3           H1*        A   3  -9.665  -6.654   3.308
  142    H8     A   3           H8         A   3  -8.820  -5.513  -0.178
  143   1H6     A   3          1H6         A   3  -2.947  -6.763   1.486
  144   2H6     A   3          2H6         A   3  -4.005  -6.390   0.123
  145    H2     A   3           H2         A   3  -5.348  -6.432   5.168
  146   1H5*    G   4          1H5*        G   4 -10.735  -2.187   5.783
  147   2H5*    G   4          2H5*        G   4 -10.452  -0.440   5.933
  148    H4*    G   4           H4*        G   4  -8.779  -1.808   7.186
  149    H3*    G   4           H3*        G   4  -7.719  -0.198   4.855
  150    H2*    G   4           H2*        G   4  -5.515  -0.921   5.501
  151   2HO*    G   4          2HO*        G   4  -5.512  -0.906   7.691
  152    H1*    G   4           H1*        G   4  -6.232  -3.530   5.852
  153    H8     G   4           H8         G   4  -8.094  -2.046   2.817
  154    H1     G   4           H1         G   4  -1.950  -3.648   1.755
  155   1H2     G   4          1H2         G   4  -1.911  -4.074   5.225
  156   2H2     G   4          2H2         G   4  -0.962  -4.115   3.749
  157   1H5*    G   5          1H5*        G   5  -5.636   0.536   8.864
  158   2H5*    G   5          2H5*        G   5  -5.041   2.203   8.909
  159    H4*    G   5           H4*        G   5  -3.329   0.449   9.502
  160    H3*    G   5           H3*        G   5  -2.773   2.243   7.124
  161    H2*    G   5           H2*        G   5  -0.550   1.259   7.152
  162   2HO*    G   5          2HO*        G   5  -0.590   1.184   9.564
  163    H1*    G   5           H1*        G   5  -1.446  -1.290   7.485
  164    H8     G   5           H8         G   5  -3.848   0.437   5.098
  165    H1     G   5           H1         G   5   1.554  -1.739   2.345
  166   1H2     G   5          1H2         G   5   2.760  -1.771   5.615
  167   2H2     G   5          2H2         G   5   3.121  -2.053   3.913
  168   1H5*    C   6          1H5*        C   6   0.601   2.479   9.927
  169   2H5*    C   6          2H5*        C   6   1.278   4.114   9.910
  170    H4*    C   6           H4*        C   6   2.945   2.346   9.328
  171    H3*    C   6           H3*        C   6   2.269   4.354   7.164
  172    H2*    C   6           H2*        C   6   4.147   3.400   5.963
  173   2HO*    C   6          2HO*        C   6   5.516   3.082   7.771
  174    H1*    C   6           H1*        C   6   3.416   0.816   6.495
  175   1H4     C   6          1H4         C   6  -0.655   2.537   1.586
  176   2H4     C   6          2H4         C   6   0.773   1.838   0.844
  177    H5     C   6           H5         C   6  -0.775   3.027   3.997
  178    H6     C   6           H6         C   6   0.388   2.825   6.093
  179   1H5*    G   7          1H5*        G   7   6.577   4.508   8.098
  180   2H5*    G   7          2H5*        G   7   7.243   6.116   7.768
  181    H4*    G   7           H4*        G   7   8.321   4.224   6.489
  182    H3*    G   7           H3*        G   7   6.949   6.365   4.826
  183    H2*    G   7           H2*        G   7   8.037   5.290   2.963
  184   2HO*    G   7          2HO*        G   7   9.993   4.921   4.413
  185    H1*    G   7           H1*        G   7   7.624   2.712   3.994
  186    H8     G   7           H8         G   7   7.165   2.877   1.379
  187    H1     G   7           H1         G   7   1.472   5.658   2.438
  188   1H2     G   7          1H2         G   7   1.370   6.408   4.574
  189   2H2     G   7          2H2         G   7   2.739   6.249   5.655
  190   1H5*    U   8          1H5*        U   8  10.975   6.090   3.311
  191   2H5*    U   8          2H5*        U   8  11.499   7.676   2.735
  192    H4*    U   8           H4*        U   8  11.469   5.909   0.968
  193    H3*    U   8           H3*        U   8   9.597   8.262   0.574
  194    H2*    U   8           H2*        U   8   9.316   7.363  -1.679
  195   2HO*    U   8          2HO*        U   8  11.630   6.659  -1.708
  196    H1*    U   8           H1*        U   8   8.959   4.824  -0.821
  197    H3     U   8           H3         U   8   4.841   6.283  -2.190
  198    H5     U   8           H5         U   8   5.395   8.100   1.562
  199    H6     U   8           H6         U   8   7.649   7.278   1.593
  200   1H5*    G   9          1H5*        G   9  12.236   7.922  -2.903
  201   2H5*    G   9          2H5*        G   9  12.793   9.540  -3.358
  202    H4*    G   9           H4*        G   9  11.837   8.334  -5.257
  203    H3*    G   9           H3*        G   9  10.301  10.773  -4.350
  204    H2*    G   9           H2*        G   9   8.960  10.459  -6.371
  205   2HO*    G   9          2HO*        G   9  11.010   9.655  -7.483
  206    H1*    G   9           H1*        G   9   8.573   7.855  -6.014
  207    H8     G   9           H8         G   9   8.785   9.042  -2.507
  208    H1     G   9           H1         G   9   3.089  10.225  -5.238
  209   1H2     G   9          1H2         G   9   4.845   9.671  -8.206
  210   2H2     G   9          2H2         G   9   3.324  10.179  -7.465
  211   1H5*    C  10          1H5*        C  10  10.574  11.455  -8.460
  212   2H5*    C  10          2H5*        C  10  11.099  13.128  -8.725
  213    H4*    C  10           H4*        C  10   8.947  12.767  -9.803
  214    H3*    C  10           H3*        C  10   8.793  14.496  -7.312
  215    H2*    C  10           H2*        C  10   6.523  14.928  -7.892
  216   2HO*    C  10          2HO*        C  10   7.245  14.887 -10.287
  217    H1*    C  10           H1*        C  10   5.956  12.314  -8.592
  218   1H4     C  10          1H4         C  10   5.668  12.872  -1.971
  219   2H4     C  10          2H4         C  10   4.076  13.277  -2.608
  220    H5     C  10           H5         C  10   7.597  12.468  -3.477
  221    H6     C  10           H6         C  10   8.249  12.229  -5.787
  222    H3T    C  10           H3T        C  10   9.033  16.131  -8.757