*HEADER    DNA, RNA                                11-DEC-00   1HOQ              
*TITLE     CHIMERIC RNA/DNA HAIRPIN                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-R(*GP*GP*AP*C)-D(P*TP*TP*CP*GP*GP*TP*CP*C)-3';          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SOLID PHASE SYNTHESIS, PHOSPHORAMIDITE                
*SOURCE   4 CHEMISTRY                                                            
*KEYWDS    HAIRPIN, DNA, RNA                                                     
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    A.Y.DENISOV, K.GEHRING                                                
*REVDAT   1   07-NOV-01 1HOQ    0                                                
! RNA_DNAloop_DNA-hairpin constraints (for X-PLOR program)
!-----------------------------------------------------------------
!DISTANCE NOE-constraints 
!-----------------------------------------------------------------
!intrasugar (79)
!----------------------------------------------------------------- 

!H1'-H2'
assign (resid 2 and name h1') (resid 2 and name h2') 2.7 0.3 0.5 
assign (resid 3 and name h1') (resid 3 and name h2') 2.8 0.3 0.5 
assign (resid 4 and name h1') (resid 4 and name h2') 2.8 0.3 0.5 
assign (resid 5 and name h1') (resid 5 and name h2') 2.7 0.3 0.5 
assign (resid 6 and name h1') (resid 6 and name h2') 2.8 0.3 0.5 
assign (resid 7 and name h1') (resid 7 and name h2') 2.8 0.3 0.5 
assign (resid 8 and name h1') (resid 8 and name h2') 2.8 0.3 0.5
assign (resid 9 and name h1') (resid 9 and name h2') 2.8 0.3 0.5
assign (resid 10 and name h1') (resid 10 and name h2') 2.7 0.3 0.5
assign (resid 11 and name h1') (resid 11 and name h2') 2.8 0.3 0.5
assign (resid 12 and name h1') (resid 12 and name h2') 2.8 0.3 0.5

!H1'-H2" 
assign (resid 5 and name h1') (resid 5 and name h2'') 2.4 0.2 0.2
assign (resid 6 and name h1') (resid 6 and name h2'') 2.4 0.2 0.2
assign (resid 7 and name h1') (resid 7 and name h2'') 2.4 0.2 0.2
assign (resid 8 and name h1') (resid 8 and name h2'') 2.5 0.2 0.2
assign (resid 9 and name h1') (resid 9 and name h2'') 2.4 0.2 0.2
assign (resid 10 and name h1') (resid 10 and name h2'') 2.3 0.2 0.2
assign (resid 11 and name h1') (resid 11 and name h2'') 2.4 0.2 0.2
assign (resid 12 and name h1') (resid 12 and name h2'') 2.2 0.2 0.2

!H1'-H3' 
assign (resid 1 and name h1') (resid 1 and name h3') 3.9 0.5 0.7 
assign (resid 2 and name h1') (resid 2 and name h3') 3.4 0.5 0.7
assign (resid 3 and name h1') (resid 3 and name h3') 3.7 0.5 0.7
assign (resid 5 and name h1') (resid 5 and name h3') 3.7 0.5 0.7 
assign (resid 6 and name h1') (resid 6 and name h3') 3.7 0.5 0.7 
assign (resid 7 and name h1') (resid 7 and name h3') 3.5 0.5 0.7 
assign (resid 8 and name h1') (resid 8 and name h3') 3.7 0.5 0.7 
assign (resid 11 and name h1') (resid 11 and name h3') 3.7 0.5 0.7 
assign (resid 12 and name h1') (resid 12 and name h3') 3.7 0.5 0.7

!H1'-H4'  
assign (resid 1 and name h1') (resid 1 and name h4') 3.4 0.3 0.5 
assign (resid 2 and name h1') (resid 2 and name h4') 3.3 0.3 0.5 
assign (resid 3 and name h1') (resid 3 and name h4') 3.3 0.3 0.5 
assign (resid 4 and name h1') (resid 4 and name h4') 3.3 0.3 0.5 
assign (resid 5 and name h1') (resid 5 and name h4') 3.1 0.3 0.5 
assign (resid 6 and name h1') (resid 6 and name h4') 3.2 0.3 0.5 
assign (resid 7 and name h1') (resid 7 and name h4') 3.2 0.3 0.5 
assign (resid 8 and name h1') (resid 8 and name h4') 3.2 0.3 0.5 
assign (resid 10 and name h1') (resid 10 and name h4') 2.8 0.3 0.3 
assign (resid 11 and name h1') (resid 11 and name h4') 2.8 0.3 0.3
assign (resid 12 and name h1') (resid 12 and name h4') 2.9 0.3 0.3

!H2'-H3'  
assign (resid 1 and name h2') (resid 1 and name h3') 2.6 0.3 0.5
assign (resid 3 and name h2') (resid 3 and name h3') 2.8 0.3 0.5 
assign (resid 5 and name h2') (resid 5 and name h3') 2.6 0.3 0.5
assign (resid 6 and name h2') (resid 6 and name h3') 2.7 0.3 0.5
assign (resid 7 and name h2') (resid 7 and name h3') 2.4 0.2 0.2 
assign (resid 8 and name h2') (resid 8 and name h3') 2.5 0.2 0.2
assign (resid 9 and name h2') (resid 9 and name h3') 2.7 0.3 0.5
assign (resid 11 and name h2') (resid 11 and name h3') 2.7 0.3 0.5 
assign (resid 12 and name h2') (resid 12 and name h3') 2.6 0.3 0.5


!H2''-H3'  
assign (resid 5 and name h2'') (resid 5 and name h3') 2.9 0.3 0.5
assign (resid 6 and name h2'') (resid 6 and name h3') 2.9 0.3 0.5
assign (resid 7 and name h2'') (resid 7 and name h3') 2.7 0.3 0.5
assign (resid 8 and name h2'') (resid 8 and name h3') 2.9 0.3 0.5
assign (resid 9 and name h2'') (resid 9 and name h3') 2.7 0.3 0.5
assign (resid 11 and name h2'') (resid 11 and name h3') 3.2 0.3 0.5 
assign (resid 12 and name h2'') (resid 12 and name h3') 2.7 0.3 0.5

!H2'-H4' 
assign (resid 5 and name h2') (resid 5 and name h4') 3.4 0.5 0.7
assign (resid 9 and name h2') (resid 9 and name h4') 3.4 0.5 0.7
assign (resid 10 and name h2') (resid 10 and name h4') 3.2 0.5 0.7
assign (resid 11 and name h2') (resid 11 and name h4') 3.3 0.5 0.7
assign (resid 12 and name h2') (resid 12 and name h4') 3.2 0.5 0.7

!H2''-H4' 
assign (resid 5 and name h2'') (resid 5 and name h4') 2.9 0.3 0.5 
assign (resid 6 and name h2'') (resid 6 and name h4') 3.4 0.5 0.7
assign (resid 7 and name h2'') (resid 7 and name h4') 3.4 0.5 0.7
assign (resid 8 and name h2'') (resid 8 and name h4') 3.2 0.5 0.7
assign (resid 9 and name h2'') (resid 9 and name h4') 3.0 0.3 0.3
assign (resid 10 and name h2'') (resid 10 and name h4') 2.8 0.3 0.3
assign (resid 11 and name h2'') (resid 11 and name h4') 2.8 0.3 0.3
assign (resid 12 and name h2'') (resid 12 and name h4') 2.9 0.3 0.3

!H3'-H4' 
assign (resid 1 and name h3') (resid 1 and name h4') 2.8 0.3 0.5
assign (resid 3 and name h3') (resid 3 and name h4') 2.6 0.3 0.5
assign (resid 5 and name h3') (resid 5 and name h4') 2.6 0.3 0.5
assign (resid 6 and name h3') (resid 6 and name h4') 2.7 0.3 0.5
assign (resid 7 and name h3') (resid 7 and name h4') 2.8 0.3 0.5
assign (resid 8 and name h3') (resid 8 and name h4') 2.9 0.3 0.5
assign (resid 9 and name h3') (resid 9 and name h4') 2.9 0.5 0.7
assign (resid 11 and name h3') (resid 11 and name h4') 2.6 0.3 0.5
assign (resid 12 and name h3') (resid 12 and name h4') 2.6 0.3 0.5



!-------------------------------------------------------------------
!intraresidual base-to-sugar (43-4) 
!-------------------------------------------------------------------

!H1'-H6/H8 
assign (resid 1 and name h1') (resid 1 and name h8) 3.8 0.5 0.7
assign (resid 2 and name h1') (resid 2 and name h8) 3.8 0.5 0.7
assign (resid 3 and name h1') (resid 3 and name h8) 3.9 0.5 0.7
assign (resid 4 and name h1') (resid 4 and name h6) 3.8 0.5 0.7
assign (resid 5 and name h1') (resid 5 and name h6) 3.4 0.5 1.0
assign (resid 6 and name h1') (resid 6 and name h6) 3.5 1.5 1.5    !*(loop)
assign (resid 7 and name h1') (resid 7 and name h6) 3.5 1.5 1.5    !*(loop)
!assign (resid 8 and name h1') (resid 8 and name h8) 2.5 0.7 0.7    !*
assign (resid 9 and name h1') (resid 9 and name h8) 3.4 0.5 0.7
assign (resid 10 and name h1') (resid 10 and name h6) 3.3 0.5 0.7
assign (resid 11 and name h1') (resid 11 and name h6) 3.3 0.5 0.7
assign (resid 12 and name h1') (resid 12 and name h6) 3.2 0.5 0.7

!H2'-H6/H8 
assign (resid 1 and name h2') (resid 1 and name h8) 3.6 0.3 0.5
assign (resid 2 and name h2') (resid 2 and name h8) 3.3 0.3 0.5
assign (resid 3 and name h2') (resid 3 and name h8) 3.7 0.3 0.5 
assign (resid 4 and name h2') (resid 4 and name h6) 3.0 0.3 0.5 
assign (resid 5 and name h2') (resid 5 and name h6) 2.8 0.3 0.7 
assign (resid 6 and name h2') (resid 6 and name h6) 2.5 0.7 0.7    !*
assign (resid 7 and name h2') (resid 7 and name h6) 2.5 0.7 0.7    !*
!assign (resid 8 and name h2') (resid 8 and name h8) 2.5 0.7 0.7    !*
assign (resid 9 and name h2') (resid 9 and name h8) 2.7 0.5 0.5
assign (resid 10 and name h2') (resid 10 and name h6) 2.5 0.3 0.5
assign (resid 11 and name h2') (resid 11 and name h6) 2.6 0.3 0.5 
assign (resid 12 and name h2') (resid 12 and name h6) 2.5 0.3 0.5 

!H2''-H6/H8 
assign (resid 5 and name h2'') (resid 5 and name h6) 3.0 0.5 1.0 
assign (resid 6 and name h2'') (resid 6 and name h6) 3.5 1.5 1.5   !*
assign (resid 7 and name h2'') (resid 7 and name h6) 3.5 1.5 1.5   !*
!assign (resid 8 and name h2'') (resid 8 and name h8) 3.5 1.5 1.5   !*
assign (resid 9 and name h2'') (resid 9 and name h8) 3.2 0.5 1.0
assign (resid 10 and name h2'') (resid 10 and name h6) 3.0 0.5 1.0
assign (resid 11 and name h2'') (resid 11 and name h6) 3.1 0.5 1.0 
assign (resid 12 and name h2'') (resid 12 and name h6) 3.3 0.5 1.0 

!H3'-H6/H8
assign (resid 1 and name h3') (resid 1 and name h8) 3.1 0.3 0.5 
assign (resid 2 and name h3') (resid 2 and name h8) 3.1 0.3 0.5  
assign (resid 3 and name h3') (resid 3 and name h8) 2.7 0.3 0.5 
assign (resid 4 and name h3') (resid 4 and name h6) 2.8 0.3 0.5 
assign (resid 5 and name h3') (resid 5 and name h6) 2.7 0.3 1.0 
assign (resid 6 and name h3') (resid 6 and name h6) 5.0 2.0 2.0    !*
assign (resid 7 and name h3') (resid 7 and name h6) 5.0 2.0 2.0    !* 
!assign (resid 8 and name h3') (resid 8 and name h8) 5.0 2.0 2.0    !*
assign (resid 9 and name h3') (resid 9 and name h8) 3.4 0.5 0.7 
assign (resid 11 and name h3') (resid 11 and name h6) 3.0 0.3 0.5 
assign (resid 12 and name h3') (resid 12 and name h6) 3.0 0.3 0.5 


!------------------------------------------------------------------------
!sequential interresidual (56)
!------------------------------------------------------------------------

!H1'-H6/H8 
assign (resid 1 and name h1') (resid 2 and name h8) 4.2 0.5 0.7
assign (resid 2 and name h1') (resid 3 and name h8) 3.9 0.5 0.7
assign (resid 3 and name h1') (resid 4 and name h6) 4.2 0.5 0.7
assign (resid 4 and name h1') (resid 5 and name h6) 4.4 0.5 1.5
assign (resid 5 and name h1') (resid 6 and name h6) 4.2 0.5 1.5
assign (resid 8 and name h1') (resid 9 and name h8) 5.0 2.0 2.0     !*
assign (resid 9 and name h1') (resid 10 and name h6) 3.6 0.5 0.7
assign (resid 10 and name h1') (resid 11 and name h6) 3.6 0.5 0.7
assign (resid 11 and name h1') (resid 12 and name h6) 3.4 0.5 0.7

!H2'-H6/H8 
assign (resid 1 and name h2') (resid 2 and name h8) 2.7 0.3 0.5 
assign (resid 2 and name h2') (resid 3 and name h8) 2.5 0.3 0.5
assign (resid 3 and name h2') (resid 4 and name h6) 2.6 0.3 0.5
assign (resid 4 and name h2') (resid 5 and name h6) 2.7 0.5 1.0
assign (resid 5 and name h2') (resid 6 and name h6) 3.5 1.5 1.5     !*
assign (resid 8 and name h2') (resid 9 and name h8) 5.0 2.0 2.0     !*
assign (resid 9 and name h2') (resid 10 and name h6) 2.9 0.3 0.5
assign (resid 10 and name h2') (resid 11 and name h6) 2.8 0.3 0.5
assign (resid 11 and name h2') (resid 12 and name h6) 2.6 0.3 0.5


!H2''-H6/H8 
assign (resid 5 and name h2'') (resid 6 and name h6) 3.5 1.5 1.5    !*
assign (resid 8 and name h2'') (resid 9 and name h8) 3.5 1.5 1.5    !*
assign (resid 9 and name h2'') (resid 10 and name h6) 2.9 0.3 0.5
assign (resid 10 and name h2'') (resid 11 and name h6) 2.8 0.3 0.5
assign (resid 11 and name h2'') (resid 12 and name h6) 2.7 0.3 0.5

!H3'-H6/H8 
assign (resid 1 and name h3') (resid 2 and name h8) 3.2 0.5 0.7
assign (resid 2 and name h3') (resid 3 and name h8) 3.0 0.5 0.7
assign (resid 3 and name h3') (resid 4 and name h6) 3.1 0.5 0.7
assign (resid 4 and name h3') (resid 5 and name h6) 3.0 0.5 1.0

!other 
assign (resid 2 and name h2') (resid 3 and name h1') 3.6 0.5 0.7

assign (resid 3 and name h2) (resid 4 and name h1') 3.5 0.3 0.5
assign (resid 3 and name h8) (resid 4 and name h5) 4.2 0.5 0.7
assign (resid 3 and name h2') (resid 4 and name h5) 3.8 0.5 0.7
assign (resid 3 and name h2') (resid 4 and name h1') 3.8 0.5 0.7

assign (resid 4 and name h5) (resid 5 and (name h5#)) 3.4 0.5 1.0
assign (resid 4 and name h6) (resid 5 and (name h5#)) 3.5 0.5 1.0
assign (resid 4 and name h2') (resid 5 and (name h5#)) 3.8 0.5 1.0
assign (resid 4 and name h3') (resid 5 and (name h5#)) 3.1 0.5 1.0

assign (resid 5 and name h6) (resid 6 and (name h5#)) 5.0 2.0 2.0    !*
assign (resid 5 and name h2') (resid 6 and (name h5#)) 3.5 1.5 1.5   !*
assign (resid 5 and name h3') (resid 6 and (name h5#)) 3.5 1.5 1.5   !*
assign (resid 5 and name h4') (resid 6 and (name h5#)) 5.0 2.0 2.0   !*

assign (resid 5 and name h2') (resid 7 and name h5) 5.0 2.0 2.0      !*

assign (resid 6 and name h2') (resid 7 and name h5) 5.0 2.0 2.0      !*
assign (resid 6 and name h3') (resid 7 and name h5) 5.0 2.0 2.0      !*

assign (resid 7 and name h4') (resid 8 and name c5') 4.0 2.0 2.0     !*
assign (resid 7 and name h4') (resid 8 and name h8) 5.0 2.0 2.0      !*

assign (resid 8 and name h1') (resid 9 and name h4') 4.5 1.5 1.5     !*
assign (resid 8 and name h2') (resid 9 and name h4') 5.0 2.0 2.0     !*

assign (resid 9 and name h8) (resid 10 and (name h5#)) 3.5 0.5 0.7    
assign (resid 9 and name h2') (resid 10 and (name h5#)) 3.4 0.5 0.7   
assign (resid 9 and name h2'') (resid 10 and (name h5#)) 3.6 0.5 0.7
assign (resid 9 and name h3') (resid 10 and (name h5#)) 3.2 0.5 1.0

assign (resid 10 and name h6) (resid 11 and name h5) 3.9 0.5 0.7    
assign (resid 10 and name h2') (resid 11 and name h5) 3.4 0.5 0.7   
assign (resid 10 and name h2'') (resid 11 and name h5) 3.5 0.5 0.7
assign (resid 10 and (name h5#)) (resid 11 and name h5) 3.5 0.5 0.7

assign (resid 11 and name h6) (resid 12 and name h5) 3.8 0.5 0.7
assign (resid 11 and name h2') (resid 12 and name h5) 3.4 0.5 0.7
assign (resid 11 and name h2'') (resid 12 and name h5) 3.3 0.5 0.7



!--------------------------------------------------------------------
!long-range interresidual (1)
!-------------------------------------------------------------------- 

assign (resid 3 and name h2) (resid 11 and name h1') 3.7 0.5 0.7  

!---------------------------------------------------------------------
!repulsions 
!---------------------------------------------------------------------
!H1'-H5'/5''
assign (resid 1 and name h1') (resid 2 and name h5') 4.5 0.5 99.0
assign (resid 1 and name h1') (resid 2 and name h5'') 4.5 0.5 99.0
assign (resid 2 and name h1') (resid 3 and name h5') 4.5 0.5 99.0
assign (resid 2 and name h1') (resid 3 and name h5'') 4.5 0.5 99.0
assign (resid 3 and name h1') (resid 4 and name h5') 4.5 0.5 99.0
assign (resid 3 and name h1') (resid 4 and name h5'') 4.5 0.5 99.0
assign (resid 4 and name h1') (resid 5 and name h5') 4.5 0.5 99.0
assign (resid 4 and name h1') (resid 5 and name h5'') 4.5 0.5 99.0
assign (resid 5 and name h1') (resid 6 and name h5') 3.0 0.5 99.0    !*
assign (resid 5 and name h1') (resid 6 and name h5'') 3.0 0.5 99.0   !*
assign (resid 6 and name h1') (resid 7 and name h5') 4.0 0.5 99.0    !*
assign (resid 6 and name h1') (resid 7 and name h5'') 4.0 0.5 99.0   !*
assign (resid 7 and name h1') (resid 8 and name h5') 4.0 0.5 99.0    !*
assign (resid 7 and name h1') (resid 8 and name h5'') 4.0 0.5 99.0   !*
assign (resid 8 and name h1') (resid 9 and name h5') 4.0 0.5 99.0    !*
assign (resid 8 and name h1') (resid 9 and name h5'') 4.0 0.5 99.0   !*
assign (resid 9 and name h1') (resid 10 and name h5') 4.0 0.5 99.0
assign (resid 9 and name h1') (resid 10 and name h5'') 4.0 0.5 99.0
assign (resid 10 and name h1') (resid 11 and name h5') 4.0 0.5 99.0
assign (resid 10 and name h1') (resid 11 and name h5'') 4.0 0.5 99.0
assign (resid 11 and name h1') (resid 12 and name h5') 4.5 0.5 99.0
assign (resid 11 and name h1') (resid 12 and name h5'') 4.5 0.5 99.0

!base-base
assign (resid 5 and (name h5#)) (resid 6 and (name h5#)) 4.5 0.5 99.0 !*
assign (resid 5 and name h6) (resid 6 and name h6) 4.5 0.5 99.0       !*
assign (resid 6 and name h6) (resid 7 and name h6) 4.5 0.5 99.0       !*
assign (resid 7 and name h6) (resid 8 and name h8) 4.5 0.5 99.0       !*
assign (resid 8 and name h8) (resid 9 and name h8) 4.5 0.5 99.0       !*

!other

assign (resid 5 and name h2'') (resid 6 and (name h5#)) 4.0 0.5 99.0  !*
assign (resid 5 and name h5') (resid 6 and (name h5#)) 3.5 0.5 99.0   !*
assign (resid 5 and name h5'') (resid 6 and (name h5#)) 3.5 0.5 99.0  !*
assign (resid 5 and name h1') (resid 6 and (name h5#)) 3.5 0.5 99.0   !*
assign (resid 5 and name h3') (resid 6 and name h6) 3.0 0.5 99.0      !*
assign (resid 5 and name h4') (resid 6 and name h5') 4.0 0.5 99.0     !*
assign (resid 5 and name h4') (resid 6 and name h5'') 4.0 0.5 99.0    !*
assign (resid 5 and name h2') (resid 6 and name h5') 3.5 0.5 99.0     !*
assign (resid 5 and name h2'') (resid 6 and name h5') 3.0 0.5 99.0    !*
assign (resid 5 and name h2') (resid 6 and name h5'') 3.5 0.5 99.0    !*
assign (resid 5 and name h2'') (resid 6 and name h5'') 3.0 0.5 99.0   !*

assign (resid 5 and name h2'') (resid 7 and name h5) 3.5 0.5 99.0     !*
assign (resid 5 and name h3') (resid 7 and name h5) 4.0 0.5 99.0      !*
assign (resid 5 and (name h5#)) (resid 7 and name h5) 4.5 0.5 99.0    !*
assign (resid 5 and (name h5#)) (resid 7 and name h6) 4.5 0.5 99.0    !*
assign (resid 5 and (name h5#)) (resid 7 and name h1') 4.5 0.5 99.0   !*
assign (resid 5 and name h2') (resid 7 and name h1') 4.5 0.5 99.0     !*
assign (resid 5 and (name h5#)) (resid 7 and name h2') 5.0 0.5 99.0   !*
assign (resid 5 and (name h5#)) (resid 7 and name h2'') 5.0 0.5 99.0  !*

assign (resid 6 and name h1') (resid 7 and name h5) 4.0 0.5 99.0      !*
assign (resid 6 and name h2'') (resid 7 and name h5) 3.5 0.5 99.0     !*
assign (resid 6 and name h4') (resid 7 and name h5) 4.0 0.5 99.0      !*
assign (resid 6 and name h5') (resid 7 and name h5) 4.0 0.5 99.0      !*
assign (resid 6 and name h5'') (resid 7 and name h5) 4.0 0.5 99.0     !*
assign (resid 6 and (name h5#)) (resid 7 and name h5) 4.5 0.5 99.0    !*
assign (resid 6 and name h2'') (resid 7 and name h6) 3.0 0.5 99.0     !*
assign (resid 6 and name h3') (resid 7 and name h6) 3.5 0.5 99.0      !*
assign (resid 6 and name h4') (resid 7 and name h6) 3.5 0.5 99.0      !*
assign (resid 6 and name h5') (resid 7 and name h6) 3.5 0.5 99.0      !*
assign (resid 6 and name h5'') (resid 7 and name h6) 3.5 0.5 99.0     !*
assign (resid 6 and name h5') (resid 7 and name h5') 4.0 0.5 99.0     !*
assign (resid 6 and name h5'') (resid 7 and name h5') 4.0 0.5 99.0    !*
assign (resid 6 and name h5') (resid 7 and name h5'') 4.0 0.5 99.0    !*
assign (resid 6 and name h5'') (resid 7 and name h5'') 4.0 0.5 99.0   !*
assign (resid 6 and name h4') (resid 7 and name h5') 4.0 0.5 99.0     !*
assign (resid 6 and name h4') (resid 7 and name h5'') 4.0 0.5 99.0    !*
assign (resid 6 and name h4') (resid 7 and name h2') 4.0 0.5 99.0     !*
assign (resid 6 and name h5') (resid 7 and name h2') 4.0 0.5 99.0     !*
assign (resid 6 and name h5'') (resid 7 and name h2') 4.0 0.5 99.0    !*

assign (resid 6 and name h1') (resid 8 and name h8) 4.5 0.5 99.0      !*
assign (resid 6 and name h4') (resid 8 and name h8) 4.5 0.5 99.0      !*
assign (resid 6 and name h5') (resid 8 and name h8) 4.5 0.5 99.0      !*
assign (resid 6 and name h5'') (resid 8 and name h8) 4.5 0.5 99.0     !*

assign (resid 7 and name h1') (resid 8 and name h8) 4.0 0.5 99.0      !*
assign (resid 7 and name h2') (resid 8 and name h8) 4.5 0.5 99.0      !*
assign (resid 7 and name h2'') (resid 8 and name h8) 4.5 0.5 99.0     !*
assign (resid 7 and name h3') (resid 8 and name h8) 4.0 0.5 99.0      !*
assign (resid 7 and name h5') (resid 8 and name h8) 4.5 0.5 99.0      !*
assign (resid 7 and name h5'') (resid 8 and name h8) 4.5 0.5 99.0     !*
assign (resid 7 and name h1') (resid 8 and name h1') 4.0 0.5 99.0     !*
assign (resid 7 and name h2') (resid 8 and name h2') 4.5 0.5 99.0     !*
assign (resid 7 and name h2'') (resid 8 and name h2') 4.5 0.5 99.0    !*
assign (resid 7 and name h4') (resid 8 and name h2') 4.5 0.5 99.0     !*
assign (resid 7 and name h4') (resid 8 and name h2'') 4.5 0.5 99.0    !*
assign (resid 7 and name h4') (resid 8 and name h3') 4.0 0.5 99.0     !*
assign (resid 7 and name h5') (resid 8 and name h3') 4.5 0.5 99.0     !*
assign (resid 7 and name h5'') (resid 8 and name h3') 4.5 0.5 99.0    !*
assign (resid 7 and name h2') (resid 8 and name h4') 4.5 0.5 99.0     !*
assign (resid 7 and name h5') (resid 8 and name h4') 4.0 0.5 99.0     !*
assign (resid 7 and name h5'') (resid 8 and name h4') 4.0 0.5 99.0    !*
assign (resid 7 and name h2'') (resid 8 and name h4') 4.5 0.5 99.0    !*
assign (resid 7 and name h3') (resid 8 and name h5') 4.0 0.5 99.0     !*
assign (resid 7 and name h3') (resid 8 and name h5'') 4.0 0.5 99.0    !*
assign (resid 7 and name h4') (resid 8 and name h5') 3.5 0.5 99.0     !*
assign (resid 7 and name h4') (resid 8 and name h5'') 3.5 0.5 99.0    !*
assign (resid 7 and name h4') (resid 8 and name h4') 4.0 0.5 99.0     !*
assign (resid 7 and name h2') (resid 8 and name h5') 4.0 0.5 99.0     !*
assign (resid 7 and name h2') (resid 8 and name h5'') 4.0 0.5 99.0    !*
assign (resid 7 and name h2'') (resid 8 and name h5') 4.0 0.5 99.0    !*
assign (resid 7 and name h2'') (resid 8 and name h5'') 4.0 0.5 99.0   !*

assign (resid 8 and name h1') (resid 9 and name h1') 4.0 0.5 99.0     !*
assign (resid 8 and name h8) (resid 9 and name h1') 4.0 0.5 99.0      !*
assign (resid 8 and name h2') (resid 9 and name h5') 4.0 0.5 99.0     !*
assign (resid 8 and name h2') (resid 9 and name h5'') 4.0 0.5 99.0    !*
assign (resid 8 and name h2'') (resid 9 and name h5') 4.0 0.5 99.0    !*
assign (resid 8 and name h2'') (resid 9 and name h5'') 4.0 0.5 99.0   !*
assign (resid 8 and name h3') (resid 9 and name h5') 4.0 0.5 99.0     !*
assign (resid 8 and name h3') (resid 9 and name h5'') 4.0 0.5 99.0    !*
assign (resid 8 and name h4') (resid 9 and name h5') 3.5 0.5 99.0     !*
assign (resid 8 and name h4') (resid 9 and name h5'') 3.5 0.5 99.0    !*
assign (resid 8 and name h2'') (resid 9 and name h1') 4.0 0.5 99.0    !*
assign (resid 8 and name h2'') (resid 9 and name h4') 3.5 0.5 99.0    !*

assign (resid 8 and name h2'') (resid 10 and (name h5#)) 4.5 0.5 99.0    !*
assign (resid 8 and name h1') (resid 10 and (name h5#)) 4.5 0.5 99.0     !*
assign (resid 8 and name h8) (resid 10 and (name h5#)) 4.5 0.5 99.0     !*


!intra
assign (resid 8 and name h5') (resid 8 and name h8) 4.0 0.5 99.0
assign (resid 8 and name h5'') (resid 8 and name h8) 4.0 0.5 99.0

assign (resid 3 and name h2) (resid 3 and name h1') 4.0 0.5 99.0 


!no hydrogen bonds
assign (resid 5 and name O2) (resid 8 and name h1) 3.0 1.0 99.0
assign (resid 6 and name O4') (resid 8 and name h1) 3.0 1.0 99.0
assign (resid 6 and name O2) (resid 8 and name h1) 3.0 1.0 99.0
assign (resid 8 and name N7) (resid 5 and name h3) 3.0 1.0 99.0
assign (resid 8 and name O6) (resid 5 and name h3) 3.0 1.0 99.0

!--------------------------------------------------------------------
!TORSION ANGLE CONSTRAINTS
!--------------------------------------------------------------------

!torsion restraints on beta
assign  (resid  2 and name   p ) (resid  2 and name  o5')
        (resid  2 and name  c5') (resid  2 and name  c4') 1.0 180.0 45.0 2
assign  (resid  3 and name   p ) (resid  3 and name  o5')
        (resid  3 and name  c5') (resid  3 and name  c4') 1.0 180.0 60.0 2
assign  (resid  4 and name   p ) (resid  4 and name  o5')
        (resid  4 and name  c5') (resid  4 and name  c4') 1.0 180.0 60.0 2

assign  (resid  5 and name   p ) (resid  5 and name  o5')
        (resid  5 and name  c5') (resid  5 and name  c4') 1.0 180.0 45.0 2
assign  (resid  6 and name   p ) (resid  6 and name  o5')
        (resid  6 and name  c5') (resid  6 and name  c4') 1.0 180.0 60.0 2
assign  (resid  7 and name   p ) (resid  7 and name  o5')
        (resid  7 and name  c5') (resid  7 and name  c4') 1.0 180.0 60.0 2
assign  (resid  8 and name   p ) (resid  8 and name  o5')
        (resid  8 and name  c5') (resid  8 and name  c4') 1.0 180.0 60.0 2

!assign  (resid  9 and name   p ) (resid  9 and name  o5')                 
!       (resid  9 and name  c5') (resid  9 and name  c4') 
assign  (resid 10 and name   p ) (resid 10 and name  o5')
        (resid 10 and name  c5') (resid 10 and name  c4') 1.0 180.0 45.0 2
assign  (resid 11 and name   p ) (resid 11 and name  o5')
        (resid 11 and name  c5') (resid 11 and name  c4') 1.0 180.0 45.0 2
assign  (resid 12 and name   p ) (resid 12 and name  o5')
        (resid 12 and name  c5') (resid 12 and name  c4') 1.0 180.0 45.0 2

!torsion constraints on gamma
assign (resid 1 and name o5') (resid 1 and name c5')
       (resid 1 and name c4') (resid 1 and name c3')   1.0 60.0 40.0 2
assign (resid 2 and name o5') (resid 2 and name c5')
       (resid 2 and name c4') (resid 2 and name c3')   1.0 60.0 20.0 2
assign (resid 3 and name o5') (resid 3 and name c5')
       (resid 3 and name c4') (resid 3 and name c3')   1.0 60.0 40.0 2
assign (resid 4 and name o5') (resid 4 and name c5')
       (resid 4 and name c4') (resid 4 and name c3')   1.0 60.0 20.0 2

assign (resid 5 and name o5') (resid 5 and name c5')
       (resid 5 and name c4') (resid 5 and name c3')   1.0 60.0 20.0 2
assign (resid 6 and name o5') (resid 6 and name c5')
       (resid 6 and name c4') (resid 6 and name c3')   1.0 60.0 40.0 2
assign (resid 7 and name o5') (resid 7 and name c5')
       (resid 7 and name c4') (resid 7 and name c3')   1.0 60.0 40.0 2 
!assign (resid 8 and name o5') (resid 8 and name c5')
!       (resid 8 and name c4') (resid 8 and name c3')   

assign (resid 9 and name o5') (resid 9 and name c5')
       (resid 9 and name c4') (resid 9 and name c3')   1.0 60.0 40.0 2       
assign (resid 10 and name o5') (resid 10 and name c5')
       (resid 10 and name c4') (resid 10 and name c3')   1.0 60.0 20.0 2
assign (resid 11 and name o5') (resid 11 and name c5')
       (resid 11 and name c4') (resid 11 and name c3')   1.0 60.0 30.0 2
assign (resid 12 and name o5') (resid 12 and name c5')
       (resid 12 and name c4') (resid 12 and name c3')   1.0 60.0 20.0 2

!torsion restraints on epsilon
assign  (resid  1 and name  c4') (resid  1 and name  c3')
        (resid  1 and name  o3') (resid  2 and name   p ) 1.0 240.0 50.0 2
assign  (resid  2 and name  c4') (resid  2 and name  c3')
        (resid  2 and name  o3') (resid  3 and name   p ) 1.0 240.0 50.0 2
assign  (resid  3 and name  c4') (resid  3 and name  c3')
        (resid  3 and name  o3') (resid  4 and name   p ) 1.0 240.0 50.0 2
assign  (resid  4 and name  c4') (resid  4 and name  c3')
        (resid  4 and name  o3') (resid  5 and name   p ) 1.0 240.0 50.0 2

assign  (resid  5 and name  c4') (resid  5 and name  c3')
        (resid  5 and name  o3') (resid  6 and name   p ) 1.0 240.0 100.0 2
assign  (resid  6 and name  c4') (resid  6 and name  c3')
        (resid  6 and name  o3') (resid  7 and name   p ) 1.0 240.0 100.0 2
assign  (resid  7 and name  c4') (resid  7 and name  c3')
        (resid  7 and name  o3') (resid  8 and name   p ) 1.0 240.0 100.0 2
assign  (resid  8 and name  c4') (resid  8 and name  c3')
        (resid  8 and name  o3') (resid  9 and name   p ) 1.0 240.0 100.0 2

assign  (resid  9 and name  c4') (resid  9 and name  c3')
        (resid  9 and name  o3') (resid 10 and name   p ) 1.0 170.0 50.0 2
assign  (resid 10 and name  c4') (resid 10 and name  c3')
        (resid 10 and name  o3') (resid 11 and name   p ) 1.0 170.0 50.0 2
assign  (resid 11 and name  c4') (resid 11 and name  c3')
        (resid 11 and name  o3') (resid 12 and name   p ) 1.0 170.0 50.0 2


!constraints for sugar v0, v1, v2, v3 and v4 torsion angles 
!Calculated from this formula: vj = vmax*cos(P+(j-2)*144), 
!where j=0,1,2,3,4 and P is the pseudorotational angle and vmax=37
!P are 20, 20, 20, 20, 20, 150, 150, 150, -, -, -, -, respectively

!v0
assign (resid 1 and name c4') (resid 1 and name o4')   
       (resid 1 and name c1') (resid 1 and name c2')   2.0 -1.3 10.0 2
assign (resid 2 and name c4') (resid 2 and name o4')
       (resid 2 and name c1') (resid 2 and name c2')   2.0 -1.3 10.0 2
assign (resid 3 and name c4') (resid 3 and name o4')
       (resid 3 and name c1') (resid 3 and name c2')   2.0 -1.3 10.0 2
assign (resid 4 and name c4') (resid 4 and name o4')
       (resid 4 and name c1') (resid 4 and name c2')   2.0 -1.3 10.0 2
assign (resid 5 and name c4') (resid 5 and name o4')
       (resid 5 and name c1') (resid 5 and name c2')   2.0 -1.3 10.0 2
assign (resid 6 and name c4') (resid 6 and name o4')
       (resid 6 and name c1') (resid 6 and name c2')   2.0 -27.5 10.0 2
assign (resid 7 and name c4') (resid 7 and name o4')
       (resid 7 and name c1') (resid 7 and name c2')   2.0 -27.5 10.0 2
assign (resid 8 and name c4') (resid 8 and name o4')
       (resid 8 and name c1') (resid 8 and name c2')   2.0 -27.5 10.0 2
!assign (resid 9 and name c4') (resid 9 and name o4')
!       (resid 9 and name c1') (resid 9 and name c2')   2.0 -35.2 10.0 2
!assign (resid 10 and name c4') (resid 10 and name o4')
!       (resid 10 and name c1') (resid 10 and name c2') 2.0 -35.2 10.0 2
!assign (resid 11 and name c4') (resid 11 and name o4')
!       (resid 11 and name c1') (resid 11 and name c2') 2.0 -35.2 10.0 2
!assign (resid 12 and name c4') (resid 12 and name o4')
!       (resid 12 and name c1') (resid 12 and name c2') 2.0 -35.2 10.0 2
       
!v1
assign (resid 1 and name o4') (resid 1 and name c1') 
       (resid 1 and name c2') (resid 1 and name c3')   2.0 -20.7 10.0 2
assign (resid 2 and name o4') (resid 2 and name c1')
       (resid 2 and name c2') (resid 2 and name c3')   2.0 -20.7 10.0 2
assign (resid 3 and name o4') (resid 3 and name c1')
       (resid 3 and name c2') (resid 3 and name c3')   2.0 -20.7 10.0 2
assign (resid 4 and name o4') (resid 4 and name c1')
       (resid 4 and name c2') (resid 4 and name c3')   2.0 -20.7 10.0 2
assign (resid 5 and name o4') (resid 5 and name c1')
       (resid 5 and name c2') (resid 5 and name c3')   2.0 -20.7 10.0 2 
assign (resid 6 and name o4') (resid 6 and name c1')
       (resid 6 and name c2') (resid 6 and name c3')   2.0 36.8 10.0 2
assign (resid 7 and name o4') (resid 7 and name c1')
       (resid 7 and name c2') (resid 7 and name c3')   2.0 36.8 10.0 2
assign (resid 8 and name o4') (resid 8 and name c1')
       (resid 8 and name c2') (resid 8 and name c3')   2.0 36.8 10.0 2
!assign (resid 9 and name o4') (resid 9 and name c1')
!       (resid 9 and name c2') (resid 9 and name c3')   2.0 21.8 10.0 2
!assign (resid 10 and name o4') (resid 10 and name c1')
!       (resid 10 and name c2') (resid 10 and name c3') 2.0 21.8 10.0 2
!assign (resid 11 and name o4') (resid 11 and name c1')
!       (resid 11 and name c2') (resid 11 and name c3') 2.0 21.8 10.0 2
!assign (resid 12 and name o4') (resid 12 and name c1')
!       (resid 12 and name c2') (resid 12 and name c3') 2.0 21.8 10.0 2

!v2
assign (resid 1 and name c1') (resid 1 and name c2')
       (resid 1 and name c3') (resid 1 and name c4')   2.0 34.8 10.0 2
assign (resid 2 and name c1') (resid 2 and name c2')
       (resid 2 and name c3') (resid 2 and name c4')   2.0 34.8 10.0 2
assign (resid 3 and name c1') (resid 3 and name c2')
       (resid 3 and name c3') (resid 3 and name c4')   2.0 34.8 10.0 2
assign (resid 4 and name c1') (resid 4 and name c2')
       (resid 4 and name c3') (resid 4 and name c4')   2.0 34.8 10.0 2
assign (resid 5 and name c1') (resid 5 and name c2')
       (resid 5 and name c3') (resid 5 and name c4')   2.0 34.8 10.0 2
assign (resid 6 and name c1') (resid 6 and name c2')
       (resid 6 and name c3') (resid 6 and name c4')   2.0 -32.0 10.0 2
assign (resid 7 and name c1') (resid 7 and name c2')
       (resid 7 and name c3') (resid 7 and name c4')   2.0 -32.0 10.0 2
assign (resid 8 and name c1') (resid 8 and name c2')
       (resid 8 and name c3') (resid 8 and name c4')   2.0 -32.0 10.0 2
!assign (resid 9 and name c1') (resid 9 and name c2')
!       (resid 9 and name c3') (resid 9 and name c4')   2.0 0.0 10.0 2
!assign (resid 10 and name c1') (resid 10 and name c2')
!       (resid 10 and name c3') (resid 10 and name c4') 2.0 0.0 10.0 2
!assign (resid 11 and name c1') (resid 11 and name c2')
!       (resid 11 and name c3') (resid 11 and name c4') 2.0 0.0 10.0 2
!assign (resid 12 and name c1') (resid 12 and name c2')
!       (resid 12 and name c3') (resid 12 and name c4') 2.0 0.0 10.0 2 
       
!v3
assign (resid 1 and name c2') (resid 1 and name c3')
       (resid 1 and name c4') (resid 1 and name o4')   2.0 -35.6 10.0 2
assign (resid 2 and name c2') (resid 2 and name c3')
       (resid 2 and name c4') (resid 2 and name o4')   2.0 -35.6 10.0 2
assign (resid 3 and name c2') (resid 3 and name c3')
       (resid 3 and name c4') (resid 3 and name o4')   2.0 -35.6 10.0 2
assign (resid 4 and name c2') (resid 4 and name c3')
       (resid 4 and name c4') (resid 4 and name o4')   2.0 -35.6 10.0 2
assign (resid 5 and name c2') (resid 5 and name c3')
       (resid 5 and name c4') (resid 5 and name o4')   2.0 -35.6 10.0 2
assign (resid 6 and name c2') (resid 6 and name c3')
       (resid 6 and name c4') (resid 6 and name o4')   2.0 15.1 10.0 2
assign (resid 7 and name c2') (resid 7 and name c3')
       (resid 7 and name c4') (resid 7 and name o4')   2.0 15.1 10.0 2
assign (resid 8 and name c2') (resid 8 and name c3')
       (resid 8 and name c4') (resid 8 and name o4')   2.0 15.1 10.0 2
!assign (resid 9 and name c2') (resid 9 and name c3')
!       (resid 9 and name c4') (resid 9 and name o4')   2.0 -21.8 10.0 2
!assign (resid 10 and name c2') (resid 10 and name c3')
!       (resid 10 and name c4') (resid 10 and name o4') 2.0 -21.8 10.0 2
!assign (resid 11 and name c2') (resid 11 and name c3')
!       (resid 11 and name c4') (resid 11 and name o4') 2.0 -21.8 10.0 2
!assign (resid 12 and name c2') (resid 12 and name c3')
!       (resid 12 and name c4') (resid 12 and name o4') 2.0 -21.8 10.0 2 

!v4
assign (resid 1 and name c3') (resid 1 and name c4')
       (resid 1 and name o4') (resid 1 and name c1')   2.0 22.8 10.0 2
assign (resid 2 and name c3') (resid 2 and name c4') 
       (resid 2 and name o4') (resid 2 and name c1')   2.0 22.8 10.0 2
assign (resid 3 and name c3') (resid 3 and name c4')
       (resid 3 and name o4') (resid 3 and name c1')   2.0 22.8 10.0 2
assign (resid 4 and name c3') (resid 4 and name c4')
       (resid 4 and name o4') (resid 4 and name c1')   2.0 22.8 10.0 2
assign (resid 5 and name c3') (resid 5 and name c4')
       (resid 5 and name o4') (resid 5 and name c1')   2.0 22.8 10.0 2 
assign (resid 6 and name c3') (resid 6 and name c4')
       (resid 6 and name o4') (resid 6 and name c1')   2.0 7.7 10.0 2
assign (resid 7 and name c3') (resid 7 and name c4')
       (resid 7 and name o4') (resid 7 and name c1')   2.0 7.7 10.0 2
assign (resid 8 and name c3') (resid 8 and name c4')
       (resid 8 and name o4') (resid 8 and name c1')   2.0 7.7 10.0 2
!assign (resid 9 and name c3') (resid 9 and name c4')
!       (resid 9 and name o4') (resid 9 and name c1')   2.0 35.2 10.0 2
!assign (resid 10 and name c3') (resid 10 and name c4')
!       (resid 10 and name o4') (resid 10 and name c1') 2.0 35.2 10.0 2
!assign (resid 11 and name c3') (resid 11 and name c4')
!       (resid 11 and name o4') (resid 11 and name c1') 2.0 35.2 10.0 2
!assign (resid 12 and name c3') (resid 12 and name c4')
!       (resid 12 and name o4') (resid 12 and name c1') 2.0 35.2 10.0 2
!-----------------------------------------------------------------

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1   6.056  -8.270   0.481
    2   2H5*    G   1          2H5*        G   1   6.339  -7.955   2.216
    3    H4*    G   1           H4*        G   1   8.260  -7.318   0.791
    4    H3*    G   1           H3*        G   1   6.646  -5.203   2.172
    5    H2*    G   1           H2*        G   1   7.831  -3.467   1.245
    6   2HO*    G   1          2HO*        G   1   9.867  -5.097   1.552
    7    H1*    G   1           H1*        G   1   8.318  -4.502  -1.244
    8    H8     G   1           H8         G   1   4.842  -5.284  -0.997
    9    H1     G   1           H1         G   1   5.520   1.038  -0.907
   10   1H2     G   1          1H2         G   1   7.621   1.570  -0.480
   11   2H2     G   1          2H2         G   1   8.856   0.354  -0.225
   12    H5T    G   1           H5T        G   1   4.766  -6.423   0.399
   13   1H5*    G   2          1H5*        G   2  10.281  -3.641   2.604
   14   2H5*    G   2          2H5*        G   2  10.729  -3.609   4.333
   15    H4*    G   2           H4*        G   2  11.199  -1.470   3.301
   16    H3*    G   2           H3*        G   2   8.750  -1.580   5.042
   17    H2*    G   2           H2*        G   2   8.337   0.667   4.733
   18   2HO*    G   2          2HO*        G   2  10.999   0.795   4.625
   19    H1*    G   2           H1*        G   2   9.099   0.839   2.083
   20    H8     G   2           H8         G   2   6.923  -2.173   2.863
   21    H1     G   2           H1         G   2   3.595   3.125   1.756
   22   1H2     G   2          1H2         G   2   4.957   4.871   1.714
   23   2H2     G   2          2H2         G   2   6.686   4.707   1.948
   24   1H5*    A   3          1H5*        A   3  10.687   1.705   6.132
   25   2H5*    A   3          2H5*        A   3  10.697   2.032   7.874
   26    H4*    A   3           H4*        A   3   9.692   3.901   6.675
   27    H3*    A   3           H3*        A   3   7.798   2.189   8.282
   28    H2*    A   3           H2*        A   3   6.087   3.719   7.824
   29   2HO*    A   3          2HO*        A   3   6.986   5.659   8.315
   30    H1*    A   3           H1*        A   3   6.958   4.416   5.264
   31    H8     A   3           H8         A   3   6.573   0.686   5.884
   32   1H6     A   3          1H6         A   3   0.661   1.324   4.312
   33   2H6     A   3          2H6         A   3   1.953   0.189   4.654
   34    H2     A   3           H2         A   3   2.455   5.440   4.709
   35   1H5*    C   4          1H5*        C   4   7.887   6.328   9.730
   36   2H5*    C   4          2H5*        C   4   7.509   6.459  11.459
   37    H4*    C   4           H4*        C   4   6.059   7.910  10.066
   38    H3*    C   4           H3*        C   4   4.903   5.643  11.664
   39    H2*    C   4           H2*        C   4   2.791   5.972  10.896
   40   2HO*    C   4          2HO*        C   4   2.547   8.140  11.363
   41    H1*    C   4           H1*        C   4   3.367   6.950   8.341
   42   1H4     C   4          1H4         C   4   1.152   1.094   7.382
   43   2H4     C   4          2H4         C   4   2.508   0.369   8.228
   44    H5     C   4           H5         C   4   4.210   1.672   9.345
   45    H6     C   4           H6         C   4   5.020   3.955   9.793
   46   1H5*    T   5          1H5*        T   5   2.405   9.573  12.679
   47   2H5*    T   5          2H5*        T   5   2.279   9.344  14.436
   48    H4*    T   5           H4*        T   5   0.075   9.816  13.527
   49    H3*    T   5           H3*        T   5   0.659   7.042  14.521
   50   1H2*    T   5          1H2*        T   5  -1.357   6.223  13.872
   51   2H2*    T   5          2H2*        T   5  -2.154   7.860  13.989
   52    H1*    T   5           H1*        T   5  -1.928   8.015  11.765
   53    H3     T   5           H3         T   5  -2.268   4.424   9.174
   54   1H5M    T   5          1H5M        T   5   1.348   2.962  12.625
   55   2H5M    T   5          2H5M        T   5   1.455   2.362  10.953
   56   3H5M    T   5          3H5M        T   5   2.422   3.769  11.458
   57    H6     T   5           H6         T   5   0.901   5.673  12.566
   58   1H5*    T   6          1H5*        T   6  -2.034   9.433  17.279
   59   2H5*    T   6          2H5*        T   6  -2.602   8.757  18.818
   60    H4*    T   6           H4*        T   6  -4.268   8.872  16.851
   61    H3*    T   6           H3*        T   6  -4.001   7.026  18.966
   62   1H2*    T   6          1H2*        T   6  -3.356   5.186  17.767
   63   2H2*    T   6          2H2*        T   6  -5.129   5.116  17.322
   64    H1*    T   6           H1*        T   6  -4.755   5.987  15.248
   65    H3     T   6           H3         T   6  -2.590   2.788  12.997
   66   1H5M    T   6          1H5M        T   6   0.451   3.510  17.175
   67   2H5M    T   6          2H5M        T   6   1.199   3.090  15.614
   68   3H5M    T   6          3H5M        T   6   1.113   4.792  16.132
   69    H6     T   6           H6         T   6  -1.387   5.488  16.783
   70   1H5*    C   7          1H5*        C   7  -8.872   4.670  18.590
   71   2H5*    C   7          2H5*        C   7  -7.768   3.380  18.071
   72    H4*    C   7           H4*        C   7  -9.820   3.429  16.691
   73    H3*    C   7           H3*        C   7  -7.146   3.466  15.713
   74    H1*    C   7           H1*        C   7 -10.222   5.273  14.106
   75   1H4     C   7          1H4         C   7  -8.967  11.344  12.721
   76   2H4     C   7          2H4         C   7  -7.804  11.460  14.022
   77    H5     C   7           H5         C   7  -7.272   9.627  15.470
   78    H6     C   7           H6         C   7  -7.685   7.266  15.970
   79   1H2*    C   7          1H2*        C   7  -7.250   5.356  14.488
   80   2H2*    C   7          2H2*        C   7  -8.267   4.355  13.345
   81   1H5*    G   8          1H5*        G   8  -9.531   0.611  10.926
   82   2H5*    G   8          2H5*        G   8  -7.917   0.130  11.522
   83    H4*    G   8           H4*        G   8  -8.688   2.454   9.676
   84    H3*    G   8           H3*        G   8  -8.150  -0.254   9.098
   85    H1*    G   8           H1*        G   8  -5.465   2.595   8.745
   86    H8     G   8           H8         G   8  -4.913   2.410  12.207
   87    H1     G   8           H1         G   8  -0.147  -0.684   9.320
   88   1H2     G   8          1H2         G   8  -0.716  -1.134   7.224
   89   2H2     G   8          2H2         G   8  -2.263  -0.663   6.557
   90   1H2*    G   8          1H2*        G   8  -5.911  -0.272   9.487
   91   2H2*    G   8          2H2*        G   8  -5.834   0.522   7.842
   92   1H5*    G   9          1H5*        G   9  -9.409   2.709   6.528
   93   2H5*    G   9          2H5*        G   9  -9.853   3.031   4.829
   94    H4*    G   9           H4*        G   9  -8.425   4.787   5.926
   95    H3*    G   9           H3*        G   9  -7.665   3.308   3.473
   96    H1*    G   9           H1*        G   9  -5.434   5.035   6.234
   97    H8     G   9           H8         G   9  -5.310   1.269   5.451
   98    H1     G   9           H1         G   9   0.270   3.856   7.037
   99   1H2     G   9          1H2         G   9   0.051   6.042   7.275
  100   2H2     G   9          2H2         G   9  -1.491   6.847   7.054
  101   1H2*    G   9          1H2*        G   9  -5.460   3.530   3.722
  102   2H2*    G   9          2H2*        G   9  -5.659   5.304   4.029
  103   1H5*    T  10          1H5*        T  10  -6.204   7.683   4.087
  104   2H5*    T  10          2H5*        T  10  -6.343   8.520   2.526
  105    H4*    T  10           H4*        T  10  -4.168   9.007   3.585
  106    H3*    T  10           H3*        T  10  -4.414   7.636   0.998
  107   1H2*    T  10          1H2*        T  10  -2.507   6.512   1.088
  108   2H2*    T  10          2H2*        T  10  -1.634   8.027   1.581
  109    H1*    T  10           H1*        T  10  -1.563   7.406   3.721
  110    H3     T  10           H3         T  10   0.481   3.462   4.094
  111   1H5M    T  10          1H5M        T  10  -4.394   2.084   2.968
  112   2H5M    T  10          2H5M        T  10  -3.078   1.132   2.247
  113   3H5M    T  10          3H5M        T  10  -3.883   2.401   1.294
  114    H6     T  10           H6         T  10  -3.793   4.769   2.350
  115   1H5*    C  11          1H5*        C  11  -0.854  10.393   1.890
  116   2H5*    C  11          2H5*        C  11  -0.269  11.219   0.432
  117    H4*    C  11           H4*        C  11   1.600  10.221   1.707
  118    H3*    C  11           H3*        C  11   0.930   9.344  -1.049
  119    H1*    C  11           H1*        C  11   2.762   7.517   1.922
  120   1H4     C  11          1H4         C  11   1.099   1.450   1.214
  121   2H4     C  11          2H4         C  11  -0.408   1.884   0.430
  122    H5     C  11           H5         C  11  -1.035   4.178  -0.045
  123    H6     C  11           H6         C  11  -0.327   6.521   0.119
  124   1H2*    C  11          1H2*        C  11   2.005   7.371  -0.910
  125   2H2*    C  11          2H2*        C  11   3.423   8.175  -0.104
  126   1H5*    C  12          1H5*        C  12   5.597   9.608   0.082
  127   2H5*    C  12          2H5*        C  12   6.316  10.221  -1.419
  128    H4*    C  12           H4*        C  12   7.651   8.370  -0.572
  129    H3*    C  12           H3*        C  12   6.086   8.011  -3.095
  130    H1*    C  12           H1*        C  12   7.346   5.327  -0.513
  131   1H4     C  12          1H4         C  12   2.655   1.123  -1.379
  132   2H4     C  12          2H4         C  12   1.502   2.412  -1.675
  133    H5     C  12           H5         C  12   2.110   4.725  -1.759
  134    H6     C  12           H6         C  12   3.950   6.337  -1.562
  135    H3T    C  12           H3T        C  12   8.020   9.262  -3.006
  136   1H2*    C  12          1H2*        C  12   6.404   5.790  -3.216
  137   2H2*    C  12          2H2*        C  12   8.095   5.926  -2.538
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1   2.984  -8.413   3.647
    2   2H5*    G   1          2H5*        G   1   3.348  -7.818   5.290
    3    H4*    G   1           H4*        G   1   5.128  -7.312   3.632
    4    H3*    G   1           H3*        G   1   3.507  -5.073   4.802
    5    H2*    G   1           H2*        G   1   4.471  -3.488   3.523
    6   2HO*    G   1          2HO*        G   1   6.625  -3.966   4.203
    7    H1*    G   1           H1*        G   1   5.263  -5.068   1.325
    8    H8     G   1           H8         G   1   1.594  -5.191   1.671
    9    H1     G   1           H1         G   1   3.589   0.529  -0.292
   10   1H2     G   1          1H2         G   1   5.782   0.688  -0.038
   11   2H2     G   1          2H2         G   1   6.733  -0.631   0.615
   12    H5T    G   1           H5T        G   1   1.196  -7.390   4.723
   13   1H5*    G   2          1H5*        G   2   8.495  -4.408   5.030
   14   2H5*    G   2          2H5*        G   2   8.437  -3.946   6.754
   15    H4*    G   2           H4*        G   2  10.032  -2.566   5.471
   16    H3*    G   2           H3*        G   2   7.474  -1.302   6.427
   17    H2*    G   2           H2*        G   2   8.031   0.762   5.535
   18   2HO*    G   2          2HO*        G   2  10.503  -0.008   6.079
   19    H1*    G   2           H1*        G   2   8.999  -0.089   3.148
   20    H8     G   2           H8         G   2   6.225  -2.316   4.156
   21    H1     G   2           H1         G   2   4.029   3.267   2.119
   22   1H2     G   2          1H2         G   2   5.678   4.713   1.901
   23   2H2     G   2          2H2         G   2   7.341   4.288   2.255
   24   1H5*    A   3          1H5*        A   3   9.947   1.480   7.015
   25   2H5*    A   3          2H5*        A   3   9.856   2.304   8.583
   26    H4*    A   3           H4*        A   3   9.500   3.892   6.755
   27    H3*    A   3           H3*        A   3   7.163   3.205   8.520
   28    H2*    A   3           H2*        A   3   5.817   4.752   7.391
   29   2HO*    A   3          2HO*        A   3   7.044   6.568   7.340
   30    H1*    A   3           H1*        A   3   6.867   4.388   4.867
   31    H8     A   3           H8         A   3   6.088   1.060   6.383
   32   1H6     A   3          1H6         A   3   0.205   1.922   4.814
   33   2H6     A   3          2H6         A   3   1.389   0.763   5.377
   34    H2     A   3           H2         A   3   2.379   5.821   4.262
   35   1H5*    C   4          1H5*        C   4   7.880   7.365   9.068
   36   2H5*    C   4          2H5*        C   4   7.448   8.004  10.668
   37    H4*    C   4           H4*        C   4   6.086   9.049   8.905
   38    H3*    C   4           H3*        C   4   4.830   7.241  10.938
   39    H2*    C   4           H2*        C   4   2.757   7.331  10.012
   40   2HO*    C   4          2HO*        C   4   3.308   9.844   9.736
   41    H1*    C   4           H1*        C   4   3.469   7.656   7.332
   42   1H4     C   4          1H4         C   4   1.192   1.783   7.883
   43   2H4     C   4          2H4         C   4   2.568   1.267   8.834
   44    H5     C   4           H5         C   4   4.330   2.795   9.544
   45    H6     C   4           H6         C   4   5.121   5.114   9.446
   46   1H5*    T   5          1H5*        T   5   1.917   9.273  11.039
   47   2H5*    T   5          2H5*        T   5   1.415   9.714  12.685
   48    H4*    T   5           H4*        T   5  -0.249   8.231  11.712
   49    H3*    T   5           H3*        T   5   1.494   7.230  13.934
   50   1H2*    T   5          1H2*        T   5   0.694   5.102  13.852
   51   2H2*    T   5          2H2*        T   5  -0.873   5.636  13.094
   52    H1*    T   5           H1*        T   5   0.011   4.921  11.149
   53    H3     T   5           H3         T   5   2.989   1.567  11.428
   54   1H5M    T   5          1H5M        T   5   5.413   5.517  13.849
   55   2H5M    T   5          2H5M        T   5   6.355   4.346  12.894
   56   3H5M    T   5          3H5M        T   5   5.837   5.882  12.160
   57    H6     T   5           H6         T   5   3.172   6.235  12.519
   58   1H5*    T   6          1H5*        T   6  -2.746   8.352  14.303
   59   2H5*    T   6          2H5*        T   6  -3.949   8.158  15.594
   60    H4*    T   6           H4*        T   6  -4.533   7.036  13.399
   61    H3*    T   6           H3*        T   6  -4.792   6.049  16.065
   62   1H2*    T   6          1H2*        T   6  -3.532   4.168  15.880
   63   2H2*    T   6          2H2*        T   6  -4.923   3.545  14.872
   64    H1*    T   6           H1*        T   6  -3.820   3.910  12.915
   65    H3     T   6           H3         T   6  -0.581   0.855  12.878
   66   1H5M    T   6          1H5M        T   6   1.739   2.823  16.356
   67   2H5M    T   6          2H5M        T   6   1.259   4.524  16.143
   68   3H5M    T   6          3H5M        T   6   0.376   3.487  17.289
   69    H6     T   6           H6         T   6  -1.358   4.728  15.601
   70   1H5*    C   7          1H5*        C   7  -7.251   3.795  12.952
   71   2H5*    C   7          2H5*        C   7  -8.700   2.950  13.524
   72    H4*    C   7           H4*        C   7  -7.098   1.516  12.204
   73    H3*    C   7           H3*        C   7  -8.447   0.912  14.656
   74    H1*    C   7           H1*        C   7  -4.870  -0.275  13.633
   75   1H4     C   7          1H4         C   7  -0.439   0.960  18.002
   76   2H4     C   7          2H4         C   7  -1.549   1.921  18.951
   77    H5     C   7           H5         C   7  -3.823   2.342  18.289
   78    H6     C   7           H6         C   7  -5.527   1.921  16.587
   79   1H2*    C   7          1H2*        C   7  -6.668   0.424  15.929
   80   2H2*    C   7          2H2*        C   7  -6.572  -1.098  14.923
   81   1H5*    G   8          1H5*        G   8 -10.340   0.186   9.788
   82   2H5*    G   8          2H5*        G   8  -8.602  -0.035  10.139
   83    H4*    G   8           H4*        G   8 -10.110   2.609   9.783
   84    H3*    G   8           H3*        G   8  -9.205   0.755   7.805
   85    H1*    G   8           H1*        G   8  -7.481   4.098   8.804
   86    H8     G   8           H8         G   8  -5.388   0.857   9.072
   87    H1     G   8           H1         G   8  -2.278   6.200  10.611
   88   1H2     G   8          1H2         G   8  -3.687   7.907  10.597
   89   2H2     G   8          2H2         G   8  -5.380   7.718  10.213
   90   1H2*    G   8          1H2*        G   8  -7.011   1.301   7.823
   91   2H2*    G   8          2H2*        G   8  -7.562   2.790   6.920
   92   1H5*    G   9          1H5*        G   9  -9.658   5.502   6.534
   93   2H5*    G   9          2H5*        G   9  -9.953   5.537   4.774
   94    H4*    G   9           H4*        G   9  -8.311   7.246   5.681
   95    H3*    G   9           H3*        G   9  -7.761   5.300   3.525
   96    H1*    G   9           H1*        G   9  -5.291   7.028   6.087
   97    H8     G   9           H8         G   9  -5.845   3.221   5.893
   98    H1     G   9           H1         G   9   0.067   5.012   7.405
   99   1H2     G   9          1H2         G   9   0.223   7.216   7.264
  100   2H2     G   9          2H2         G   9  -1.142   8.219   6.817
  101   1H2*    G   9          1H2*        G   9  -5.548   5.176   3.837
  102   2H2*    G   9          2H2*        G   9  -5.443   6.984   3.863
  103   1H5*    T  10          1H5*        T  10  -5.609   9.454   3.362
  104   2H5*    T  10          2H5*        T  10  -5.575   9.968   1.662
  105    H4*    T  10           H4*        T  10  -3.367  10.282   2.732
  106    H3*    T  10           H3*        T  10  -3.787   8.491   0.430
  107   1H2*    T  10          1H2*        T  10  -2.049   7.163   0.787
  108   2H2*    T  10          2H2*        T  10  -0.989   8.607   1.098
  109    H1*    T  10           H1*        T  10  -1.077   8.297   3.303
  110    H3     T  10           H3         T  10   0.214   4.144   4.304
  111   1H5M    T  10          1H5M        T  10  -3.674   2.233   2.689
  112   2H5M    T  10          2H5M        T  10  -4.247   3.474   1.549
  113   3H5M    T  10          3H5M        T  10  -4.810   3.486   3.236
  114    H6     T  10           H6         T  10  -3.743   5.923   2.264
  115   1H5*    C  11          1H5*        C  11   0.520  10.804   0.659
  116   2H5*    C  11          2H5*        C  11   0.848  11.096  -1.060
  117    H4*    C  11           H4*        C  11   2.839  10.167   0.023
  118    H3*    C  11           H3*        C  11   1.375   8.570  -2.025
  119    H1*    C  11           H1*        C  11   3.722   7.462   0.940
  120   1H4     C  11          1H4         C  11   1.223   1.784   2.224
  121   2H4     C  11          2H4         C  11  -0.360   2.287   1.659
  122    H5     C  11           H5         C  11  -0.799   4.481   0.752
  123    H6     C  11           H6         C  11   0.202   6.641   0.165
  124   1H2*    C  11          1H2*        C  11   2.381   6.627  -1.497
  125   2H2*    C  11          2H2*        C  11   3.978   7.455  -1.272
  126   1H5*    C  12          1H5*        C  12   6.050   8.776  -1.958
  127   2H5*    C  12          2H5*        C  12   6.669   8.517  -3.600
  128    H4*    C  12           H4*        C  12   7.868   7.160  -1.882
  129    H3*    C  12           H3*        C  12   6.356   5.939  -4.154
  130    H1*    C  12           H1*        C  12   6.968   4.290  -0.648
  131   1H4     C  12          1H4         C  12   1.503   1.073  -1.059
  132   2H4     C  12          2H4         C  12   0.784   2.326  -2.050
  133    H5     C  12           H5         C  12   1.978   4.273  -2.785
  134    H6     C  12           H6         C  12   4.113   5.485  -2.684
  135    H3T    C  12           H3T        C  12   8.566   5.378  -4.680
  136   1H2*    C  12          1H2*        C  12   6.544   3.815  -3.412
  137   2H2*    C  12          2H2*        C  12   8.125   4.165  -2.566
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1   3.965  -8.573   1.334
    2   2H5*    G   1          2H5*        G   1   3.647  -8.211   3.053
    3    H4*    G   1           H4*        G   1   5.866  -7.410   2.213
    4    H3*    G   1           H3*        G   1   3.757  -5.472   3.099
    5    H2*    G   1           H2*        G   1   4.928  -3.639   2.478
    6   2HO*    G   1          2HO*        G   1   6.781  -4.105   3.742
    7    H1*    G   1           H1*        G   1   6.538  -4.762   0.460
    8    H8     G   1           H8         G   1   3.010  -5.163  -0.494
    9    H1     G   1           H1         G   1   4.899   0.900  -0.910
   10   1H2     G   1          1H2         G   1   6.830   1.160   0.143
   11   2H2     G   1          2H2         G   1   7.636  -0.180   0.934
   12    H5T    G   1           H5T        G   1   2.677  -6.688   0.844
   13   1H5*    G   2          1H5*        G   2   8.232  -4.916   4.862
   14   2H5*    G   2          2H5*        G   2   7.840  -4.672   6.589
   15    H4*    G   2           H4*        G   2   9.716  -3.243   5.774
   16    H3*    G   2           H3*        G   2   7.095  -2.020   6.588
   17    H2*    G   2           H2*        G   2   7.777   0.129   6.085
   18   2HO*    G   2          2HO*        G   2   9.823   0.764   6.140
   19    H1*    G   2           H1*        G   2   9.107  -0.377   3.765
   20    H8     G   2           H8         G   2   6.096  -2.579   4.100
   21    H1     G   2           H1         G   2   4.550   3.210   2.036
   22   1H2     G   2          1H2         G   2   6.262   4.585   2.222
   23   2H2     G   2          2H2         G   2   7.811   4.065   2.855
   24   1H5*    A   3          1H5*        A   3   9.560   0.458   8.099
   25   2H5*    A   3          2H5*        A   3   9.195   1.044   9.734
   26    H4*    A   3           H4*        A   3   9.178   2.904   8.155
   27    H3*    A   3           H3*        A   3   6.529   2.014   9.277
   28    H2*    A   3           H2*        A   3   5.455   3.786   8.182
   29   2HO*    A   3          2HO*        A   3   6.866   5.443   8.814
   30    H1*    A   3           H1*        A   3   7.022   3.789   5.900
   31    H8     A   3           H8         A   3   5.806   0.317   6.705
   32   1H6     A   3          1H6         A   3   0.486   1.790   4.019
   33   2H6     A   3          2H6         A   3   1.467   0.490   4.663
   34    H2     A   3           H2         A   3   2.890   5.568   4.515
   35   1H5*    C   4          1H5*        C   4   7.327   5.789  11.222
   36   2H5*    C   4          2H5*        C   4   6.416   6.117  12.711
   37    H4*    C   4           H4*        C   4   5.629   7.451  10.745
   38    H3*    C   4           H3*        C   4   3.857   5.499  12.179
   39    H2*    C   4           H2*        C   4   2.104   5.800  10.765
   40   2HO*    C   4          2HO*        C   4   2.863   8.325  10.901
   41    H1*    C   4           H1*        C   4   3.518   6.447   8.425
   42   1H4     C   4          1H4         C   4   0.735   0.831   7.559
   43   2H4     C   4          2H4         C   4   1.951   0.028   8.529
   44    H5     C   4           H5         C   4   3.698   1.231   9.716
   45    H6     C   4           H6         C   4   4.615   3.452  10.209
   46   1H5*    T   5          1H5*        T   5   0.999   7.640  12.064
   47   2H5*    T   5          2H5*        T   5   0.231   7.838  13.652
   48    H4*    T   5           H4*        T   5  -1.250   6.570  12.195
   49    H3*    T   5           H3*        T   5   0.073   5.157  14.488
   50   1H2*    T   5          1H2*        T   5  -0.727   3.107  13.905
   51   2H2*    T   5          2H2*        T   5  -2.145   3.829  13.026
   52    H1*    T   5           H1*        T   5  -1.021   3.466  11.137
   53    H3     T   5           H3         T   5   1.634  -0.134  11.114
   54   1H5M    T   5          1H5M        T   5   4.633   3.664  13.095
   55   2H5M    T   5          2H5M        T   5   3.935   3.020  14.600
   56   3H5M    T   5          3H5M        T   5   4.931   1.972  13.562
   57    H6     T   5           H6         T   5   1.970   4.190  13.163
   58   1H5*    T   6          1H5*        T   6  -3.732   3.238  14.733
   59   2H5*    T   6          2H5*        T   6  -4.541   4.463  15.721
   60    H4*    T   6           H4*        T   6  -5.309   2.112  16.161
   61    H3*    T   6           H3*        T   6  -4.783   4.149  17.998
   62   1H2*    T   6          1H2*        T   6  -2.865   3.299  18.939
   63   2H2*    T   6          2H2*        T   6  -4.073   2.292  19.879
   64    H1*    T   6           H1*        T   6  -3.670   0.435  18.609
   65    H3     T   6           H3         T   6   0.424  -0.349  20.328
   66   1H5M    T   6          1H5M        T   6   1.288   3.516  16.911
   67   2H5M    T   6          2H5M        T   6   2.491   2.215  17.086
   68   3H5M    T   6          3H5M        T   6   1.274   2.134  15.789
   69    H6     T   6           H6         T   6  -1.206   2.448  16.782
   70   1H5*    C   7          1H5*        C   7  -7.967   4.153  15.333
   71   2H5*    C   7          2H5*        C   7  -9.197   2.878  15.331
   72    H4*    C   7           H4*        C   7  -7.941   3.343  13.128
   73    H3*    C   7           H3*        C   7  -8.875   0.884  14.279
   74    H1*    C   7           H1*        C   7  -5.703   1.458  12.123
   75   1H4     C   7          1H4         C   7  -0.123  -0.309  14.683
   76   2H4     C   7          2H4         C   7  -0.945  -1.432  15.741
   77    H5     C   7           H5         C   7  -3.332  -1.602  15.872
   78    H6     C   7           H6         C   7  -5.452  -0.714  15.082
   79   1H2*    C   7          1H2*        C   7  -6.943  -0.234  14.278
   80   2H2*    C   7          2H2*        C   7  -7.137  -0.293  12.469
   81   1H5*    G   8          1H5*        G   8  -9.925   0.410   8.321
   82   2H5*    G   8          2H5*        G   8  -8.539   0.618   9.427
   83    H4*    G   8           H4*        G   8 -10.548   2.733   8.488
   84    H3*    G   8           H3*        G   8  -8.265   1.670   7.163
   85    H1*    G   8           H1*        G   8  -8.444   5.073   9.011
   86    H8     G   8           H8         G   8  -5.173   3.588   9.424
   87    H1     G   8           H1         G   8  -6.919   6.484  14.816
   88   1H2     G   8          1H2         G   8  -9.090   6.898  14.779
   89   2H2     G   8          2H2         G   8 -10.100   6.455  13.424
   90   1H2*    G   8          1H2*        G   8  -6.668   2.732   8.380
   91   2H2*    G   8          2H2*        G   8  -7.137   4.167   7.348
   92   1H5*    G   9          1H5*        G   9  -9.378   5.494   5.117
   93   2H5*    G   9          2H5*        G   9  -9.459   5.536   3.336
   94    H4*    G   9           H4*        G   9  -7.856   7.160   4.467
   95    H3*    G   9           H3*        G   9  -7.147   5.204   2.351
   96    H1*    G   9           H1*        G   9  -4.888   6.763   5.207
   97    H8     G   9           H8         G   9  -5.544   3.011   4.470
   98    H1     G   9           H1         G   9   0.008   4.285   7.298
   99   1H2     G   9          1H2         G   9   0.228   6.446   7.598
  100   2H2     G   9          2H2         G   9  -1.003   7.589   7.097
  101   1H2*    G   9          1H2*        G   9  -4.964   5.090   2.826
  102   2H2*    G   9          2H2*        G   9  -4.865   6.896   2.975
  103   1H5*    T  10          1H5*        T  10  -5.050   9.313   2.443
  104   2H5*    T  10          2H5*        T  10  -4.852   9.905   0.781
  105    H4*    T  10           H4*        T  10  -2.773  10.221   2.068
  106    H3*    T  10           H3*        T  10  -2.920   8.472  -0.299
  107   1H2*    T  10          1H2*        T  10  -1.198   7.176   0.198
  108   2H2*    T  10          2H2*        T  10  -0.209   8.627   0.663
  109    H1*    T  10           H1*        T  10  -0.516   8.236   2.831
  110    H3     T  10           H3         T  10   0.708   4.066   3.834
  111   1H5M    T  10          1H5M        T  10  -3.450   3.468   0.613
  112   2H5M    T  10          2H5M        T  10  -4.174   3.406   2.236
  113   3H5M    T  10          3H5M        T  10  -2.977   2.186   1.753
  114    H6     T  10           H6         T  10  -3.038   5.884   1.452
  115   1H5*    C  11          1H5*        C  11   1.182  10.766   0.627
  116   2H5*    C  11          2H5*        C  11   1.769  11.231  -0.982
  117    H4*    C  11           H4*        C  11   3.612  10.289   0.308
  118    H3*    C  11           H3*        C  11   2.540   8.796  -2.039
  119    H1*    C  11           H1*        C  11   4.432   7.466   1.155
  120   1H4     C  11          1H4         C  11   1.719   1.758   1.505
  121   2H4     C  11          2H4         C  11   0.260   2.336   0.717
  122    H5     C  11           H5         C  11   0.009   4.595  -0.088
  123    H6     C  11           H6         C  11   1.111   6.776  -0.314
  124   1H2*    C  11          1H2*        C  11   3.590   6.862  -1.538
  125   2H2*    C  11          2H2*        C  11   5.065   7.748  -0.957
  126   1H5*    C  12          1H5*        C  12   6.984   9.344  -1.175
  127   2H5*    C  12          2H5*        C  12   8.010   9.263  -2.620
  128    H4*    C  12           H4*        C  12   8.871   7.880  -0.713
  129    H3*    C  12           H3*        C  12   8.145   6.769  -3.386
  130    H1*    C  12           H1*        C  12   7.908   4.810   0.008
  131   1H4     C  12          1H4         C  12   3.011   1.441  -2.264
  132   2H4     C  12          2H4         C  12   2.499   2.781  -3.272
  133    H5     C  12           H5         C  12   3.706   4.854  -3.425
  134    H6     C  12           H6         C  12   5.642   6.120  -2.597
  135    H3T    C  12           H3T        C  12  10.104   7.933  -2.986
  136   1H2*    C  12          1H2*        C  12   8.292   4.603  -2.785
  137   2H2*    C  12          2H2*        C  12   9.554   4.955  -1.513
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1   3.679  -8.584   3.084
    2   2H5*    G   1          2H5*        G   1   3.979  -8.043   4.760
    3    H4*    G   1           H4*        G   1   5.812  -7.458   3.190
    4    H3*    G   1           H3*        G   1   4.105  -5.275   4.347
    5    H2*    G   1           H2*        G   1   5.115  -3.645   3.169
    6   2HO*    G   1          2HO*        G   1   7.238  -4.103   3.914
    7    H1*    G   1           H1*        G   1   6.002  -5.148   0.956
    8    H8     G   1           H8         G   1   2.338  -5.343   1.111
    9    H1     G   1           H1         G   1   4.289   0.525  -0.401
   10   1H2     G   1          1H2         G   1   6.466   0.712  -0.029
   11   2H2     G   1          2H2         G   1   7.412  -0.626   0.590
   12    H5T    G   1           H5T        G   1   2.404  -6.595   2.882
   13   1H5*    G   2          1H5*        G   2   9.066  -4.474   4.773
   14   2H5*    G   2          2H5*        G   2   8.902  -4.165   6.525
   15    H4*    G   2           H4*        G   2  10.507  -2.626   5.466
   16    H3*    G   2           H3*        G   2   7.845  -1.544   6.349
   17    H2*    G   2           H2*        G   2   8.354   0.605   5.665
   18   2HO*    G   2          2HO*        G   2  11.047  -0.321   5.452
   19    H1*    G   2           H1*        G   2   9.523  -0.001   3.290
   20    H8     G   2           H8         G   2   6.778  -2.405   3.920
   21    H1     G   2           H1         G   2   4.514   3.238   2.132
   22   1H2     G   2          1H2         G   2   6.111   4.755   2.148
   23   2H2     G   2          2H2         G   2   7.759   4.366   2.600
   24   1H5*    A   3          1H5*        A   3  10.156   1.193   7.342
   25   2H5*    A   3          2H5*        A   3   9.959   1.914   8.952
   26    H4*    A   3           H4*        A   3   9.654   3.610   7.227
   27    H3*    A   3           H3*        A   3   7.220   2.727   8.761
   28    H2*    A   3           H2*        A   3   5.925   4.340   7.660
   29   2HO*    A   3          2HO*        A   3   7.222   6.136   7.912
   30    H1*    A   3           H1*        A   3   7.183   4.192   5.202
   31    H8     A   3           H8         A   3   6.335   0.747   6.369
   32   1H6     A   3          1H6         A   3   0.585   1.705   4.415
   33   2H6     A   3          2H6         A   3   1.740   0.509   4.961
   34    H2     A   3           H2         A   3   2.738   5.655   4.393
   35   1H5*    C   4          1H5*        C   4   8.021   6.691   9.869
   36   2H5*    C   4          2H5*        C   4   7.528   7.272  11.474
   37    H4*    C   4           H4*        C   4   6.231   8.383   9.711
   38    H3*    C   4           H3*        C   4   4.896   6.466  11.590
   39    H2*    C   4           H2*        C   4   2.864   6.636  10.584
   40   2HO*    C   4          2HO*        C   4   3.552   9.181  10.419
   41    H1*    C   4           H1*        C   4   3.716   7.176   7.963
   42   1H4     C   4          1H4         C   4   1.263   1.341   7.761
   43   2H4     C   4          2H4         C   4   2.661   0.677   8.582
   44    H5     C   4           H5         C   4   4.436   2.063   9.499
   45    H6     C   4           H6         C   4   5.255   4.359   9.747
   46   1H5*    T   5          1H5*        T   5   2.183   8.741  11.777
   47   2H5*    T   5          2H5*        T   5   1.511   9.020  13.397
   48    H4*    T   5           H4*        T   5  -0.076   7.731  12.080
   49    H3*    T   5           H3*        T   5   1.366   6.395  14.344
   50   1H2*    T   5          1H2*        T   5   0.493   4.346  13.909
   51   2H2*    T   5          2H2*        T   5  -0.979   5.055  13.110
   52    H1*    T   5           H1*        T   5  -0.005   4.608  11.146
   53    H3     T   5           H3         T   5   2.518   0.897  11.068
   54   1H5M    T   5          1H5M        T   5   5.170   4.052  14.278
   55   2H5M    T   5          2H5M        T   5   6.056   2.970  13.177
   56   3H5M    T   5          3H5M        T   5   5.758   4.662  12.713
   57    H6     T   5           H6         T   5   3.146   5.271  12.935
   58   1H5*    T   6          1H5*        T   6  -2.874   7.735  14.573
   59   2H5*    T   6          2H5*        T   6  -4.111   7.478  15.821
   60    H4*    T   6           H4*        T   6  -4.676   6.495  13.566
   61    H3*    T   6           H3*        T   6  -4.961   5.339  16.153
   62   1H2*    T   6          1H2*        T   6  -3.635   3.514  15.886
   63   2H2*    T   6          2H2*        T   6  -5.000   2.901  14.839
   64    H1*    T   6           H1*        T   6  -3.901   3.392  12.911
   65    H3     T   6           H3         T   6  -0.465   0.590  12.566
   66   1H5M    T   6          1H5M        T   6   1.036   3.831  16.401
   67   2H5M    T   6          2H5M        T   6   0.165   2.599  17.343
   68   3H5M    T   6          3H5M        T   6   1.597   2.141  16.392
   69    H6     T   6           H6         T   6  -1.566   3.987  15.767
   70   1H5*    C   7          1H5*        C   7  -7.278   3.058  13.003
   71   2H5*    C   7          2H5*        C   7  -8.495   1.890  13.542
   72    H4*    C   7           H4*        C   7  -6.460   0.969  12.264
   73    H3*    C   7           H3*        C   7  -7.959  -0.114  14.429
   74    H1*    C   7           H1*        C   7  -4.100  -0.438  13.956
   75   1H4     C   7          1H4         C   7  -0.703   1.437  18.963
   76   2H4     C   7          2H4         C   7  -2.085   2.220  19.694
   77    H5     C   7           H5         C   7  -4.260   2.264  18.677
   78    H6     C   7           H6         C   7  -5.593   1.552  16.756
   79   1H2*    C   7          1H2*        C   7  -6.315  -0.249  15.965
   80   2H2*    C   7          2H2*        C   7  -5.749  -1.664  14.957
   81   1H5*    G   8          1H5*        G   8  -8.725  -0.533   9.265
   82   2H5*    G   8          2H5*        G   8  -7.023  -0.103   9.594
   83    H4*    G   8           H4*        G   8  -9.459   1.749   9.400
   84    H3*    G   8           H3*        G   8  -7.879   0.623   7.342
   85    H1*    G   8           H1*        G   8  -7.690   4.197   8.621
   86    H8     G   8           H8         G   8  -6.179   5.982   9.671
   87    H1     G   8           H1         G   8  -1.064   2.208   9.690
   88   1H2     G   8          1H2         G   8  -1.642   0.153   9.098
   89   2H2     G   8          2H2         G   8  -3.288  -0.280   8.707
   90   1H2*    G   8          1H2*        G   8  -5.991   1.847   7.798
   91   2H2*    G   8          2H2*        G   8  -6.871   3.065   6.755
   92   1H5*    G   9          1H5*        G   9  -9.523   4.827   5.765
   93   2H5*    G   9          2H5*        G   9  -9.536   4.854   3.982
   94    H4*    G   9           H4*        G   9  -8.130   6.619   5.263
   95    H3*    G   9           H3*        G   9  -7.353   4.949   2.960
   96    H1*    G   9           H1*        G   9  -5.101   6.458   5.851
   97    H8     G   9           H8         G   9  -5.459   2.683   5.041
   98    H1     G   9           H1         G   9   0.166   4.382   7.513
   99   1H2     G   9          1H2         G   9   0.218   6.565   7.810
  100   2H2     G   9          2H2         G   9  -1.141   7.596   7.411
  101   1H2*    G   9          1H2*        G   9  -5.167   4.853   3.408
  102   2H2*    G   9          2H2*        G   9  -5.123   6.652   3.623
  103   1H5*    T  10          1H5*        T  10  -5.340   9.168   3.205
  104   2H5*    T  10          2H5*        T  10  -5.238   9.802   1.550
  105    H4*    T  10           H4*        T  10  -3.083  10.055   2.743
  106    H3*    T  10           H3*        T  10  -3.373   8.441   0.293
  107   1H2*    T  10          1H2*        T  10  -1.639   7.103   0.640
  108   2H2*    T  10          2H2*        T  10  -0.612   8.534   1.088
  109    H1*    T  10           H1*        T  10  -0.796   8.102   3.264
  110    H3     T  10           H3         T  10   0.620   3.946   4.043
  111   1H5M    T  10          1H5M        T  10  -3.165   2.008   2.225
  112   2H5M    T  10          2H5M        T  10  -3.744   3.290   1.134
  113   3H5M    T  10          3H5M        T  10  -4.355   3.195   2.801
  114    H6     T  10           H6         T  10  -3.339   5.714   1.996
  115   1H5*    C  11          1H5*        C  11   0.779  10.776   1.081
  116   2H5*    C  11          2H5*        C  11   1.314  11.255  -0.543
  117    H4*    C  11           H4*        C  11   3.176  10.262   0.732
  118    H3*    C  11           H3*        C  11   2.121   8.963  -1.722
  119    H1*    C  11           H1*        C  11   4.061   7.543   1.399
  120   1H4     C  11          1H4         C  11   1.783   1.647   1.888
  121   2H4     C  11          2H4         C  11   0.217   2.144   1.272
  122    H5     C  11           H5         C  11  -0.253   4.392   0.529
  123    H6     C  11           H6         C  11   0.685   6.636   0.226
  124   1H2*    C  11          1H2*        C  11   2.987   6.942  -1.262
  125   2H2*    C  11          2H2*        C  11   4.561   7.695  -0.774
  126   1H5*    C  12          1H5*        C  12   6.838   8.983  -0.991
  127   2H5*    C  12          2H5*        C  12   7.573   8.974  -2.603
  128    H4*    C  12           H4*        C  12   8.578   7.285  -1.075
  129    H3*    C  12           H3*        C  12   7.194   6.533  -3.616
  130    H1*    C  12           H1*        C  12   7.635   4.359  -0.369
  131   1H4     C  12          1H4         C  12   2.237   1.104  -1.169
  132   2H4     C  12          2H4         C  12   1.482   2.465  -1.972
  133    H5     C  12           H5         C  12   2.627   4.518  -2.448
  134    H6     C  12           H6         C  12   4.740   5.748  -2.226
  135    H3T    C  12           H3T        C  12   9.873   6.270  -2.647
  136   1H2*    C  12          1H2*        C  12   7.186   4.319  -3.204
  137   2H2*    C  12          2H2*        C  12   8.768   4.406  -2.298
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1   3.552  -8.285   5.733
    2   2H5*    G   1          2H5*        G   1   3.626  -7.437   7.304
    3    H4*    G   1           H4*        G   1   5.664  -7.138   5.904
    4    H3*    G   1           H3*        G   1   3.854  -4.803   6.439
    5    H2*    G   1           H2*        G   1   5.025  -3.390   5.132
    6   2HO*    G   1          2HO*        G   1   7.033  -3.705   6.211
    7    H1*    G   1           H1*        G   1   6.164  -5.243   3.342
    8    H8     G   1           H8         G   1   2.508  -5.454   3.068
    9    H1     G   1           H1         G   1   4.696   0.066   0.770
   10   1H2     G   1          1H2         G   1   6.807   0.350   1.384
   11   2H2     G   1          2H2         G   1   7.651  -0.838   2.357
   12    H5T    G   1           H5T        G   1   2.347  -6.375   4.994
   13   1H5*    G   2          1H5*        G   2   8.723  -3.860   7.416
   14   2H5*    G   2          2H5*        G   2   8.317  -3.193   9.023
   15    H4*    G   2           H4*        G   2  10.072  -1.886   7.871
   16    H3*    G   2           H3*        G   2   7.337  -0.666   8.183
   17    H2*    G   2           H2*        G   2   8.001   1.311   7.167
   18   2HO*    G   2          2HO*        G   2  10.303   0.816   8.274
   19    H1*    G   2           H1*        G   2   9.396   0.234   5.112
   20    H8     G   2           H8         G   2   6.557  -2.008   5.897
   21    H1     G   2           H1         G   2   4.604   3.121   2.728
   22   1H2     G   2          1H2         G   2   6.213   4.623   2.619
   23   2H2     G   2          2H2         G   2   7.790   4.350   3.331
   24   1H5*    A   3          1H5*        A   3   9.580   2.318   9.092
   25   2H5*    A   3          2H5*        A   3   9.113   3.214  10.550
   26    H4*    A   3           H4*        A   3   9.132   4.696   8.606
   27    H3*    A   3           H3*        A   3   6.476   3.986   9.825
   28    H2*    A   3           H2*        A   3   5.373   5.415   8.328
   29   2HO*    A   3          2HO*        A   3   6.643   7.249   8.565
   30    H1*    A   3           H1*        A   3   6.983   4.967   6.135
   31    H8     A   3           H8         A   3   5.997   1.684   7.631
   32   1H6     A   3          1H6         A   3   0.598   2.197   4.751
   33   2H6     A   3          2H6         A   3   1.672   1.123   5.621
   34    H2     A   3           H2         A   3   2.691   6.181   4.514
   35   1H5*    C   4          1H5*        C   4   7.076   8.143  10.939
   36   2H5*    C   4          2H5*        C   4   6.156   8.698  12.352
   37    H4*    C   4           H4*        C   4   5.280   9.636  10.228
   38    H3*    C   4           H3*        C   4   3.627   7.767  11.892
   39    H2*    C   4           H2*        C   4   1.859   7.821  10.457
   40   2HO*    C   4          2HO*        C   4   1.932  10.196  10.349
   41    H1*    C   4           H1*        C   4   3.267   8.096   8.062
   42   1H4     C   4          1H4         C   4   0.973   2.189   8.299
   43   2H4     C   4          2H4         C   4   2.244   1.698   9.399
   44    H5     C   4           H5         C   4   3.867   3.249  10.312
   45    H6     C   4           H6         C   4   4.578   5.597  10.379
   46   1H5*    T   5          1H5*        T   5   0.987  11.158  12.224
   47   2H5*    T   5          2H5*        T   5   0.307  11.162  13.865
   48    H4*    T   5           H4*        T   5  -1.440  10.800  12.162
   49    H3*    T   5           H3*        T   5  -0.753   8.656  14.149
   50   1H2*    T   5          1H2*        T   5  -2.156   7.112  13.224
   51   2H2*    T   5          2H2*        T   5  -3.171   8.397  12.431
   52    H1*    T   5           H1*        T   5  -2.042   7.871  10.556
   53    H3     T   5           H3         T   5  -0.453   3.683  10.354
   54   1H5M    T   5          1H5M        T   5   2.437   6.200  14.097
   55   2H5M    T   5          2H5M        T   5   2.842   4.567  13.516
   56   3H5M    T   5          3H5M        T   5   3.430   5.994  12.636
   57    H6     T   5           H6         T   5   0.872   7.588  12.799
   58   1H5*    T   6          1H5*        T   6  -4.719   8.737  14.304
   59   2H5*    T   6          2H5*        T   6  -5.546   8.205  15.779
   60    H4*    T   6           H4*        T   6  -5.561   6.612  13.730
   61    H3*    T   6           H3*        T   6  -5.586   6.086  16.495
   62   1H2*    T   6          1H2*        T   6  -3.473   5.221  16.717
   63   2H2*    T   6          2H2*        T   6  -4.257   3.727  16.010
   64    H1*    T   6           H1*        T   6  -3.343   4.093  13.947
   65    H3     T   6           H3         T   6   0.998   3.242  14.573
   66   1H5M    T   6          1H5M        T   6   0.396   8.044  16.594
   67   2H5M    T   6          2H5M        T   6   0.040   7.049  18.027
   68   3H5M    T   6          3H5M        T   6   1.640   6.953  17.252
   69    H6     T   6           H6         T   6  -1.898   6.733  16.146
   70   1H5*    C   7          1H5*        C   7  -7.428   3.471  13.198
   71   2H5*    C   7          2H5*        C   7  -8.657   2.294  13.701
   72    H4*    C   7           H4*        C   7  -7.539   1.681  11.564
   73    H3*    C   7           H3*        C   7  -7.962   0.007  13.837
   74    H1*    C   7           H1*        C   7  -4.861  -0.119  11.464
   75   1H4     C   7          1H4         C   7   0.606  -0.090  14.660
   76   2H4     C   7          2H4         C   7  -0.124   0.700  16.039
   77    H5     C   7           H5         C   7  -2.452   1.329  16.118
   78    H6     C   7           H6         C   7  -4.578   1.301  14.903
   79   1H2*    C   7          1H2*        C   7  -5.832  -0.558  14.264
   80   2H2*    C   7          2H2*        C   7  -5.999  -1.608  12.778
   81   1H5*    G   8          1H5*        G   8 -10.065   0.218   8.719
   82   2H5*    G   8          2H5*        G   8  -8.351   0.121   9.212
   83    H4*    G   8           H4*        G   8 -10.050   2.614   8.676
   84    H3*    G   8           H3*        G   8  -8.678   0.891   6.883
   85    H1*    G   8           H1*        G   8  -7.373   4.361   8.117
   86    H8     G   8           H8         G   8  -5.653   5.118  10.050
   87    H1     G   8           H1         G   8  -1.953   0.095   8.837
   88   1H2     G   8          1H2         G   8  -3.007  -1.330   7.530
   89   2H2     G   8          2H2         G   8  -4.634  -1.045   6.957
   90   1H2*    G   8          1H2*        G   8  -6.560   1.608   7.255
   91   2H2*    G   8          2H2*        G   8  -7.082   3.051   6.262
   92   1H5*    G   9          1H5*        G   9  -9.339   5.391   5.112
   93   2H5*    G   9          2H5*        G   9  -9.545   5.201   3.348
   94    H4*    G   9           H4*        G   9  -8.037   7.080   4.033
   95    H3*    G   9           H3*        G   9  -7.201   4.812   2.336
   96    H1*    G   9           H1*        G   9  -5.021   7.033   4.789
   97    H8     G   9           H8         G   9  -5.479   3.181   4.943
   98    H1     G   9           H1         G   9  -0.054   5.411   7.389
   99   1H2     G   9          1H2         G   9   0.044   7.599   7.118
  100   2H2     G   9          2H2         G   9  -1.243   8.498   6.337
  101   1H2*    G   9          1H2*        G   9  -5.027   4.855   2.852
  102   2H2*    G   9          2H2*        G   9  -4.986   6.651   2.593
  103   1H5*    T  10          1H5*        T  10  -5.294   8.940   1.618
  104   2H5*    T  10          2H5*        T  10  -5.025   9.213  -0.116
  105    H4*    T  10           H4*        T  10  -3.024   9.816   1.229
  106    H3*    T  10           H3*        T  10  -3.003   7.770  -0.883
  107   1H2*    T  10          1H2*        T  10  -1.331   6.553  -0.081
  108   2H2*    T  10          2H2*        T  10  -0.351   8.061   0.162
  109    H1*    T  10           H1*        T  10  -0.757   8.095   2.349
  110    H3     T  10           H3         T  10   0.654   4.235   4.077
  111   1H5M    T  10          1H5M        T  10  -2.938   1.849   2.369
  112   2H5M    T  10          2H5M        T  10  -3.444   2.875   1.006
  113   3H5M    T  10          3H5M        T  10  -4.182   3.095   2.609
  114    H6     T  10           H6         T  10  -3.124   5.415   1.370
  115   1H5*    C  11          1H5*        C  11   0.980  10.247   0.060
  116   2H5*    C  11          2H5*        C  11   1.724  10.530  -1.527
  117    H4*    C  11           H4*        C  11   3.418   9.770   0.085
  118    H3*    C  11           H3*        C  11   2.697   8.120  -2.270
  119    H1*    C  11           H1*        C  11   4.234   7.190   1.234
  120   1H4     C  11          1H4         C  11   1.908   1.417   2.402
  121   2H4     C  11          2H4         C  11   0.428   1.773   1.530
  122    H5     C  11           H5         C  11   0.051   3.867   0.373
  123    H6     C  11           H6         C  11   1.024   6.046  -0.183
  124   1H2*    C  11          1H2*        C  11   3.477   6.191  -1.418
  125   2H2*    C  11          2H2*        C  11   4.987   7.026  -0.860
  126   1H5*    C  12          1H5*        C  12   7.332   8.296  -0.928
  127   2H5*    C  12          2H5*        C  12   8.219   8.100  -2.450
  128    H4*    C  12           H4*        C  12   9.104   6.628  -0.670
  129    H3*    C  12           H3*        C  12   7.837   5.481  -3.134
  130    H1*    C  12           H1*        C  12   8.103   3.831   0.412
  131   1H4     C  12          1H4         C  12   2.789   0.431  -0.394
  132   2H4     C  12          2H4         C  12   2.146   1.611  -1.519
  133    H5     C  12           H5         C  12   3.346   3.570  -2.205
  134    H6     C  12           H6         C  12   5.422   4.858  -1.951
  135    H3T    C  12           H3T        C  12   9.919   6.499  -3.167
  136   1H2*    C  12          1H2*        C  12   7.932   3.344  -2.400
  137   2H2*    C  12          2H2*        C  12   9.422   3.671  -1.394
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1  10.871  -1.943   5.593
    2   2H5*    G   1          2H5*        G   1  10.094  -2.683   4.164
    3    H4*    G   1           H4*        G   1   9.703  -3.943   6.270
    4    H3*    G   1           H3*        G   1   7.416  -2.534   4.931
    5    H2*    G   1           H2*        G   1   5.939  -3.033   6.556
    6   2HO*    G   1          2HO*        G   1   6.265  -5.317   6.421
    7    H1*    G   1           H1*        G   1   7.713  -3.329   8.730
    8    H8     G   1           H8         G   1   7.957   0.107   7.428
    9    H1     G   1           H1         G   1   2.387  -0.905  10.339
   10   1H2     G   1          1H2         G   1   2.100  -3.075  10.679
   11   2H2     G   1          2H2         G   1   3.298  -4.253  10.181
   12    H5T    G   1           H5T        G   1   8.963  -0.544   5.666
   13   1H5*    G   2          1H5*        G   2   6.542  -7.375   6.077
   14   2H5*    G   2          2H5*        G   2   5.904  -7.707   4.441
   15    H4*    G   2           H4*        G   2   4.597  -8.843   6.196
   16    H3*    G   2           H3*        G   2   3.346  -6.494   4.785
   17    H2*    G   2           H2*        G   2   1.360  -6.735   5.962
   18   2HO*    G   2          2HO*        G   2   2.069  -9.308   6.007
   19    H1*    G   2           H1*        G   2   2.428  -7.119   8.418
   20    H8     G   2           H8         G   2   4.653  -4.831   6.554
   21    H1     G   2           H1         G   2  -0.608  -1.821   8.397
   22   1H2     G   2          1H2         G   2  -2.094  -3.250   9.162
   23   2H2     G   2          2H2         G   2  -1.783  -4.973   9.225
   24   1H5*    A   3          1H5*        A   3   0.527  -8.925   4.907
   25   2H5*    A   3          2H5*        A   3  -0.506  -9.106   3.476
   26    H4*    A   3           H4*        A   3  -1.805  -8.298   5.387
   27    H3*    A   3           H3*        A   3  -1.311  -6.399   3.105
   28    H2*    A   3           H2*        A   3  -2.727  -4.811   4.119
   29   2HO*    A   3          2HO*        A   3  -4.258  -6.632   4.711
   30    H1*    A   3           H1*        A   3  -1.914  -5.253   6.702
   31    H8     A   3           H8         A   3   1.197  -5.090   4.687
   32   1H6     A   3          1H6         A   3   0.618   1.028   4.551
   33   2H6     A   3          2H6         A   3   1.696  -0.319   4.263
   34    H2     A   3           H2         A   3  -3.259  -0.707   6.017
   35   1H5*    C   4          1H5*        C   4  -5.508  -7.261   2.648
   36   2H5*    C   4          2H5*        C   4  -6.081  -7.197   0.968
   37    H4*    C   4           H4*        C   4  -7.038  -5.346   2.257
   38    H3*    C   4           H3*        C   4  -4.958  -4.742   0.183
   39    H2*    C   4           H2*        C   4  -5.108  -2.484   0.527
   40   2HO*    C   4          2HO*        C   4  -7.625  -2.911   0.774
   41    H1*    C   4           H1*        C   4  -5.501  -2.550   3.266
   42   1H4     C   4          1H4         C   4   0.439  -0.720   2.028
   43   2H4     C   4          2H4         C   4   0.925  -2.363   1.674
   44    H5     C   4           H5         C   4  -0.651  -4.227   1.619
   45    H6     C   4           H6         C   4  -2.997  -4.862   1.936
   46   1H5*    T   5          1H5*        T   5  -6.757  -1.896  -0.823
   47   2H5*    T   5          2H5*        T   5  -6.837  -1.666  -2.580
   48    H4*    T   5           H4*        T   5  -5.400   0.032  -1.507
   49    H3*    T   5           H3*        T   5  -4.205  -1.991  -3.382
   50   1H2*    T   5          1H2*        T   5  -2.090  -1.129  -3.146
   51   2H2*    T   5          2H2*        T   5  -2.728   0.438  -2.485
   52    H1*    T   5           H1*        T   5  -2.183  -0.433  -0.486
   53    H3     T   5           H3         T   5   0.974  -3.666  -0.778
   54   1H5M    T   5          1H5M        T   5  -3.456  -6.000  -2.382
   55   2H5M    T   5          2H5M        T   5  -3.583  -6.156  -0.615
   56   3H5M    T   5          3H5M        T   5  -2.225  -6.916  -1.479
   57    H6     T   5           H6         T   5  -3.762  -3.528  -1.467
   58   1H5*    T   6          1H5*        T   6  -2.727   1.347  -4.714
   59   2H5*    T   6          2H5*        T   6  -2.215   1.438  -6.402
   60    H4*    T   6           H4*        T   6  -0.378   1.232  -4.568
   61    H3*    T   6           H3*        T   6  -0.449   0.379  -7.241
   62   1H2*    T   6          1H2*        T   6  -0.646  -1.886  -6.887
   63   2H2*    T   6          2H2*        T   6   1.157  -1.746  -6.593
   64    H1*    T   6           H1*        T   6   0.900  -1.867  -4.320
   65    H3     T   6           H3         T   6  -0.198  -6.155  -3.717
   66   1H5M    T   6          1H5M        T   6  -4.740  -3.896  -5.024
   67   2H5M    T   6          2H5M        T   6  -4.457  -5.609  -5.420
   68   3H5M    T   6          3H5M        T   6  -4.142  -4.349  -6.638
   69    H6     T   6           H6         T   6  -2.564  -2.416  -5.575
   70   1H5*    C   7          1H5*        C   7   0.305   3.439  -7.544
   71   2H5*    C   7          2H5*        C   7   1.475   4.768  -7.508
   72    H4*    C   7           H4*        C   7  -0.378   4.877  -5.762
   73    H3*    C   7           H3*        C   7   2.370   5.517  -5.546
   74    H1*    C   7           H1*        C   7   0.321   3.683  -2.738
   75   1H4     C   7          1H4         C   7   3.056  -1.779  -0.958
   76   2H4     C   7          2H4         C   7   4.017  -1.847  -2.419
   77    H5     C   7           H5         C   7   3.919  -0.158  -4.138
   78    H6     C   7           H6         C   7   2.863   1.934  -4.837
   79   1H2*    C   7          1H2*        C   7   3.004   3.960  -4.039
   80   2H2*    C   7          2H2*        C   7   2.152   5.048  -2.843
   81   1H5*    G   8          1H5*        G   8  -0.879   7.811  -4.751
   82   2H5*    G   8          2H5*        G   8  -0.642   9.530  -5.179
   83    H4*    G   8           H4*        G   8  -1.815  10.136  -3.111
   84    H3*    G   8           H3*        G   8  -0.980   7.577  -2.219
   85    H1*    G   8           H1*        G   8  -4.715   8.596  -2.845
   86    H8     G   8           H8         G   8  -5.346   8.351  -5.903
   87    H1     G   8           H1         G   8  -5.609   2.190  -4.307
   88   1H2     G   8          1H2         G   8  -4.573   1.872  -2.368
   89   2H2     G   8          2H2         G   8  -3.824   3.183  -1.488
   90   1H2*    G   8          1H2*        G   8  -2.742   6.346  -2.927
   91   2H2*    G   8          2H2*        G   8  -3.596   7.116  -1.506
   92   1H5*    G   9          1H5*        G   9  -3.219  10.431   0.323
   93   2H5*    G   9          2H5*        G   9  -2.950  11.028   1.982
   94    H4*    G   9           H4*        G   9  -4.713   9.169   1.532
   95    H3*    G   9           H3*        G   9  -2.627   9.255   3.641
   96    H1*    G   9           H1*        G   9  -4.492   6.259   1.907
   97    H8     G   9           H8         G   9  -0.675   6.635   1.649
   98    H1     G   9           H1         G   9  -2.759   0.653   2.297
   99   1H2     G   9          1H2         G   9  -4.944   0.674   2.664
  100   2H2     G   9          2H2         G   9  -5.861   2.169   2.729
  101   1H2*    G   9          1H2*        G   9  -2.503   7.038   3.918
  102   2H2*    G   9          2H2*        G   9  -4.307   6.936   4.022
  103   1H5*    T  10          1H5*        T  10  -6.772   7.113   4.585
  104   2H5*    T  10          2H5*        T  10  -7.164   7.664   6.227
  105    H4*    T  10           H4*        T  10  -7.547   5.233   5.992
  106    H3*    T  10           H3*        T  10  -5.590   6.371   7.878
  107   1H2*    T  10          1H2*        T  10  -4.282   4.588   8.040
  108   2H2*    T  10          2H2*        T  10  -5.738   3.513   8.198
  109    H1*    T  10           H1*        T  10  -5.576   2.849   6.082
  110    H3     T  10           H3         T  10  -1.497   1.251   5.296
  111   1H5M    T  10          1H5M        T  10   0.483   5.420   5.349
  112   2H5M    T  10          2H5M        T  10  -0.710   6.398   6.236
  113   3H5M    T  10          3H5M        T  10  -0.789   6.288   4.462
  114    H6     T  10           H6         T  10  -3.176   5.686   5.953
  115   1H5*    C  11          1H5*        C  11  -7.919   2.350   9.140
  116   2H5*    C  11          2H5*        C  11  -8.131   2.507  10.896
  117    H4*    C  11           H4*        C  11  -7.303   0.264  10.338
  118    H3*    C  11           H3*        C  11  -5.603   2.155  11.886
  119    H1*    C  11           H1*        C  11  -4.707  -0.937   9.617
  120   1H4     C  11          1H4         C  11   0.979   0.770   7.390
  121   2H4     C  11          2H4         C  11   0.547   2.470   7.442
  122    H5     C  11           H5         C  11  -1.569   3.267   8.278
  123    H6     C  11           H6         C  11  -3.714   2.597   9.259
  124   1H2*    C  11          1H2*        C  11  -3.695   1.021  11.533
  125   2H2*    C  11          2H2*        C  11  -4.533  -0.561  11.811
  126   1H5*    C  12          1H5*        C  12  -5.846  -2.389  13.099
  127   2H5*    C  12          2H5*        C  12  -5.527  -2.516  14.838
  128    H4*    C  12           H4*        C  12  -4.234  -4.163  13.479
  129    H3*    C  12           H3*        C  12  -2.941  -2.100  15.212
  130    H1*    C  12           H1*        C  12  -1.434  -3.755  11.975
  131   1H4     C  12          1H4         C  12   1.970   1.392  10.465
  132   2H4     C  12          2H4         C  12   0.778   2.452  11.191
  133    H5     C  12           H5         C  12  -1.170   1.653  12.342
  134    H6     C  12           H6         C  12  -2.447  -0.340  13.000
  135    H3T    C  12           H3T        C  12  -2.962  -4.961  15.188
  136   1H2*    C  12          1H2*        C  12  -0.851  -2.452  14.451
  137   2H2*    C  12          2H2*        C  12  -1.176  -4.223  14.151
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1  10.284   4.068   7.270
    2   2H5*    G   1          2H5*        G   1  10.141   3.013   5.836
    3    H4*    G   1           H4*        G   1   9.958   1.777   7.974
    4    H3*    G   1           H3*        G   1   7.536   2.047   6.223
    5    H2*    G   1           H2*        G   1   6.153   1.038   7.687
    6   2HO*    G   1          2HO*        G   1   7.401  -0.902   7.827
    7    H1*    G   1           H1*        G   1   7.518   1.592  10.091
    8    H8     G   1           H8         G   1   6.589   4.775   8.504
    9    H1     G   1           H1         G   1   1.480   1.701  10.739
   10   1H2     G   1          1H2         G   1   2.014  -0.389  11.235
   11   2H2     G   1          2H2         G   1   3.640  -1.003  11.009
   12    H5T    G   1           H5T        G   1   8.945   4.949   5.613
   13   1H5*    G   2          1H5*        G   2   8.625  -2.548   7.784
   14   2H5*    G   2          2H5*        G   2   8.480  -3.274   6.158
   15    H4*    G   2           H4*        G   2   7.563  -4.746   7.903
   16    H3*    G   2           H3*        G   2   5.627  -3.359   6.061
   17    H2*    G   2           H2*        G   2   3.805  -4.405   7.047
   18   2HO*    G   2          2HO*        G   2   5.498  -6.375   7.435
   19    H1*    G   2           H1*        G   2   4.539  -4.070   9.632
   20    H8     G   2           H8         G   2   5.741  -1.146   7.701
   21    H1     G   2           H1         G   2  -0.520  -0.816   8.632
   22   1H2     G   2          1H2         G   2  -1.284  -2.722   9.429
   23   2H2     G   2          2H2         G   2  -0.236  -4.088   9.741
   24   1H5*    A   3          1H5*        A   3   4.216  -6.811   6.147
   25   2H5*    A   3          2H5*        A   3   3.593  -7.507   4.639
   26    H4*    A   3           H4*        A   3   1.806  -7.250   6.304
   27    H3*    A   3           H3*        A   3   1.749  -5.506   3.851
   28    H2*    A   3           H2*        A   3  -0.335  -4.636   4.511
   29   2HO*    A   3          2HO*        A   3  -1.380  -6.557   5.042
   30    H1*    A   3           H1*        A   3   0.176  -4.513   7.205
   31    H8     A   3           H8         A   3   3.155  -3.091   5.522
   32   1H6     A   3          1H6         A   3  -0.014   2.083   4.542
   33   2H6     A   3          2H6         A   3   1.572   1.344   4.545
   34    H2     A   3           H2         A   3  -2.918  -1.111   5.813
   35   1H5*    C   4          1H5*        C   4  -1.362  -8.450   3.413
   36   2H5*    C   4          2H5*        C   4  -1.945  -8.857   1.786
   37    H4*    C   4           H4*        C   4  -3.645  -7.596   3.044
   38    H3*    C   4           H3*        C   4  -2.302  -6.371   0.664
   39    H2*    C   4           H2*        C   4  -3.454  -4.409   0.841
   40   2HO*    C   4          2HO*        C   4  -5.490  -5.753   1.236
   41    H1*    C   4           H1*        C   4  -3.639  -4.263   3.595
   42   1H4     C   4          1H4         C   4   0.773  -0.090   1.701
   43   2H4     C   4          2H4         C   4   1.963  -1.370   1.587
   44    H5     C   4           H5         C   4   1.424  -3.703   1.901
   45    H6     C   4           H6         C   4  -0.376  -5.295   2.400
   46   1H5*    T   5          1H5*        T   5  -6.453  -5.675  -0.262
   47   2H5*    T   5          2H5*        T   5  -6.644  -6.043  -1.988
   48    H4*    T   5           H4*        T   5  -7.379  -3.757  -1.510
   49    H3*    T   5           H3*        T   5  -4.913  -4.220  -3.161
   50   1H2*    T   5          1H2*        T   5  -4.460  -1.986  -3.379
   51   2H2*    T   5          2H2*        T   5  -6.168  -1.526  -2.958
   52    H1*    T   5           H1*        T   5  -5.325  -1.088  -0.918
   53    H3     T   5           H3         T   5  -0.920  -0.179  -0.795
   54   1H5M    T   5          1H5M        T   5   0.211  -4.658  -1.296
   55   2H5M    T   5          2H5M        T   5  -1.323  -5.415  -1.790
   56   3H5M    T   5          3H5M        T   5  -0.940  -5.219  -0.065
   57    H6     T   5           H6         T   5  -3.450  -4.223  -1.299
   58   1H5*    T   6          1H5*        T   6  -6.736  -1.622  -5.310
   59   2H5*    T   6          2H5*        T   6  -6.400  -1.533  -7.046
   60    H4*    T   6           H4*        T   6  -5.288   0.214  -5.465
   61    H3*    T   6           H3*        T   6  -4.436  -0.959  -7.907
   62   1H2*    T   6          1H2*        T   6  -2.588  -2.065  -7.136
   63   2H2*    T   6          2H2*        T   6  -1.856  -0.392  -7.089
   64    H1*    T   6           H1*        T   6  -2.117  -0.222  -4.827
   65    H3     T   6           H3         T   6   1.123  -3.070  -3.615
   66   1H5M    T   6          1H5M        T   6  -2.540  -6.235  -5.625
   67   2H5M    T   6          2H5M        T   6  -3.153  -6.067  -3.963
   68   3H5M    T   6          3H5M        T   6  -1.550  -6.786  -4.252
   69    H6     T   6           H6         T   6  -3.354  -3.691  -5.241
   70   1H5*    C   7          1H5*        C   7  -2.557   3.020  -5.944
   71   2H5*    C   7          2H5*        C   7  -2.205   4.120  -7.290
   72    H4*    C   7           H4*        C   7  -0.679   4.449  -5.365
   73    H3*    C   7           H3*        C   7   0.057   4.135  -8.095
   74    H1*    C   7           H1*        C   7   2.090   2.824  -5.038
   75   1H4     C   7          1H4         C   7   3.504  -3.336  -5.334
   76   2H4     C   7          2H4         C   7   2.346  -3.607  -6.617
   77    H5     C   7           H5         C   7   0.966  -1.864  -7.536
   78    H6     C   7           H6         C   7   0.397   0.512  -7.417
   79   1H2*    C   7          1H2*        C   7   1.375   2.318  -7.900
   80   2H2*    C   7          2H2*        C   7   2.568   3.493  -7.167
   81   1H5*    G   8          1H5*        G   8  -0.861   8.651  -5.429
   82   2H5*    G   8          2H5*        G   8  -0.010   7.231  -4.760
   83    H4*    G   8           H4*        G   8  -3.021   7.678  -5.122
   84    H3*    G   8           H3*        G   8  -1.245   8.457  -3.028
   85    H1*    G   8           H1*        G   8  -3.740   5.468  -2.935
   86    H8     G   8           H8         G   8  -3.739   3.095  -2.007
   87    H1     G   8           H1         G   8   2.558   2.363  -2.542
   88   1H2     G   8          1H2         G   8   3.466   4.207  -3.363
   89   2H2     G   8          2H2         G   8   2.514   5.609  -3.787
   90   1H2*    G   8          1H2*        G   8  -1.077   6.458  -1.970
   91   2H2*    G   8          2H2*        G   8  -2.764   6.843  -1.384
   92   1H5*    G   9          1H5*        G   9  -5.958   8.015  -1.915
   93   2H5*    G   9          2H5*        G   9  -6.341   9.085  -0.538
   94    H4*    G   9           H4*        G   9  -7.334   6.760  -0.455
   95    H3*    G   9           H3*        G   9  -5.625   7.953   1.642
   96    H1*    G   9           H1*        G   9  -6.134   4.152   0.663
   97    H8     G   9           H8         G   9  -2.773   6.032   0.456
   98    H1     G   9           H1         G   9  -2.356  -0.149   1.905
   99   1H2     G   9          1H2         G   9  -4.393  -0.976   2.200
  100   2H2     G   9          2H2         G   9  -5.832   0.009   2.012
  101   1H2*    G   9          1H2*        G   9  -4.814   6.030   2.460
  102   2H2*    G   9          2H2*        G   9  -6.486   5.336   2.506
  103   1H5*    T  10          1H5*        T  10  -8.878   4.781   2.777
  104   2H5*    T  10          2H5*        T  10  -9.659   5.340   4.270
  105    H4*    T  10           H4*        T  10  -9.134   2.912   4.358
  106    H3*    T  10           H3*        T  10  -8.075   4.879   6.269
  107   1H2*    T  10          1H2*        T  10  -6.232   3.777   6.832
  108   2H2*    T  10          2H2*        T  10  -7.196   2.250   7.014
  109    H1*    T  10           H1*        T  10  -6.486   1.462   5.064
  110    H3     T  10           H3         T  10  -2.034   1.438   4.996
  111   1H5M    T  10          1H5M        T  10  -1.719   6.018   4.471
  112   2H5M    T  10          2H5M        T  10  -3.286   6.574   5.111
  113   3H5M    T  10          3H5M        T  10  -3.103   6.230   3.375
  114    H6     T  10           H6         T  10  -5.273   4.954   4.710
  115   1H5*    C  11          1H5*        C  11  -8.815   0.304   7.793
  116   2H5*    C  11          2H5*        C  11  -9.364   0.550   9.462
  117    H4*    C  11           H4*        C  11  -7.662  -1.208   9.400
  118    H3*    C  11           H3*        C  11  -7.065   1.389  10.739
  119    H1*    C  11           H1*        C  11  -4.691  -1.325   9.149
  120   1H4     C  11          1H4         C  11   0.114   2.392   7.344
  121   2H4     C  11          2H4         C  11  -0.961   3.756   7.096
  122    H5     C  11           H5         C  11  -3.326   3.669   7.562
  123    H6     C  11           H6         C  11  -5.154   2.252   8.372
  124   1H2*    C  11          1H2*        C  11  -4.845   1.035  10.838
  125   2H2*    C  11          2H2*        C  11  -5.086  -0.712  11.255
  126   1H5*    C  12          1H5*        C  12  -5.865  -2.692  12.647
  127   2H5*    C  12          2H5*        C  12  -5.791  -2.529  14.412
  128    H4*    C  12           H4*        C  12  -3.800  -3.695  13.447
  129    H3*    C  12           H3*        C  12  -3.620  -1.144  14.995
  130    H1*    C  12           H1*        C  12  -1.135  -2.334  12.195
  131   1H4     C  12          1H4         C  12   0.168   3.670  10.559
  132   2H4     C  12          2H4         C  12  -1.438   4.196  11.027
  133    H5     C  12           H5         C  12  -3.070   2.731  12.007
  134    H6     C  12           H6         C  12  -3.543   0.425  12.708
  135    H3T    C  12           H3T        C  12  -2.624  -2.614  16.456
  136   1H2*    C  12          1H2*        C  12  -1.440  -0.776  14.552
  137   2H2*    C  12          2H2*        C  12  -1.081  -2.562  14.426
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1  10.380   2.822   7.952
    2   2H5*    G   1          2H5*        G   1  10.218   1.455   6.815
    3    H4*    G   1           H4*        G   1   9.782   0.811   9.162
    4    H3*    G   1           H3*        G   1   7.509   0.855   7.206
    5    H2*    G   1           H2*        G   1   5.942   0.363   8.744
    6   2HO*    G   1          2HO*        G   1   6.937  -1.579   9.458
    7    H1*    G   1           H1*        G   1   7.197   1.382  11.050
    8    H8     G   1           H8         G   1   6.750   4.150   8.696
    9    H1     G   1           H1         G   1   1.152   2.137  10.964
   10   1H2     G   1          1H2         G   1   1.409   0.186  11.982
   11   2H2     G   1          2H2         G   1   2.972  -0.598  12.090
   12    H5T    G   1           H5T        G   1   9.234   3.337   6.005
   13   1H5*    G   2          1H5*        G   2   7.864  -3.252   9.987
   14   2H5*    G   2          2H5*        G   2   7.883  -4.318   8.553
   15    H4*    G   2           H4*        G   2   6.584  -5.305  10.389
   16    H3*    G   2           H3*        G   2   5.114  -4.231   8.002
   17    H2*    G   2           H2*        G   2   3.041  -4.795   8.845
   18   2HO*    G   2          2HO*        G   2   4.129  -6.892   9.714
   19    H1*    G   2           H1*        G   2   3.439  -4.053  11.440
   20    H8     G   2           H8         G   2   5.217  -1.688   9.197
   21    H1     G   2           H1         G   2  -1.018  -0.515   9.287
   22   1H2     G   2          1H2         G   2  -2.094  -2.154  10.313
   23   2H2     G   2          2H2         G   2  -1.265  -3.541  10.981
   24   1H5*    A   3          1H5*        A   3   3.223  -7.509   8.234
   25   2H5*    A   3          2H5*        A   3   2.855  -8.270   6.676
   26    H4*    A   3           H4*        A   3   0.807  -7.514   7.811
   27    H3*    A   3           H3*        A   3   1.623  -6.047   5.302
   28    H2*    A   3           H2*        A   3  -0.405  -4.859   5.380
   29   2HO*    A   3          2HO*        A   3  -1.411  -7.072   6.173
   30    H1*    A   3           H1*        A   3  -0.519  -4.593   8.129
   31    H8     A   3           H8         A   3   2.889  -3.594   7.045
   32   1H6     A   3          1H6         A   3   0.541   1.745   5.049
   33   2H6     A   3          2H6         A   3   2.013   0.866   5.413
   34    H2     A   3           H2         A   3  -2.877  -1.033   5.972
   35   1H5*    C   4          1H5*        C   4  -2.440  -7.429   4.769
   36   2H5*    C   4          2H5*        C   4  -2.580  -8.211   3.181
   37    H4*    C   4           H4*        C   4  -4.376  -6.555   3.529
   38    H3*    C   4           H3*        C   4  -2.277  -6.157   1.425
   39    H2*    C   4           H2*        C   4  -3.033  -4.093   0.801
   40   2HO*    C   4          2HO*        C   4  -5.423  -5.205   1.388
   41    H1*    C   4           H1*        C   4  -3.956  -3.178   3.250
   42   1H4     C   4          1H4         C   4   1.473  -0.116   2.098
   43   2H4     C   4          2H4         C   4   2.413  -1.542   2.479
   44    H5     C   4           H5         C   4   1.413  -3.683   2.977
   45    H6     C   4           H6         C   4  -0.710  -4.899   3.226
   46   1H5*    T   5          1H5*        T   5  -5.147  -4.514  -0.530
   47   2H5*    T   5          2H5*        T   5  -5.263  -5.176  -2.173
   48    H4*    T   5           H4*        T   5  -4.801  -2.799  -2.314
   49    H3*    T   5           H3*        T   5  -2.600  -4.706  -3.039
   50   1H2*    T   5          1H2*        T   5  -1.101  -3.040  -3.432
   51   2H2*    T   5          2H2*        T   5  -2.414  -1.836  -3.783
   52    H1*    T   5           H1*        T   5  -2.134  -1.076  -1.700
   53    H3     T   5           H3         T   5   2.132  -1.331  -0.315
   54   1H5M    T   5          1H5M        T   5   1.706  -5.785   0.861
   55   2H5M    T   5          2H5M        T   5   0.596  -6.338  -0.416
   56   3H5M    T   5          3H5M        T   5  -0.044  -5.860   1.175
   57    H6     T   5           H6         T   5  -1.404  -4.542  -0.763
   58   1H5*    T   6          1H5*        T   6  -3.106  -1.989  -6.119
   59   2H5*    T   6          2H5*        T   6  -2.820  -2.513  -7.789
   60    H4*    T   6           H4*        T   6  -1.323  -0.629  -6.971
   61    H3*    T   6           H3*        T   6  -0.708  -2.846  -8.595
   62   1H2*    T   6          1H2*        T   6   0.654  -3.990  -7.150
   63   2H2*    T   6          2H2*        T   6   1.882  -2.743  -7.690
   64    H1*    T   6           H1*        T   6   1.667  -1.538  -5.757
   65    H3     T   6           H3         T   6   3.689  -4.185  -2.779
   66   1H5M    T   6          1H5M        T   6  -1.128  -6.160  -3.000
   67   2H5M    T   6          2H5M        T   6   0.245  -7.258  -2.724
   68   3H5M    T   6          3H5M        T   6  -0.417  -7.055  -4.364
   69    H6     T   6           H6         T   6  -0.499  -4.500  -5.101
   70   1H5*    C   7          1H5*        C   7   0.126   1.623 -11.546
   71   2H5*    C   7          2H5*        C   7   1.496   2.320 -10.656
   72    H4*    C   7           H4*        C   7  -0.011   4.107 -11.333
   73    H3*    C   7           H3*        C   7   0.679   3.559  -8.614
   74    H1*    C   7           H1*        C   7  -2.652   5.031  -9.981
   75   1H4     C   7          1H4         C   7  -7.780   2.302  -7.417
   76   2H4     C   7          2H4         C   7  -7.006   0.735  -7.398
   77    H5     C   7           H5         C   7  -4.727   0.384  -8.101
   78    H6     C   7           H6         C   7  -2.707   1.454  -8.981
   79   1H2*    C   7          1H2*        C   7  -1.393   3.426  -7.780
   80   2H2*    C   7          2H2*        C   7  -1.453   5.228  -8.051
   81   1H5*    G   8          1H5*        G   8   0.941   7.820  -5.692
   82   2H5*    G   8          2H5*        G   8   0.708   6.052  -5.586
   83    H4*    G   8           H4*        G   8  -1.383   8.302  -5.617
   84    H3*    G   8           H3*        G   8   0.064   7.172  -3.473
   85    H1*    G   8           H1*        G   8  -3.600   6.279  -4.370
   86    H8     G   8           H8         G   8  -4.730   4.369  -5.998
   87    H1     G   8           H1         G   8  -0.925   0.013  -3.325
   88   1H2     G   8          1H2         G   8   0.699   0.995  -2.224
   89   2H2     G   8          2H2         G   8   0.861   2.737  -2.145
   90   1H2*    G   8          1H2*        G   8  -0.989   5.145  -3.406
   91   2H2*    G   8          2H2*        G   8  -2.261   6.107  -2.509
   92   1H5*    G   9          1H5*        G   9  -3.730   9.177  -2.260
   93   2H5*    G   9          2H5*        G   9  -4.041   9.964  -0.688
   94    H4*    G   9           H4*        G   9  -5.476   7.923  -1.359
   95    H3*    G   9           H3*        G   9  -4.147   8.471   1.193
   96    H1*    G   9           H1*        G   9  -4.861   4.948  -0.495
   97    H8     G   9           H8         G   9  -1.299   6.272  -0.295
   98    H1     G   9           H1         G   9  -1.955   0.234   1.581
   99   1H2     G   9          1H2         G   9  -4.106  -0.287   1.636
  100   2H2     G   9          2H2         G   9  -5.355   0.865   1.200
  101   1H2*    G   9          1H2*        G   9  -3.606   6.372   1.726
  102   2H2*    G   9          2H2*        G   9  -5.322   5.886   1.462
  103   1H5*    T  10          1H5*        T  10  -7.708   5.291   1.540
  104   2H5*    T  10          2H5*        T  10  -8.676   6.009   2.843
  105    H4*    T  10           H4*        T  10  -8.415   3.590   3.210
  106    H3*    T  10           H3*        T  10  -7.329   5.582   5.086
  107   1H2*    T  10          1H2*        T  10  -5.724   4.315   5.932
  108   2H2*    T  10          2H2*        T  10  -6.901   2.950   6.136
  109    H1*    T  10           H1*        T  10  -6.144   1.893   4.323
  110    H3     T  10           H3         T  10  -1.769   1.237   5.069
  111   1H5M    T  10          1H5M        T  10  -1.883   5.828   2.642
  112   2H5M    T  10          2H5M        T  10  -0.671   5.585   3.920
  113   3H5M    T  10          3H5M        T  10  -2.188   6.442   4.284
  114    H6     T  10           H6         T  10  -4.345   5.058   3.745
  115   1H5*    C  11          1H5*        C  11  -8.882   1.451   6.941
  116   2H5*    C  11          2H5*        C  11  -9.626   1.918   8.483
  117    H4*    C  11           H4*        C  11  -8.147  -0.026   8.794
  118    H3*    C  11           H3*        C  11  -7.550   2.578  10.088
  119    H1*    C  11           H1*        C  11  -5.246  -0.450   9.074
  120   1H4     C  11          1H4         C  11   0.237   2.346   7.606
  121   2H4     C  11          2H4         C  11  -0.588   3.773   7.004
  122    H5     C  11           H5         C  11  -2.985   4.049   7.104
  123    H6     C  11           H6         C  11  -5.089   3.008   7.820
  124   1H2*    C  11          1H2*        C  11  -5.376   2.132  10.444
  125   2H2*    C  11          2H2*        C  11  -5.788   0.467  11.027
  126   1H5*    C  12          1H5*        C  12  -6.687  -1.522  12.574
  127   2H5*    C  12          2H5*        C  12  -6.976  -1.019  14.249
  128    H4*    C  12           H4*        C  12  -4.870  -2.303  14.007
  129    H3*    C  12           H3*        C  12  -4.864   0.559  14.894
  130    H1*    C  12           H1*        C  12  -1.972  -1.342  13.056
  131   1H4     C  12          1H4         C  12   0.139   3.992  10.316
  132   2H4     C  12          2H4         C  12  -1.451   4.722  10.402
  133    H5     C  12           H5         C  12  -3.340   3.653  11.402
  134    H6     C  12           H6         C  12  -4.161   1.614  12.502
  135    H3T    C  12           H3T        C  12  -5.593  -1.185  16.246
  136   1H2*    C  12          1H2*        C  12  -2.610   0.749  14.883
  137   2H2*    C  12          2H2*        C  12  -2.379  -1.028  15.240
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1  10.748   2.733   4.869
    2   2H5*    G   1          2H5*        G   1  10.261   1.352   3.847
    3    H4*    G   1           H4*        G   1  10.446   0.770   6.249
    4    H3*    G   1           H3*        G   1   7.745   0.824   4.946
    5    H2*    G   1           H2*        G   1   6.625   0.390   6.851
    6   2HO*    G   1          2HO*        G   1   7.740  -1.554   7.335
    7    H1*    G   1           H1*        G   1   8.451   1.437   8.722
    8    H8     G   1           H8         G   1   7.444   4.162   6.496
    9    H1     G   1           H1         G   1   2.600   2.312  10.186
   10   1H2     G   1          1H2         G   1   3.083   0.378  11.152
   11   2H2     G   1          2H2         G   1   4.609  -0.436  10.872
   12    H5T    G   1           H5T        G   1   8.478   3.351   4.822
   13   1H5*    G   2          1H5*        G   2   8.719  -3.280   7.623
   14   2H5*    G   2          2H5*        G   2   8.348  -4.339   6.232
   15    H4*    G   2           H4*        G   2   7.524  -5.297   8.337
   16    H3*    G   2           H3*        G   2   5.526  -4.169   6.399
   17    H2*    G   2           H2*        G   2   3.722  -4.690   7.747
   18   2HO*    G   2          2HO*        G   2   4.983  -6.808   8.327
   19    H1*    G   2           H1*        G   2   4.785  -3.957  10.146
   20    H8     G   2           H8         G   2   5.995  -1.645   7.497
   21    H1     G   2           H1         G   2   0.026  -0.306   9.174
   22   1H2     G   2          1H2         G   2  -0.786  -1.900  10.470
   23   2H2     G   2          2H2         G   2   0.155  -3.302  10.924
   24   1H5*    A   3          1H5*        A   3   3.678  -7.350   7.209
   25   2H5*    A   3          2H5*        A   3   2.879  -8.150   5.843
   26    H4*    A   3           H4*        A   3   1.230  -7.308   7.453
   27    H3*    A   3           H3*        A   3   1.385  -5.918   4.780
   28    H2*    A   3           H2*        A   3  -0.505  -4.652   5.358
   29   2HO*    A   3          2HO*        A   3  -1.420  -6.763   6.355
   30    H1*    A   3           H1*        A   3   0.108  -4.344   8.039
   31    H8     A   3           H8         A   3   3.131  -3.465   6.071
   32   1H6     A   3          1H6         A   3   0.464   1.904   4.634
   33   2H6     A   3          2H6         A   3   1.961   0.994   4.623
   34    H2     A   3           H2         A   3  -2.650  -0.757   6.491
   35   1H5*    C   4          1H5*        C   4  -2.706  -7.220   5.213
   36   2H5*    C   4          2H5*        C   4  -3.219  -8.006   3.705
   37    H4*    C   4           H4*        C   4  -4.841  -6.298   4.392
   38    H3*    C   4           H3*        C   4  -3.184  -5.863   1.923
   39    H2*    C   4           H2*        C   4  -4.150  -3.827   1.485
   40   2HO*    C   4          2HO*        C   4  -6.309  -5.015   2.439
   41    H1*    C   4           H1*        C   4  -4.478  -2.957   4.089
   42   1H4     C   4          1H4         C   4   0.512   0.176   1.726
   43   2H4     C   4          2H4         C   4   1.533  -1.236   1.899
   44    H5     C   4           H5         C   4   0.699  -3.384   2.626
   45    H6     C   4           H6         C   4  -1.299  -4.627   3.338
   46   1H5*    T   5          1H5*        T   5  -6.587  -4.576   0.649
   47   2H5*    T   5          2H5*        T   5  -6.970  -5.081  -1.009
   48    H4*    T   5           H4*        T   5  -6.769  -2.647  -0.888
   49    H3*    T   5           H3*        T   5  -4.732  -4.240  -2.401
   50   1H2*    T   5          1H2*        T   5  -3.433  -2.431  -2.890
   51   2H2*    T   5          2H2*        T   5  -4.826  -1.284  -2.688
   52    H1*    T   5           H1*        T   5  -3.975  -0.826  -0.672
   53    H3     T   5           H3         T   5   0.498  -1.293  -0.517
   54   1H5M    T   5          1H5M        T   5  -1.241  -5.843   1.161
   55   2H5M    T   5          2H5M        T   5   0.193  -5.870   0.109
   56   3H5M    T   5          3H5M        T   5  -1.412  -6.245  -0.563
   57    H6     T   5           H6         T   5  -3.171  -4.376  -0.368
   58   1H5*    T   6          1H5*        T   6  -5.731  -1.416  -4.926
   59   2H5*    T   6          2H5*        T   6  -5.686  -1.706  -6.673
   60    H4*    T   6           H4*        T   6  -3.868  -0.200  -5.749
   61    H3*    T   6           H3*        T   6  -3.765  -2.154  -7.777
   62   1H2*    T   6          1H2*        T   6  -2.478  -3.709  -6.703
   63   2H2*    T   6          2H2*        T   6  -1.119  -2.591  -7.212
   64    H1*    T   6           H1*        T   6  -0.934  -1.686  -5.117
   65    H3     T   6           H3         T   6   1.025  -5.037  -2.913
   66   1H5M    T   6          1H5M        T   6  -2.831  -7.578  -2.751
   67   2H5M    T   6          2H5M        T   6  -3.583  -7.101  -4.293
   68   3H5M    T   6          3H5M        T   6  -4.063  -6.293  -2.781
   69    H6     T   6           H6         T   6  -3.429  -4.408  -4.597
   70   1H5*    C   7          1H5*        C   7  -1.788   2.248  -4.444
   71   2H5*    C   7          2H5*        C   7  -2.662   3.038  -5.776
   72    H4*    C   7           H4*        C   7  -0.693   4.349  -5.089
   73    H3*    C   7           H3*        C   7  -1.284   3.430  -7.737
   74    H1*    C   7           H1*        C   7   2.280   3.906  -6.186
   75   1H4     C   7          1H4         C   7   5.788  -1.227  -7.544
   76   2H4     C   7          2H4         C   7   4.476  -2.286  -7.082
   77    H5     C   7           H5         C   7   2.304  -1.484  -6.430
   78    H6     C   7           H6         C   7   0.923   0.506  -6.083
   79   1H2*    C   7          1H2*        C   7   0.646   2.426  -8.214
   80   2H2*    C   7          2H2*        C   7   1.344   4.114  -8.268
   81   1H5*    G   8          1H5*        G   8  -2.156   8.553  -6.347
   82   2H5*    G   8          2H5*        G   8  -1.369   8.242  -4.774
   83    H4*    G   8           H4*        G   8  -3.572   9.409  -4.606
   84    H3*    G   8           H3*        G   8  -2.789   7.116  -3.165
   85    H1*    G   8           H1*        G   8  -6.406   7.628  -4.600
   86    H8     G   8           H8         G   8  -6.550   6.993  -7.615
   87    H1     G   8           H1         G   8  -6.257   1.016  -5.449
   88   1H2     G   8          1H2         G   8  -5.486   1.009  -3.362
   89   2H2     G   8          2H2         G   8  -5.052   2.483  -2.529
   90   1H2*    G   8          1H2*        G   8  -4.266   5.618  -4.030
   91   2H2*    G   8          2H2*        G   8  -5.434   6.448  -2.898
   92   1H5*    G   9          1H5*        G   9  -5.816   9.505  -1.244
   93   2H5*    G   9          2H5*        G   9  -5.916  10.260   0.370
   94    H4*    G   9           H4*        G   9  -7.102   8.016   0.007
   95    H3*    G   9           H3*        G   9  -5.203   8.698   2.175
   96    H1*    G   9           H1*        G   9  -6.123   5.232   0.546
   97    H8     G   9           H8         G   9  -2.632   6.609   0.018
   98    H1     G   9           H1         G   9  -2.776   0.555   1.979
   99   1H2     G   9          1H2         G   9  -4.866   0.013   2.504
  100   2H2     G   9          2H2         G   9  -6.189   1.157   2.348
  101   1H2*    G   9          1H2*        G   9  -4.487   6.621   2.538
  102   2H2*    G   9          2H2*        G   9  -6.192   6.036   2.616
  103   1H5*    T  10          1H5*        T  10  -8.505   5.354   3.386
  104   2H5*    T  10          2H5*        T  10  -9.101   6.106   4.881
  105    H4*    T  10           H4*        T  10  -8.728   3.701   5.231
  106    H3*    T  10           H3*        T  10  -7.203   5.753   6.690
  107   1H2*    T  10          1H2*        T  10  -5.415   4.519   7.115
  108   2H2*    T  10          2H2*        T  10  -6.479   3.155   7.662
  109    H1*    T  10           H1*        T  10  -6.215   2.048   5.743
  110    H3     T  10           H3         T  10  -1.797   1.437   5.299
  111   1H5M    T  10          1H5M        T  10  -2.610   5.982   2.906
  112   2H5M    T  10          2H5M        T  10  -1.090   5.756   3.799
  113   3H5M    T  10          3H5M        T  10  -2.450   6.616   4.561
  114    H6     T  10           H6         T  10  -4.677   5.209   4.623
  115   1H5*    C  11          1H5*        C  11  -8.158   1.672   9.003
  116   2H5*    C  11          2H5*        C  11  -8.472   2.183  10.674
  117    H4*    C  11           H4*        C  11  -6.947   0.259  10.650
  118    H3*    C  11           H3*        C  11  -6.025   2.910  11.619
  119    H1*    C  11           H1*        C  11  -4.092  -0.186  10.149
  120   1H4     C  11          1H4         C  11   0.816   2.482   7.177
  121   2H4     C  11          2H4         C  11  -0.130   3.903   6.770
  122    H5     C  11           H5         C  11  -2.415   4.216   7.493
  123    H6     C  11           H6         C  11  -4.261   3.225   8.770
  124   1H2*    C  11          1H2*        C  11  -3.837   2.448  11.399
  125   2H2*    C  11          2H2*        C  11  -4.080   0.812  12.140
  126   1H5*    C  12          1H5*        C  12  -4.589  -1.059  13.967
  127   2H5*    C  12          2H5*        C  12  -4.384  -0.506  15.639
  128    H4*    C  12           H4*        C  12  -2.460  -1.858  14.853
  129    H3*    C  12           H3*        C  12  -2.138   1.026  15.612
  130    H1*    C  12           H1*        C  12   0.071  -1.004  13.094
  131   1H4     C  12          1H4         C  12   1.456   4.218   9.745
  132   2H4     C  12          2H4         C  12  -0.046   4.982  10.226
  133    H5     C  12           H5         C  12  -1.614   3.979  11.726
  134    H6     C  12           H6         C  12  -2.136   1.988  13.069
  135    H3T    C  12           H3T        C  12  -2.494  -0.614  17.195
  136   1H2*    C  12          1H2*        C  12   0.030   1.136  14.971
  137   2H2*    C  12          2H2*        C  12   0.300  -0.642  15.296
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1  10.686   1.641   6.945
    2   2H5*    G   1          2H5*        G   1  10.357   0.401   5.701
    3    H4*    G   1           H4*        G   1  10.914  -0.580   7.902
    4    H3*    G   1           H3*        G   1   8.119  -0.810   6.832
    5    H2*    G   1           H2*        G   1   7.334  -1.896   8.706
    6   2HO*    G   1          2HO*        G   1   9.498  -3.171   8.692
    7    H1*    G   1           H1*        G   1   8.683  -0.525  10.629
    8    H8     G   1           H8         G   1   7.806   2.284   8.660
    9    H1     G   1           H1         G   1   2.420  -0.417  10.682
   10   1H2     G   1          1H2         G   1   2.824  -2.466  11.401
   11   2H2     G   1          2H2         G   1   4.429  -3.162  11.387
   12    H5T    G   1           H5T        G   1   8.140   0.788   6.007
   13   1H5*    G   2          1H5*        G   2   8.356  -4.506   7.921
   14   2H5*    G   2          2H5*        G   2   8.177  -5.665   6.573
   15    H4*    G   2           H4*        G   2   6.578  -6.119   8.365
   16    H3*    G   2           H3*        G   2   5.533  -4.900   5.831
   17    H2*    G   2           H2*        G   2   3.397  -4.818   6.600
   18   2HO*    G   2          2HO*        G   2   2.530  -6.312   7.839
   19    H1*    G   2           H1*        G   2   3.923  -4.457   9.319
   20    H8     G   2           H8         G   2   5.673  -1.881   7.232
   21    H1     G   2           H1         G   2  -0.485  -0.582   8.046
   22   1H2     G   2          1H2         G   2  -1.537  -2.355   8.831
   23   2H2     G   2          2H2         G   2  -0.700  -3.857   9.169
   24   1H5*    A   3          1H5*        A   3   2.975  -7.861   6.835
   25   2H5*    A   3          2H5*        A   3   2.444  -8.858   5.467
   26    H4*    A   3           H4*        A   3   0.510  -7.943   6.630
   27    H3*    A   3           H3*        A   3   1.117  -6.783   3.912
   28    H2*    A   3           H2*        A   3  -0.853  -5.528   4.024
   29   2HO*    A   3          2HO*        A   3  -1.767  -7.706   5.187
   30    H1*    A   3           H1*        A   3  -0.851  -5.155   6.807
   31    H8     A   3           H8         A   3   2.327  -4.051   5.064
   32   1H6     A   3          1H6         A   3  -0.350   1.409   4.226
   33   2H6     A   3          2H6         A   3   1.158   0.516   4.177
   34    H2     A   3           H2         A   3  -3.501  -1.486   5.621
   35   1H5*    C   4          1H5*        C   4  -2.898  -7.736   3.932
   36   2H5*    C   4          2H5*        C   4  -3.340  -8.627   2.464
   37    H4*    C   4           H4*        C   4  -4.854  -6.778   2.682
   38    H3*    C   4           H3*        C   4  -2.716  -6.428   0.591
   39    H2*    C   4           H2*        C   4  -3.556  -4.399  -0.020
   40   2HO*    C   4          2HO*        C   4  -5.698  -5.171  -0.374
   41    H1*    C   4           H1*        C   4  -4.711  -3.714   2.497
   42   1H4     C   4          1H4         C   4  -0.117   0.565   1.509
   43   2H4     C   4          2H4         C   4   1.119  -0.676   1.623
   44    H5     C   4           H5         C   4   0.617  -3.014   1.924
   45    H6     C   4           H6         C   4  -1.173  -4.670   2.101
   46   1H5*    T   5          1H5*        T   5  -5.921  -6.722  -1.989
   47   2H5*    T   5          2H5*        T   5  -5.486  -7.431  -3.558
   48    H4*    T   5           H4*        T   5  -5.861  -5.007  -3.744
   49    H3*    T   5           H3*        T   5  -3.113  -6.136  -4.182
   50   1H2*    T   5          1H2*        T   5  -2.183  -4.090  -4.481
   51   2H2*    T   5          2H2*        T   5  -3.753  -3.357  -5.047
   52    H1*    T   5           H1*        T   5  -3.989  -2.527  -2.976
   53    H3     T   5           H3         T   5  -0.298  -1.231  -0.817
   54   1H5M    T   5          1H5M        T   5   1.322  -5.539  -0.398
   55   2H5M    T   5          2H5M        T   5   0.658  -6.267  -1.880
   56   3H5M    T   5          3H5M        T   5  -0.208  -6.446  -0.335
   57    H6     T   5           H6         T   5  -1.927  -5.531  -2.196
   58   1H5*    T   6          1H5*        T   6  -5.288  -3.984  -7.247
   59   2H5*    T   6          2H5*        T   6  -4.826  -3.748  -8.945
   60    H4*    T   6           H4*        T   6  -5.025  -1.624  -7.547
   61    H3*    T   6           H3*        T   6  -3.141  -2.304  -9.534
   62   1H2*    T   6          1H2*        T   6  -1.270  -2.461  -8.231
   63   2H2*    T   6          2H2*        T   6  -1.338  -0.639  -8.290
   64    H1*    T   6           H1*        T   6  -2.191  -0.484  -6.183
   65    H3     T   6           H3         T   6   0.862  -1.776  -3.203
   66   1H5M    T   6          1H5M        T   6   1.069  -5.535  -6.829
   67   2H5M    T   6          2H5M        T   6  -0.204  -6.207  -5.782
   68   3H5M    T   6          3H5M        T   6   1.430  -5.932  -5.131
   69    H6     T   6           H6         T   6  -1.159  -3.992  -6.949
   70   1H5*    C   7          1H5*        C   7  -3.826   2.027  -7.874
   71   2H5*    C   7          2H5*        C   7  -3.322   3.386  -8.894
   72    H4*    C   7           H4*        C   7  -2.939   3.704  -6.412
   73    H3*    C   7           H3*        C   7  -1.230   4.359  -8.590
   74    H1*    C   7           H1*        C   7  -0.040   3.012  -5.110
   75   1H4     C   7          1H4         C   7   3.585  -2.196  -5.494
   76   2H4     C   7          2H4         C   7   3.212  -2.406  -7.190
   77    H5     C   7           H5         C   7   1.764  -0.920  -8.415
   78    H6     C   7           H6         C   7   0.350   1.073  -8.277
   79   1H2*    C   7          1H2*        C   7   0.550   3.086  -8.046
   80   2H2*    C   7          2H2*        C   7   0.830   4.343  -6.751
   81   1H5*    G   8          1H5*        G   8  -0.710   8.448  -4.214
   82   2H5*    G   8          2H5*        G   8  -0.887   6.690  -4.488
   83    H4*    G   8           H4*        G   8  -3.050   8.855  -4.633
   84    H3*    G   8           H3*        G   8  -1.927   7.565  -2.362
   85    H1*    G   8           H1*        G   8  -5.332   6.716  -4.006
   86    H8     G   8           H8         G   8  -6.290   4.900  -5.694
   87    H1     G   8           H1         G   8  -2.360   0.440  -3.417
   88   1H2     G   8          1H2         G   8  -0.827   1.371  -2.132
   89   2H2     G   8          2H2         G   8  -0.771   3.090  -1.831
   90   1H2*    G   8          1H2*        G   8  -2.953   5.544  -2.598
   91   2H2*    G   8          2H2*        G   8  -4.396   6.447  -1.932
   92   1H5*    G   9          1H5*        G   9  -5.744   9.545  -1.130
   93   2H5*    G   9          2H5*        G   9  -5.898  10.314   0.473
   94    H4*    G   9           H4*        G   9  -7.299   8.242   0.091
   95    H3*    G   9           H3*        G   9  -5.385   8.651   2.290
   96    H1*    G   9           H1*        G   9  -6.391   5.215   0.560
   97    H8     G   9           H8         G   9  -2.925   6.825   0.306
   98    H1     G   9           H1         G   9  -2.878   0.550   1.374
   99   1H2     G   9          1H2         G   9  -4.963  -0.153   1.686
  100   2H2     G   9          2H2         G   9  -6.332   0.943   1.618
  101   1H2*    G   9          1H2*        G   9  -4.814   6.528   2.608
  102   2H2*    G   9          2H2*        G   9  -6.551   6.044   2.606
  103   1H5*    T  10          1H5*        T  10  -8.861   5.461   3.026
  104   2H5*    T  10          2H5*        T  10  -9.524   6.001   4.582
  105    H4*    T  10           H4*        T  10  -9.283   3.544   4.543
  106    H3*    T  10           H3*        T  10  -7.857   5.260   6.449
  107   1H2*    T  10          1H2*        T  10  -6.104   3.948   6.761
  108   2H2*    T  10          2H2*        T  10  -7.217   2.544   7.037
  109    H1*    T  10           H1*        T  10  -6.875   1.724   4.996
  110    H3     T  10           H3         T  10  -2.462   0.970   4.760
  111   1H5M    T  10          1H5M        T  10  -2.874   6.229   4.708
  112   2H5M    T  10          2H5M        T  10  -2.952   5.833   2.976
  113   3H5M    T  10          3H5M        T  10  -1.501   5.420   3.915
  114    H6     T  10           H6         T  10  -5.145   4.930   4.466
  115   1H5*    C  11          1H5*        C  11  -8.971   0.869   7.702
  116   2H5*    C  11          2H5*        C  11  -9.427   0.912   9.416
  117    H4*    C  11           H4*        C  11  -7.890  -0.964   8.959
  118    H3*    C  11           H3*        C  11  -7.122   1.266  10.766
  119    H1*    C  11           H1*        C  11  -4.987  -1.270   8.639
  120   1H4     C  11          1H4         C  11   0.142   2.119   7.095
  121   2H4     C  11          2H4         C  11  -0.812   3.582   6.931
  122    H5     C  11           H5         C  11  -3.183   3.675   7.433
  123    H6     C  11           H6         C  11  -5.108   2.369   8.218
  124   1H2*    C  11          1H2*        C  11  -4.908   0.866  10.653
  125   2H2*    C  11          2H2*        C  11  -5.202  -0.916  10.828
  126   1H5*    C  12          1H5*        C  12  -5.781  -3.227  11.969
  127   2H5*    C  12          2H5*        C  12  -5.902  -3.206  13.737
  128    H4*    C  12           H4*        C  12  -3.803  -4.258  13.021
  129    H3*    C  12           H3*        C  12  -3.782  -1.677  14.525
  130    H1*    C  12           H1*        C  12  -1.106  -3.199  12.071
  131   1H4     C  12          1H4         C  12   1.199   2.295   9.834
  132   2H4     C  12          2H4         C  12  -0.396   3.024   9.891
  133    H5     C  12           H5         C  12  -2.318   1.908  10.770
  134    H6     C  12           H6         C  12  -3.164  -0.162  11.771
  135    H3T    C  12           H3T        C  12  -4.206  -3.725  15.517
  136   1H2*    C  12          1H2*        C  12  -1.619  -1.225  14.143
  137   2H2*    C  12          2H2*        C  12  -1.158  -2.985  14.303