*HEADER    DNA, RNA                                08-DEC-00   1HO6              
*TITLE     CHIMERIC ARABINONUCLEIC ACID (ANA) HAIRPIN WITH ANA/RNA               
*TITLE    2 HYBRID STEM                                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-R(*GP*GP*AP*C)-D(P*TP*TP*CP*G)-(P*(GAO)P*(UAR)          
*COMPND   3 P*(CAR)P*(CAR)-3';                                                   
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SOLID PHASE SYNTHESIS, PHOSPHORAMIDITE                
*SOURCE   4 CHEMISTRY                                                            
*KEYWDS    ARABINONUCLEIC ACID, RNA, HAIRPIN                                     
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    A.Y.DENISOV, K.GEHRING                                                
*REVDAT   1   07-NOV-01 1HO6    0                                                
! RNA_DNA_ANA-hairpin constraints (for X-PLOR program)
!-----------------------------------------------------------------
!DISTANCE NOE-constraints 
!-----------------------------------------------------------------
!intrasugar (62)
!----------------------------------------------------------------- 

!H1'-H2'
assign (resid 1 and name h1') (resid 1 and name h2') 2.6 0.3 0.5 
assign (resid 2 and name h1') (resid 2 and name h2') 2.6 0.3 0.5 
assign (resid 3 and name h1') (resid 3 and name h2') 2.5 0.3 0.5 
assign (resid 4 and name h1') (resid 4 and name h2') 2.6 0.3 0.5 
assign (resid 5 and name h1') (resid 5 and name h2') 2.6 0.3 0.5 
assign (resid 6 and name h1') (resid 6 and name h2') 2.7 0.3 0.5 
assign (resid 7 and name h1') (resid 7 and name h2') 2.9 0.3 0.5 
assign (resid 8 and name h1') (resid 8 and name h2') 2.9 0.3 0.5 

!H1'-H2" 
assign (resid 5 and name h1') (resid 5 and name h2'') 2.3 0.2 0.2
assign (resid 6 and name h1') (resid 6 and name h2'') 2.3 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'') 2.4 0.2 0.2
assign (resid 9 and name h1') (resid 9 and name h2``) 2.2 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``) 2.2 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') 3.5 0.5 0.7 
assign (resid 2 and name h1') (resid 2 and name h3') 3.7 0.5 0.7 
assign (resid 4 and name h1') (resid 4 and name h3') 3.8 0.5 0.7 
assign (resid 5 and name h1') (resid 5 and name h3') 3.5 0.5 0.7 
assign (resid 6 and name h1') (resid 6 and name h3') 3.5 0.5 0.7 
assign (resid 7 and name h1') (resid 7 and name h3') 3.7 0.5 0.7 
assign (resid 8 and name h1') (resid 8 and name h3') 3.4 0.5 0.7 
assign (resid 10 and name h1') (resid 10 and name h3') 3.5 0.5 0.7 
assign (resid 12 and name h1') (resid 12 and name h3') 3.4 0.5 0.7

!H1'-H4'  
assign (resid 1 and name h1') (resid 1 and name h4') 3.1 0.3 0.5 
assign (resid 2 and name h1') (resid 2 and name h4') 3.1 0.3 0.5 
assign (resid 3 and name h1') (resid 3 and name h4') 3.0 0.3 0.5 
assign (resid 4 and name h1') (resid 4 and name h4') 3.2 0.3 0.5 
assign (resid 5 and name h1') (resid 5 and name h4') 3.2 0.3 0.5 
assign (resid 6 and name h1') (resid 6 and name h4') 3.0 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') 2.9 0.3 0.5 
assign (resid 9 and name h1') (resid 9 and name h4') 2.5 0.2 0.2  
assign (resid 10 and name h1') (resid 10 and name h4') 2.4 0.2 0.2 
assign (resid 11 and name h1') (resid 11 and name h4') 2.4 0.2 0.2
assign (resid 12 and name h1') (resid 12 and name h4') 2.4 0.2 0.2

!H2'-H3'  
assign (resid 1 and name h2') (resid 1 and name h3') 2.5 0.2 0.2
assign (resid 3 and name h2') (resid 3 and name h3') 2.7 0.3 0.5 
assign (resid 4 and name h2') (resid 4 and name h3') 2.5 0.2 0.2
assign (resid 5 and name h2') (resid 5 and name h3') 2.3 0.2 0.2
assign (resid 6 and name h2') (resid 6 and name h3') 2.3 0.2 0.2
assign (resid 7 and name h2') (resid 7 and name h3') 2.3 0.2 0.2 
assign (resid 8 and name h2') (resid 8 and name h3') 2.3 0.2 0.2

!H2''-H3'  
assign (resid 5 and name h2'') (resid 5 and name h3') 2.8 0.3 0.5
assign (resid 6 and name h2'') (resid 6 and name h3') 2.6 0.3 0.5
assign (resid 7 and name h2'') (resid 7 and name h3') 2.5 0.3 0.5
assign (resid 8 and name h2'') (resid 8 and name h3') 2.6 0.3 0.5

!H2'-H4' 
assign (resid 1 and name h2') (resid 1 and name h4') 3.5 0.5 0.7 
assign (resid 5 and name h2') (resid 5 and name h4') 3.4 0.5 0.7
assign (resid 6 and name h2') (resid 6 and name h4') 3.5 0.5 0.7
assign (resid 7 and name h2') (resid 7 and name h4') 3.6 0.5 0.7
assign (resid 8 and name h2') (resid 8 and name h4') 3.7 0.5 0.7

!H2''-H4' 
assign (resid 5 and name h2'') (resid 5 and name h4') 2.8 0.3 0.5 
assign (resid 6 and name h2'') (resid 6 and name h4') 3.8 0.5 0.7
assign (resid 7 and name h2'') (resid 7 and name h4') 3.7 0.5 0.7
assign (resid 8 and name h2'') (resid 8 and name h4') 3.4 0.5 0.7

!H3'-H4' 
assign (resid 1 and name h3') (resid 1 and name h4') 2.7 0.3 0.5
assign (resid 5 and name h3') (resid 5 and name h4') 2.7 0.3 0.5
assign (resid 7 and name h3') (resid 7 and name h4') 2.6 0.3 0.5
assign (resid 8 and name h3') (resid 8 and name h4') 2.6 0.3 0.5
assign (resid 10 and name h3') (resid 10 and name h4') 2.9 0.3 0.5

!-------------------------------------------------------------------
!intraresidual base-to-sugar (38-4) 
!-------------------------------------------------------------------

!H1'-H6/H8 
assign (resid 1 and name h1') (resid 1 and name h8) 3.3 0.5 0.7
assign (resid 2 and name h1') (resid 2 and name h8) 3.3 0.5 0.7
assign (resid 3 and name h1') (resid 3 and name h8) 3.4 0.5 0.7
assign (resid 4 and name h1') (resid 4 and name h6) 3.4 0.5 0.7
assign (resid 5 and name h1') (resid 5 and name h6) 3.2 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    !*
!assign (resid 8 and name h1') (resid 8 and name h8) 3.5 1.5 1.5    !*
assign (resid 9 and name h1') (resid 9 and name h8) 3.8 0.5 0.7
assign (resid 10 and name h1') (resid 10 and name h6) 3.8 0.5 0.7
assign (resid 11 and name h1') (resid 11 and name h6) 3.6 0.5 0.7
assign (resid 12 and name h1') (resid 12 and name h6) 3.5 0.5 0.7

!H2'-H6/H8 
assign (resid 1 and name h2') (resid 1 and name h8) 3.3 0.3 0.5
assign (resid 2 and name h2') (resid 2 and name h8) 3.5 0.3 0.5
assign (resid 3 and name h2') (resid 3 and name h8) 3.0 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) 2.5 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    !*

!H2''-H6/H8 
assign (resid 5 and name h2'') (resid 5 and name h6) 3.1 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) 3.3 0.5 0.7
assign (resid 10 and name h2``) (resid 10 and name h6) 3.9 0.5 0.7
assign (resid 11 and name h2``) (resid 11 and name h6) 3.5 0.5 0.7 
assign (resid 12 and name h2``) (resid 12 and name h6) 3.6 0.5 0.7 

!H3'-H6/H8
assign (resid 1 and name h3') (resid 1 and name h8) 2.8 0.3 0.5 
assign (resid 2 and name h3') (resid 2 and name h8) 2.9 0.3 0.5  
assign (resid 3 and name h3') (resid 3 and name h8) 2.8 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 12 and name h3') (resid 12 and name h6) 3.2 0.3 0.5 

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

!------------------------------------------------------------------------
!sequential interresidual (49)
!------------------------------------------------------------------------

!H1'-H6/H8 
assign (resid 1 and name h1') (resid 2 and name h8) 3.8 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) 3.9 0.5 0.7
assign (resid 4 and name h1') (resid 5 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) 3.7 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) 3.7 0.5 0.7

!H2'-H6/H8 
assign (resid 1 and name h2') (resid 2 and name h8) 2.5 0.3 0.5 
assign (resid 2 and name h2') (resid 3 and name h8) 2.4 0.3 0.5
assign (resid 3 and name h2') (resid 4 and name h6) 2.5 0.3 0.5
assign (resid 4 and name h2') (resid 5 and name h6) 2.8 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     !*


!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) 2.4 0.2 0.2
assign (resid 10 and name h2``) (resid 11 and name h6) 2.4 0.2 0.2
assign (resid 11 and name h2``) (resid 12 and name h6) 2.3 0.2 0.2

!H3'-H6/H8 
assign (resid 1 and name h3') (resid 2 and name h8) 3.1 0.5 0.7
assign (resid 3 and name h3') (resid 4 and name h6) 3.4 0.5 0.7
assign (resid 4 and name h3') (resid 5 and name h6) 2.8 0.5 1.0

!other 
assign (resid 3 and name h2) (resid 4 and name h1') 3.0 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) 3.7 0.5 0.7
assign (resid 3 and name h2') (resid 4 and name h1') 3.9 0.5 0.7

assign (resid 4 and name h6) (resid 5 and name h6) 4.3 0.5 1.5
assign (resid 4 and name h5) (resid 5 and (name h5#)) 3.1 0.5 1.0
assign (resid 4 and name h6) (resid 5 and (name h5#)) 3.0 0.5 1.0
assign (resid 4 and name h2') (resid 5 and (name h5#)) 3.4 0.5 1.5
assign (resid 4 and name h3') (resid 5 and (name h5#)) 2.6 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 h2'') (resid 6 and (name h5#)) 5.0 2.0 2.0  !*
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 6 and name h2') 5.0 2.0 2.0     !*
assign (resid 5 and name h2'') (resid 6 and name h2') 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 h1') 5.0 2.0 2.0     !*
assign (resid 8 and name h1') (resid 9 and name h4') 5.0 2.0 2.0     !*

assign (resid 9 and name h2``) (resid 10 and name h5) 3.5 0.5 0.7

assign (resid 10 and name h2``) (resid 11 and name h5) 3.8 0.5 0.7

assign (resid 11 and name h6) (resid 12 and name h5) 4.0 0.5 0.7
assign (resid 11 and name h2``) (resid 12 and name h5) 3.7 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') 3.5 0.5 99.0
assign (resid 9 and name h1') (resid 10 and name h5'') 3.5 0.5 99.0
assign (resid 10 and name h1') (resid 11 and name h5') 3.5 0.5 99.0
assign (resid 10 and name h1') (resid 11 and name h5'') 3.5 0.5 99.0
assign (resid 11 and name h1') (resid 12 and name h5') 3.5 0.5 99.0
assign (resid 11 and name h1') (resid 12 and name h5'') 3.5 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 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 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 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 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 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 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


!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 45.0 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 20.0 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 30.0 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 30.0 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 30.0 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, 90, 90, 90, 90 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   7.074  -9.095   2.313
    2   2H5*    G   1          2H5*        G   1   6.888  -8.881   4.076
    3    H4*    G   1           H4*        G   1   8.720  -7.519   3.078
    4    H3*    G   1           H3*        G   1   6.291  -6.182   4.229
    5    H2*    G   1           H2*        G   1   6.957  -4.101   3.624
    6   2HO*    G   1          2HO*        G   1   8.912  -3.640   4.255
    7    H1*    G   1           H1*        G   1   8.443  -4.705   1.349
    8    H8     G   1           H8         G   1   4.980  -6.079   1.116
    9    H1     G   1           H1         G   1   5.186   0.235   0.282
   10   1H2     G   1          1H2         G   1   7.189   0.993   0.863
   11   2H2     G   1          2H2         G   1   8.451  -0.076   1.441
   12    H5T    G   1           H5T        G   1   4.880  -8.902   2.960
   13   1H5*    G   2          1H5*        G   2  10.102  -4.018   5.646
   14   2H5*    G   2          2H5*        G   2   9.795  -3.641   7.363
   15    H4*    G   2           H4*        G   2  10.654  -1.739   5.931
   16    H3*    G   2           H3*        G   2   7.949  -1.574   7.251
   17    H2*    G   2           H2*        G   2   7.574   0.518   6.406
   18   2HO*    G   2          2HO*        G   2   9.120   1.966   6.126
   19    H1*    G   2           H1*        G   2   8.941   0.256   3.996
   20    H8     G   2           H8         G   2   6.429  -2.471   4.733
   21    H1     G   2           H1         G   2   3.763   2.802   2.406
   22   1H2     G   2          1H2         G   2   5.234   4.448   2.375
   23   2H2     G   2          2H2         G   2   6.885   4.226   2.917
   24   1H5*    A   3          1H5*        A   3  10.371   2.144   7.836
   25   2H5*    A   3          2H5*        A   3  10.113   2.697   9.502
   26    H4*    A   3           H4*        A   3   9.830   4.536   7.878
   27    H3*    A   3           H3*        A   3   7.458   3.570   9.457
   28    H2*    A   3           H2*        A   3   6.063   5.128   8.455
   29   2HO*    A   3          2HO*        A   3   6.777   6.989   7.513
   30    H1*    A   3           H1*        A   3   7.103   5.099   5.938
   31    H8     A   3           H8         A   3   6.525   1.718   7.632
   32   1H6     A   3          1H6         A   3   0.931   1.872   5.038
   33   2H6     A   3          2H6         A   3   2.084   0.879   5.911
   34    H2     A   3           H2         A   3   2.920   5.872   4.413
   35   1H5*    C   4          1H5*        C   4   7.619   7.921   9.462
   36   2H5*    C   4          2H5*        C   4   7.018   8.576  11.000
   37    H4*    C   4           H4*        C   4   5.779   9.478   9.039
   38    H3*    C   4           H3*        C   4   4.435   7.825  11.144
   39    H2*    C   4           H2*        C   4   2.439   7.701  10.050
   40   2HO*    C   4          2HO*        C   4   1.771   9.644   9.523
   41    H1*    C   4           H1*        C   4   3.314   7.828   7.402
   42   1H4     C   4          1H4         C   4   1.482   1.828   8.192
   43   2H4     C   4          2H4         C   4   2.707   1.542   9.411
   44    H5     C   4           H5         C   4   4.185   3.276  10.221
   45    H6     C   4           H6         C   4   4.812   5.640  10.006
   46   1H5*    T   5          1H5*        T   5   1.617  11.192  10.343
   47   2H5*    T   5          2H5*        T   5   0.900  11.616  11.911
   48    H4*    T   5           H4*        T   5  -0.816  10.991  10.223
   49    H3*    T   5           H3*        T   5  -0.405   9.423  12.746
   50   1H2*    T   5          1H2*        T   5  -1.854   7.761  12.178
   51   2H2*    T   5          2H2*        T   5  -2.782   8.844  11.043
   52    H1*    T   5           H1*        T   5  -1.643   7.829   9.395
   53    H3     T   5           H3         T   5  -0.273   3.614   9.960
   54   1H5M    T   5          1H5M        T   5   3.422   6.417  12.355
   55   2H5M    T   5          2H5M        T   5   2.303   6.214  13.722
   56   3H5M    T   5          3H5M        T   5   3.041   4.786  12.957
   57    H6     T   5           H6         T   5   1.104   7.778  11.908
   58   1H5*    T   6          1H5*        T   6  -4.494  10.092  12.233
   59   2H5*    T   6          2H5*        T   6  -5.510  10.259  13.676
   60    H4*    T   6           H4*        T   6  -6.046   8.271  12.179
   61    H3*    T   6           H3*        T   6  -5.963   8.452  15.011
   62   1H2*    T   6          1H2*        T   6  -4.331   6.967  15.439
   63   2H2*    T   6          2H2*        T   6  -5.599   5.723  15.025
   64    H1*    T   6           H1*        T   6  -4.709   5.342  12.958
   65    H3     T   6           H3         T   6  -0.871   3.237  13.872
   66   1H5M    T   6          1H5M        T   6   1.139   7.032  15.580
   67   2H5M    T   6          2H5M        T   6   0.343   8.267  14.575
   68   3H5M    T   6          3H5M        T   6  -0.282   7.905  16.202
   69    H6     T   6           H6         T   6  -2.336   7.766  14.497
   70   1H5*    C   7          1H5*        C   7  -8.140   4.982  12.910
   71   2H5*    C   7          2H5*        C   7  -9.624   4.430  13.707
   72    H4*    C   7           H4*        C   7  -8.314   2.592  12.647
   73    H3*    C   7           H3*        C   7  -9.398   2.640  15.291
   74    H1*    C   7           H1*        C   7  -6.170   0.842  14.055
   75   1H4     C   7          1H4         C   7  -1.085   1.998  17.654
   76   2H4     C   7          2H4         C   7  -1.826   3.417  18.357
   77    H5     C   7           H5         C   7  -4.029   4.178  17.780
   78    H6     C   7           H6         C   7  -6.008   3.733  16.412
   79   1H2*    C   7          1H2*        C   7  -7.520   2.122  16.413
   80   2H2*    C   7          2H2*        C   7  -7.739   0.458  15.687
   81   1H5*    G   8          1H5*        G   8 -11.191   1.966  10.047
   82   2H5*    G   8          2H5*        G   8 -10.439   0.466  10.647
   83    H4*    G   8           H4*        G   8  -9.149   3.000   9.497
   84    H3*    G   8           H3*        G   8  -9.990   0.545   8.314
   85    H1*    G   8           H1*        G   8  -6.338   1.655   9.047
   86    H8     G   8           H8         G   8  -7.556  -1.103  11.499
   87    H1     G   8           H1         G   8  -1.362  -1.311  10.084
   88   1H2     G   8          1H2         G   8  -0.882   0.250   8.601
   89   2H2     G   8          2H2         G   8  -2.085   1.339   7.962
   90   1H2*    G   8          1H2*        G   8  -8.178  -0.708   8.840
   91   2H2*    G   8          2H2*        G   8  -7.358   0.270   7.529
   92   1H5*  GAO   9          1H5*       +G   9  -9.186   4.299   6.159
   93   2H5*  GAO   9          2H5*       +G   9  -9.770   4.412   4.474
   94    H4*  GAO   9           H4*       +G   9  -8.011   6.087   5.054
   95    H3*  GAO   9           H3*       +G   9  -7.683   4.037   2.961
   96    H2*  GAO   9           H2*       +G   9  -5.281   5.582   2.924
   97   2HO*  GAO   9          2HO*      HOH   9  -5.818   3.350   2.189
   98    H1*  GAO   9           H1*       +G   9  -5.125   6.002   5.141
   99    H8   GAO   9           H8        +G   9  -5.226   2.145   5.205
  100    H1   GAO   9           H1        +G   9   0.242   4.722   7.183
  101   1H2   GAO   9          1H2        +G   9   0.163   6.917   6.931
  102   2H2   GAO   9          2H2        +G   9  -1.247   7.731   6.288
  103   1H5*  UAR  10          1H5*       +U  10  -5.908   8.167   2.758
  104   2H5*  UAR  10          2H5*       +U  10  -5.768   8.867   1.132
  105    H4*  UAR  10           H4*       +U  10  -3.700   9.242   2.419
  106    H3*  UAR  10           H3*       +U  10  -3.752   7.567  -0.030
  107    H2*  UAR  10           H2*       +U  10  -1.014   7.859   0.815
  108   2HO*  UAR  10          2HO*      HOH  10  -2.144   6.279  -0.620
  109    H1*  UAR  10           H1*       +U  10  -1.392   7.757   3.052
  110    H3   UAR  10           H3        +U  10   0.863   4.048   4.246
  111    H5   UAR  10           H5        +U  10  -2.791   2.524   2.826
  112    H6   UAR  10           H6        +U  10  -3.410   4.779   2.192
  113   1H5*  CAR  11          1H5*       +C  11  -0.340  10.282   0.816
  114   2H5*  CAR  11          2H5*       +C  11   0.487  10.970  -0.598
  115    H4*  CAR  11           H4*       +C  11   2.114  10.025   0.998
  116    H3*  CAR  11           H3*       +C  11   1.777   8.979  -1.751
  117    H2*  CAR  11           H2*       +C  11   3.976   7.563  -0.576
  118   2HO*  CAR  11          2HO*       +C  11   2.429   7.095  -2.402
  119    H1*  CAR  11           H1*       +C  11   3.160   7.485   1.549
  120   1HN4  CAR  11          1H4        +C  11   1.565   1.335   1.893
  121   2HN4  CAR  11          2H4        +C  11   0.044   1.634   1.065
  122    H5   CAR  11           H5        +C  11  -0.584   3.801   0.203
  123    H6   CAR  11           H6        +C  11   0.105   6.138  -0.043
  124   1H5*  CAR  12          1H5*       +C  12   5.942   8.934   0.018
  125   2H5*  CAR  12          2H5*       +C  12   7.165   9.286  -1.222
  126    H4*  CAR  12           H4*       +C  12   7.839   7.309   0.034
  127    H3*  CAR  12           H3*       +C  12   7.066   7.101  -2.827
  128    H3T  CAR  12           H3T       +C  12   9.261   6.490  -2.935
  129    H2*  CAR  12           H2*       +C  12   8.088   4.550  -1.995
  130   2HO*  CAR  12          2HO*       +C  12   5.540   5.451  -2.937
  131    H1*  CAR  12           H1*       +C  12   7.263   4.618   0.134
  132   1HN4  CAR  12          1H4        +C  12   2.676   0.269  -0.553
  133   2HN4  CAR  12          2H4        +C  12   1.592   1.448  -1.267
  134    H5   CAR  12           H5        +C  12   2.216   3.748  -1.665
  135    H6   CAR  12           H6        +C  12   4.031   5.389  -1.511
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1   3.098  -8.603   3.420
    2   2H5*    G   1          2H5*        G   1   2.952  -7.953   5.076
    3    H4*    G   1           H4*        G   1   5.116  -7.433   3.911
    4    H3*    G   1           H3*        G   1   3.212  -5.239   4.670
    5    H2*    G   1           H2*        G   1   4.467  -3.610   3.732
    6   2HO*    G   1          2HO*        G   1   6.411  -4.001   4.785
    7    H1*    G   1           H1*        G   1   5.696  -5.076   1.694
    8    H8     G   1           H8         G   1   2.015  -5.342   1.427
    9    H1     G   1           H1         G   1   4.119   0.496  -0.017
   10   1H2     G   1          1H2         G   1   6.246   0.686   0.585
   11   2H2     G   1          2H2         G   1   7.114  -0.641   1.331
   12    H5T    G   1           H5T        G   1   1.729  -6.210   4.099
   13   1H5*    G   2          1H5*        G   2   7.821  -4.653   5.851
   14   2H5*    G   2          2H5*        G   2   7.655  -4.151   7.558
   15    H4*    G   2           H4*        G   2   9.456  -2.944   6.307
   16    H3*    G   2           H3*        G   2   7.026  -1.522   7.338
   17    H2*    G   2           H2*        G   2   7.592   0.508   6.408
   18   2HO*    G   2          2HO*        G   2  10.065  -0.318   6.955
   19    H1*    G   2           H1*        G   2   8.674  -0.342   4.041
   20    H8     G   2           H8         G   2   5.682  -2.379   4.861
   21    H1     G   2           H1         G   2   4.065   3.265   2.473
   22   1H2     G   2          1H2         G   2   5.813   4.612   2.417
   23   2H2     G   2          2H2         G   2   7.397   4.104   2.964
   24   1H5*    A   3          1H5*        A   3   9.668   1.265   7.823
   25   2H5*    A   3          2H5*        A   3   9.637   1.972   9.451
   26    H4*    A   3           H4*        A   3   9.201   3.728   7.856
   27    H3*    A   3           H3*        A   3   6.840   2.737   9.436
   28    H2*    A   3           H2*        A   3   5.458   4.285   8.440
   29   2HO*    A   3          2HO*        A   3   7.666   5.792   8.553
   30    H1*    A   3           H1*        A   3   6.693   4.409   5.959
   31    H8     A   3           H8         A   3   5.711   0.944   7.162
   32   1H6     A   3          1H6         A   3   0.189   2.087   4.671
   33   2H6     A   3          2H6         A   3   1.220   0.860   5.385
   34    H2     A   3           H2         A   3   2.606   5.904   4.645
   35   1H5*    C   4          1H5*        C   4   7.005   6.991   9.684
   36   2H5*    C   4          2H5*        C   4   6.558   7.558  11.306
   37    H4*    C   4           H4*        C   4   5.189   8.678   9.626
   38    H3*    C   4           H3*        C   4   3.870   6.645  11.400
   39    H2*    C   4           H2*        C   4   1.829   6.959  10.429
   40   2HO*    C   4          2HO*        C   4   1.504   9.108  10.526
   41    H1*    C   4           H1*        C   4   2.705   7.602   7.829
   42   1H4     C   4          1H4         C   4   0.080   1.837   7.446
   43   2H4     C   4          2H4         C   4   1.314   1.149   8.481
   44    H5     C   4           H5         C   4   3.064   2.463   9.496
   45    H6     C   4           H6         C   4   3.973   4.722   9.768
   46   1H5*    T   5          1H5*        T   5   1.797   9.982  12.478
   47   2H5*    T   5          2H5*        T   5   1.119   9.971  14.120
   48    H4*    T   5           H4*        T   5  -0.633   9.643  12.406
   49    H3*    T   5           H3*        T   5   0.048   7.497  14.378
   50   1H2*    T   5          1H2*        T   5  -1.331   5.959  13.466
   51   2H2*    T   5          2H2*        T   5  -2.399   7.230  12.722
   52    H1*    T   5           H1*        T   5  -1.341   6.806  10.799
   53    H3     T   5           H3         T   5  -0.090   2.479  10.541
   54   1H5M    T   5          1H5M        T   5   4.129   4.815  12.378
   55   2H5M    T   5          2H5M        T   5   3.313   4.714  13.954
   56   3H5M    T   5          3H5M        T   5   3.725   3.226  13.069
   57    H6     T   5           H6         T   5   1.732   6.338  12.748
   58   1H5*    T   6          1H5*        T   6  -3.749   7.107  14.711
   59   2H5*    T   6          2H5*        T   6  -4.286   6.353  16.218
   60    H4*    T   6           H4*        T   6  -3.919   4.900  14.014
   61    H3*    T   6           H3*        T   6  -4.048   4.296  16.756
   62   1H2*    T   6          1H2*        T   6  -1.846   3.875  17.145
   63   2H2*    T   6          2H2*        T   6  -2.253   2.269  16.369
   64    H1*    T   6           H1*        T   6  -1.259   2.858  14.389
   65    H3     T   6           H3         T   6   3.027   2.730  15.781
   66   1H5M    T   6          1H5M        T   6   1.149   7.122  17.951
   67   2H5M    T   6          2H5M        T   6   2.839   7.059  17.395
   68   3H5M    T   6          3H5M        T   6   1.574   7.714  16.327
   69    H6     T   6           H6         T   6  -0.486   5.969  16.192
   70   1H5*    C   7          1H5*        C   7  -6.971   3.300  14.347
   71   2H5*    C   7          2H5*        C   7  -8.171   2.012  14.127
   72    H4*    C   7           H4*        C   7  -7.158   2.869  11.979
   73    H3*    C   7           H3*        C   7  -7.659   0.192  12.767
   74    H1*    C   7           H1*        C   7  -4.456   1.333  10.782
   75   1H4     C   7          1H4         C   7   0.886  -0.482  13.718
   76   2H4     C   7          2H4         C   7   0.007  -0.945  15.162
   77    H5     C   7           H5         C   7  -2.374  -0.665  15.399
   78    H6     C   7           H6         C   7  -4.424   0.087  14.300
   79   1H2*    C   7          1H2*        C   7  -5.559  -0.609  12.774
   80   2H2*    C   7          2H2*        C   7  -5.722  -0.562  10.956
   81   1H5*    G   8          1H5*        G   8  -8.424   0.115   6.943
   82   2H5*    G   8          2H5*        G   8  -7.449   1.000   8.152
   83    H4*    G   8           H4*        G   8 -10.067   1.839   6.798
   84    H3*    G   8           H3*        G   8  -7.437   2.031   5.876
   85    H1*    G   8           H1*        G   8  -9.228   4.987   7.663
   86    H8     G   8           H8         G   8  -9.405   5.837  10.241
   87    H1     G   8           H1         G   8  -3.292   4.323  11.127
   88   1H2     G   8          1H2         G   8  -2.576   3.066   9.461
   89   2H2     G   8          2H2         G   8  -3.610   2.598   8.129
   90   1H2*    G   8          1H2*        G   8  -6.637   3.485   7.441
   91   2H2*    G   8          2H2*        G   8  -7.390   4.706   6.313
   92   1H5*  GAO   9          1H5*       +G   9  -9.946   5.334   4.171
   93   2H5*  GAO   9          2H5*       +G   9 -10.182   5.839   2.481
   94    H4*  GAO   9           H4*       +G   9  -8.353   7.090   3.487
   95    H3*  GAO   9           H3*       +G   9  -7.826   5.132   1.355
   96    H2*  GAO   9           H2*       +G   9  -5.277   6.214   1.930
   97   2HO*  GAO   9          2HO*       +C   9  -6.337   3.615   2.506
   98    H1*  GAO   9           H1*       +G   9  -5.648   6.711   4.132
   99    H8   GAO   9           H8        +G   9  -6.038   2.873   4.228
  100    H1   GAO   9           H1        +G   9  -0.638   5.007   6.778
  101   1H2   GAO   9          1H2        +G   9  -0.496   7.195   6.535
  102   2H2   GAO   9          2H2        +G   9  -1.749   8.127   5.740
  103   1H5*  UAR  10          1H5*       +U  10  -5.597   9.165   1.756
  104   2H5*  UAR  10          2H5*       +U  10  -5.094   9.858   0.200
  105    H4*  UAR  10           H4*       +U  10  -3.320  10.060   1.945
  106    H3*  UAR  10           H3*       +U  10  -2.958   8.588  -0.605
  107    H2*  UAR  10           H2*       +U  10  -0.441   8.654   0.803
  108   2HO*  UAR  10          2HO*       +C  10  -1.180   7.297  -0.994
  109    H1*  UAR  10           H1*       +U  10  -1.255   8.333   2.888
  110    H3   UAR  10           H3        +U  10   0.466   4.335   4.035
  111    H5   UAR  10           H5        +U  10  -3.023   3.310   1.927
  112    H6   UAR  10           H6        +U  10  -3.314   5.658   1.407
  113   1H5*  CAR  11          1H5*       +C  11   0.628  10.863   1.007
  114   2H5*  CAR  11          2H5*       +C  11   1.591  11.545  -0.320
  115    H4*  CAR  11           H4*       +C  11   3.040  10.339   1.263
  116    H3*  CAR  11           H3*       +C  11   2.724   9.524  -1.555
  117    H2*  CAR  11           H2*       +C  11   4.635   7.716  -0.456
  118   2HO*  CAR  11          2HO*       +C  11   3.117   7.562  -2.313
  119    H1*  CAR  11           H1*       +C  11   3.792   7.666   1.667
  120   1HN4  CAR  11          1H4        +C  11   1.462   1.753   1.753
  121   2HN4  CAR  11          2H4        +C  11  -0.022   2.278   0.975
  122    H5   CAR  11           H5        +C  11  -0.369   4.534   0.188
  123    H6   CAR  11           H6        +C  11   0.606   6.774   0.030
  124   1H5*  CAR  12          1H5*       +C  12   6.869   8.809   0.301
  125   2H5*  CAR  12          2H5*       +C  12   8.125   8.999  -0.942
  126    H4*  CAR  12           H4*       +C  12   8.433   6.872   0.235
  127    H3*  CAR  12           H3*       +C  12   7.584   6.880  -2.631
  128    H3T  CAR  12           H3T       +C  12   9.745   7.340  -2.021
  129    H2*  CAR  12           H2*       +C  12   8.423   4.247  -1.707
  130   2HO*  CAR  12          2HO*       +C  12   6.586   3.703  -2.917
  131    H1*  CAR  12           H1*       +C  12   7.323   4.304   0.265
  132   1HN4  CAR  12          1H4        +C  12   1.923   1.145  -0.951
  133   2HN4  CAR  12          2H4        +C  12   1.229   2.551  -1.737
  134    H5   CAR  12           H5        +C  12   2.422   4.621  -2.041
  135    H6   CAR  12           H6        +C  12   4.541   5.791  -1.677
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1   6.468  -9.131   2.392
    2   2H5*    G   1          2H5*        G   1   5.768  -8.980   4.028
    3    H4*    G   1           H4*        G   1   8.089  -8.051   3.754
    4    H3*    G   1           H3*        G   1   5.766  -6.271   4.454
    5    H2*    G   1           H2*        G   1   7.104  -4.383   4.534
    6   2HO*    G   1          2HO*        G   1   8.923  -6.079   5.410
    7    H1*    G   1           H1*        G   1   8.697  -4.914   2.385
    8    H8     G   1           H8         G   1   5.137  -5.876   1.632
    9    H1     G   1           H1         G   1   6.138   0.384   1.109
   10   1H2     G   1          1H2         G   1   8.111   0.913   1.940
   11   2H2     G   1          2H2         G   1   9.184  -0.291   2.624
   12    H5T    G   1           H5T        G   1   5.123  -7.575   1.654
   13   1H5*    G   2          1H5*        G   2   8.733  -5.049   6.787
   14   2H5*    G   2          2H5*        G   2   8.300  -4.629   8.466
   15    H4*    G   2           H4*        G   2   9.352  -2.780   7.134
   16    H3*    G   2           H3*        G   2   6.519  -2.532   8.113
   17    H2*    G   2           H2*        G   2   6.224  -0.523   7.122
   18   2HO*    G   2          2HO*        G   2   7.913   0.586   8.080
   19    H1*    G   2           H1*        G   2   8.123  -0.773   5.041
   20    H8     G   2           H8         G   2   5.338  -3.310   4.960
   21    H1     G   2           H1         G   2   3.634   2.396   2.728
   22   1H2     G   2          1H2         G   2   5.206   3.886   3.202
   23   2H2     G   2          2H2         G   2   6.665   3.443   4.064
   24   1H5*    A   3          1H5*        A   3   9.435   1.109   9.138
   25   2H5*    A   3          2H5*        A   3   8.923   1.542  10.782
   26    H4*    A   3           H4*        A   3   9.215   3.558   9.413
   27    H3*    A   3           H3*        A   3   6.454   2.769  10.292
   28    H2*    A   3           H2*        A   3   5.481   4.577   9.215
   29   2HO*    A   3          2HO*        A   3   6.533   6.418   8.723
   30    H1*    A   3           H1*        A   3   6.985   4.628   6.967
   31    H8     A   3           H8         A   3   5.934   1.187   8.195
   32   1H6     A   3          1H6         A   3   0.847   1.960   4.794
   33   2H6     A   3          2H6         A   3   1.780   0.820   5.748
   34    H2     A   3           H2         A   3   3.146   5.840   4.859
   35   1H5*    C   4          1H5*        C   4   6.925   6.864  10.856
   36   2H5*    C   4          2H5*        C   4   6.115   7.505  12.301
   37    H4*    C   4           H4*        C   4   5.325   8.621  10.239
   38    H3*    C   4           H3*        C   4   3.489   6.935  11.900
   39    H2*    C   4           H2*        C   4   1.726   7.101  10.462
   40   2HO*    C   4          2HO*        C   4   2.733   9.590  10.121
   41    H1*    C   4           H1*        C   4   3.109   7.329   8.050
   42   1H4     C   4          1H4         C   4   0.555   1.550   7.998
   43   2H4     C   4          2H4         C   4   1.578   1.012   9.314
   44    H5     C   4           H5         C   4   3.121   2.489  10.474
   45    H6     C   4           H6         C   4   4.000   4.773  10.583
   46   1H5*    T   5          1H5*        T   5   0.777   9.298  11.012
   47   2H5*    T   5          2H5*        T   5  -0.162   9.818  12.426
   48    H4*    T   5           H4*        T   5  -1.577   8.506  10.940
   49    H3*    T   5           H3*        T   5  -0.775   7.339  13.585
   50   1H2*    T   5          1H2*        T   5  -1.834   5.355  13.200
   51   2H2*    T   5          2H2*        T   5  -2.942   6.095  11.964
   52    H1*    T   5           H1*        T   5  -1.565   5.202  10.433
   53    H3     T   5           H3         T   5   0.513   1.457  11.803
   54   1H5M    T   5          1H5M        T   5   3.769   3.818  14.067
   55   2H5M    T   5          2H5M        T   5   3.795   5.302  13.086
   56   3H5M    T   5          3H5M        T   5   2.846   5.247  14.590
   57    H6     T   5           H6         T   5   1.206   6.130  12.664
   58   1H5*    T   6          1H5*        T   6  -4.854   7.194  12.991
   59   2H5*    T   6          2H5*        T   6  -6.013   7.103  14.329
   60    H4*    T   6           H4*        T   6  -5.910   5.061  12.807
   61    H3*    T   6           H3*        T   6  -6.251   5.225  15.597
   62   1H2*    T   6          1H2*        T   6  -4.269   4.325  16.254
   63   2H2*    T   6          2H2*        T   6  -5.112   2.758  15.849
   64    H1*    T   6           H1*        T   6  -3.994   2.537  13.865
   65    H3     T   6           H3         T   6   0.161   1.479  15.132
   66   1H5M    T   6          1H5M        T   6   1.109   5.742  16.628
   67   2H5M    T   6          2H5M        T   6  -0.015   6.702  15.636
   68   3H5M    T   6          3H5M        T   6  -0.488   6.190  17.273
   69    H6     T   6           H6         T   6  -2.401   5.527  15.430
   70   1H5*    C   7          1H5*        C   7  -8.792   3.161  13.006
   71   2H5*    C   7          2H5*        C   7 -10.141   2.017  13.115
   72    H4*    C   7           H4*        C   7  -8.512   1.588  11.221
   73    H3*    C   7           H3*        C   7  -9.716  -0.272  13.031
   74    H1*    C   7           H1*        C   7  -6.125  -0.507  11.532
   75   1H4     C   7          1H4         C   7  -1.702  -1.726  15.907
   76   2H4     C   7          2H4         C   7  -2.631  -0.937  17.161
   77    H5     C   7           H5         C   7  -4.792   0.037  16.779
   78    H6     C   7           H6         C   7  -6.534   0.478  15.110
   79   1H2*    C   7          1H2*        C   7  -7.842  -1.166  13.899
   80   2H2*    C   7          2H2*        C   7  -7.699  -1.994  12.276
   81   1H5*    G   8          1H5*        G   8 -10.198   0.492   7.482
   82   2H5*    G   8          2H5*        G   8  -8.522   0.305   8.071
   83    H4*    G   8           H4*        G   8  -9.944   2.930   7.372
   84    H3*    G   8           H3*        G   8  -8.956   0.946   5.601
   85    H1*    G   8           H1*        G   8  -7.011   4.208   6.562
   86    H8     G   8           H8         G   8  -5.059   4.731   8.360
   87    H1     G   8           H1         G   8  -2.536  -1.026   7.370
   88   1H2     G   8          1H2         G   8  -3.932  -2.276   6.196
   89   2H2     G   8          2H2         G   8  -5.487  -1.684   5.663
   90   1H2*    G   8          1H2*        G   8  -6.744   1.315   5.835
   91   2H2*    G   8          2H2*        G   8  -7.067   2.770   4.781
   92   1H5*  GAO   9          1H5*       +G   9  -9.097   5.380   3.967
   93   2H5*  GAO   9          2H5*       +G   9  -9.236   5.494   2.188
   94    H4*  GAO   9           H4*       +G   9  -7.494   6.989   3.220
   95    H3*  GAO   9           H3*       +G   9  -6.880   4.861   1.240
   96    H2*  GAO   9           H2*       +G   9  -4.521   6.450   1.761
   97   2HO*  GAO   9          2HO*       +C   9  -4.814   4.327   0.694
   98    H1*  GAO   9           H1*       +G   9  -4.739   6.613   3.989
   99    H8   GAO   9           H8        +G   9  -5.111   2.793   3.529
  100    H1   GAO   9           H1        +G   9  -0.132   4.638   7.019
  101   1H2   GAO   9          1H2        +G   9  -0.057   6.844   7.100
  102   2H2   GAO   9          2H2        +G   9  -1.251   7.845   6.300
  103   1H5*  UAR  10          1H5*       +U  10  -5.134   8.814   1.378
  104   2H5*  UAR  10          2H5*       +U  10  -4.542   9.637  -0.081
  105    H4*  UAR  10           H4*       +U  10  -2.897   9.809   1.751
  106    H3*  UAR  10           H3*       +U  10  -2.322   8.416  -0.792
  107    H2*  UAR  10           H2*       +U  10   0.103   8.363   0.725
  108   2HO*  UAR  10          2HO*       +C  10  -0.934   6.978  -1.059
  109    H1*  UAR  10           H1*       +U  10  -0.853   8.185   2.790
  110    H3   UAR  10           H3        +U  10   1.037   4.315   4.146
  111    H5   UAR  10           H5        +U  10  -2.281   3.032   1.902
  112    H6   UAR  10           H6        +U  10  -2.700   5.346   1.318
  113   1H5*  CAR  11          1H5*       +C  11   1.030  10.665   1.175
  114   2H5*  CAR  11          2H5*       +C  11   2.174  11.376   0.017
  115    H4*  CAR  11           H4*       +C  11   3.378  10.103   1.743
  116    H3*  CAR  11           H3*       +C  11   3.406   9.293  -1.114
  117    H2*  CAR  11           H2*       +C  11   5.236   7.597   0.319
  118   2HO*  CAR  11          2HO*       +C  11   2.876   7.207  -1.239
  119    H1*  CAR  11           H1*       +C  11   4.019   7.436   2.237
  120   1HN4  CAR  11          1H4        +C  11   1.831   1.483   1.658
  121   2HN4  CAR  11          2H4        +C  11   0.540   2.011   0.589
  122    H5   CAR  11           H5        +C  11   0.285   4.301  -0.147
  123    H6   CAR  11           H6        +C  11   1.212   6.565  -0.017
  124   1H5*  CAR  12          1H5*       +C  12   7.421   9.022   1.185
  125   2H5*  CAR  12          2H5*       +C  12   8.767   9.337   0.070
  126    H4*  CAR  12           H4*       +C  12   9.231   7.325   1.382
  127    H3*  CAR  12           H3*       +C  12   8.811   7.193  -1.552
  128    H3T  CAR  12           H3T       +C  12  10.872   6.389   0.263
  129    H2*  CAR  12           H2*       +C  12   9.618   4.586  -0.662
  130   2HO*  CAR  12          2HO*       +C  12   8.537   5.158  -2.638
  131    H1*  CAR  12           H1*       +C  12   8.532   4.630   1.346
  132   1HN4  CAR  12          1H4        +C  12   3.755   0.637   0.032
  133   2HN4  CAR  12          2H4        +C  12   2.854   1.911  -0.766
  134    H5   CAR  12           H5        +C  12   3.699   4.147  -1.060
  135    H6   CAR  12           H6        +C  12   5.595   5.643  -0.657
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1   5.091  -8.449   1.447
    2   2H5*    G   1          2H5*        G   1   5.448  -8.151   3.171
    3    H4*    G   1           H4*        G   1   7.213  -7.321   1.638
    4    H3*    G   1           H3*        G   1   5.546  -5.369   3.185
    5    H2*    G   1           H2*        G   1   6.489  -3.545   2.245
    6   2HO*    G   1          2HO*        G   1   8.651  -4.049   2.696
    7    H1*    G   1           H1*        G   1   7.127  -4.567  -0.263
    8    H8     G   1           H8         G   1   3.556  -5.173   0.355
    9    H1     G   1           H1         G   1   4.782   1.026  -0.427
   10   1H2     G   1          1H2         G   1   6.971   1.364  -0.303
   11   2H2     G   1          2H2         G   1   8.096   0.046  -0.037
   12    H5T    G   1           H5T        G   1   4.049  -6.290   2.968
   13   1H5*    G   2          1H5*        G   2  10.487  -4.062   3.479
   14   2H5*    G   2          2H5*        G   2  10.342  -4.284   5.246
   15    H4*    G   2           H4*        G   2  11.614  -2.261   4.705
   16    H3*    G   2           H3*        G   2   8.819  -1.933   5.758
   17    H2*    G   2           H2*        G   2   8.917   0.373   5.675
   18   2HO*    G   2          2HO*        G   2  11.473  -0.018   6.229
   19    H1*    G   2           H1*        G   2  10.199   0.637   3.281
   20    H8     G   2           H8         G   2   7.779  -2.239   3.273
   21    H1     G   2           H1         G   2   4.884   3.343   2.407
   22   1H2     G   2          1H2         G   2   6.282   5.006   2.761
   23   2H2     G   2          2H2         G   2   7.955   4.734   3.212
   24   1H5*    A   3          1H5*        A   3  10.768   0.905   7.675
   25   2H5*    A   3          2H5*        A   3  10.350   1.015   9.395
   26    H4*    A   3           H4*        A   3   9.872   3.133   8.268
   27    H3*    A   3           H3*        A   3   7.516   1.477   9.158
   28    H2*    A   3           H2*        A   3   6.057   3.118   8.457
   29   2HO*    A   3          2HO*        A   3   6.563   5.235   8.331
   30    H1*    A   3           H1*        A   3   7.479   4.018   6.265
   31    H8     A   3           H8         A   3   6.949   0.277   6.391
   32   1H6     A   3          1H6         A   3   1.327   1.357   4.112
   33   2H6     A   3          2H6         A   3   2.507   0.121   4.511
   34    H2     A   3           H2         A   3   3.232   5.305   5.192
   35   1H5*    C   4          1H5*        C   4   7.498   5.626  10.421
   36   2H5*    C   4          2H5*        C   4   6.904   5.841  12.081
   37    H4*    C   4           H4*        C   4   5.887   7.457  10.493
   38    H3*    C   4           H3*        C   4   4.228   5.407  11.925
   39    H2*    C   4           H2*        C   4   2.288   6.008  10.863
   40   2HO*    C   4          2HO*        C   4   3.357   8.446  11.083
   41    H1*    C   4           H1*        C   4   3.336   6.798   8.407
   42   1H4     C   4          1H4         C   4   0.406   1.277   7.381
   43   2H4     C   4          2H4         C   4   1.693   0.392   8.183
   44    H5     C   4           H5         C   4   3.543   1.476   9.298
   45    H6     C   4           H6         C   4   4.561   3.649   9.852
   46   1H5*    T   5          1H5*        T   5   1.741   8.360  12.009
   47   2H5*    T   5          2H5*        T   5   0.902   8.523  13.567
   48    H4*    T   5           H4*        T   5  -0.690   7.929  11.796
   49    H3*    T   5           H3*        T   5  -0.042   5.996  13.986
   50   1H2*    T   5          1H2*        T   5  -1.232   4.298  13.114
   51   2H2*    T   5          2H2*        T   5  -2.356   5.423  12.225
   52    H1*    T   5           H1*        T   5  -1.173   5.011  10.383
   53    H3     T   5           H3         T   5   0.234   0.773  10.196
   54   1H5M    T   5          1H5M        T   5   3.839   1.581  12.990
   55   2H5M    T   5          2H5M        T   5   4.149   3.285  12.579
   56   3H5M    T   5          3H5M        T   5   3.179   2.878  14.015
   57    H6     T   5           H6         T   5   1.752   4.639  12.610
   58   1H5*    T   6          1H5*        T   6  -3.730   5.506  14.175
   59   2H5*    T   6          2H5*        T   6  -4.419   5.021  15.729
   60    H4*    T   6           H4*        T   6  -3.886   3.220  13.874
   61    H3*    T   6           H3*        T   6  -4.189   3.109  16.666
   62   1H2*    T   6          1H2*        T   6  -2.017   2.793  17.253
   63   2H2*    T   6          2H2*        T   6  -2.373   1.068  16.756
   64    H1*    T   6           H1*        T   6  -1.270   1.305  14.760
   65    H3     T   6           H3         T   6   2.903   1.420  16.455
   66   1H5M    T   6          1H5M        T   6   2.715   5.999  17.080
   67   2H5M    T   6          2H5M        T   6   1.478   6.421  15.872
   68   3H5M    T   6          3H5M        T   6   1.012   6.170  17.571
   69    H6     T   6           H6         T   6  -0.560   4.697  15.962
   70   1H5*    C   7          1H5*        C   7  -8.381   1.526  16.567
   71   2H5*    C   7          2H5*        C   7  -8.283   0.993  14.877
   72    H4*    C   7           H4*        C   7 -10.132   2.586  15.217
   73    H3*    C   7           H3*        C   7  -8.087   2.810  13.250
   74    H1*    C   7           H1*        C   7  -9.808   5.783  15.113
   75   1H4     C   7          1H4         C   7  -5.313   8.916  18.619
   76   2H4     C   7          2H4         C   7  -4.606   9.300  17.065
   77    H5     C   7           H5         C   7  -5.395   8.380  15.001
   78    H6     C   7           H6         C   7  -6.964   6.817  13.968
   79   1H2*    C   7          1H2*        C   7  -7.279   4.826  13.813
   80   2H2*    C   7          2H2*        C   7  -8.821   5.458  13.067
   81   1H5*    G   8          1H5*        G   8 -10.418   1.675   9.028
   82   2H5*    G   8          2H5*        G   8  -8.901   0.976   9.665
   83    H4*    G   8           H4*        G   8  -9.270   3.509   7.981
   84    H3*    G   8           H3*        G   8  -9.229   0.826   7.150
   85    H1*    G   8           H1*        G   8  -6.092   3.144   7.034
   86    H8     G   8           H8         G   8  -5.199   3.175  10.191
   87    H1     G   8           H1         G   8  -1.880  -1.676   7.747
   88   1H2     G   8          1H2         G   8  -2.833  -2.368   5.875
   89   2H2     G   8          2H2         G   8  -4.279  -1.628   5.233
   90   1H2*    G   8          1H2*        G   8  -7.040   0.355   7.582
   91   2H2*    G   8          2H2*        G   8  -6.786   1.228   5.994
   92   1H5*  GAO   9          1H5*       +G   9  -9.616   4.293   4.651
   93   2H5*  GAO   9          2H5*       +G   9  -9.727   4.689   2.914
   94    H4*  GAO   9           H4*       +G   9  -8.077   6.061   4.241
   95    H3*  GAO   9           H3*       +G   9  -7.354   4.383   1.903
   96    H2*  GAO   9           H2*       +G   9  -5.029   5.859   2.725
   97   2HO*  GAO   9          2HO*       +C   9  -5.378   3.858   1.385
   98    H1*  GAO   9           H1*       +G   9  -5.324   5.716   4.953
   99    H8   GAO   9           H8        +G   9  -5.554   1.974   4.077
  100    H1   GAO   9           H1        +G   9  -0.317   3.641   7.275
  101   1H2   GAO   9          1H2        +G   9  -0.295   5.835   7.589
  102   2H2   GAO   9          2H2        +G   9  -1.594   6.864   7.015
  103   1H5*  UAR  10          1H5*       +U  10  -5.533   8.299   3.038
  104   2H5*  UAR  10          2H5*       +U  10  -5.109   9.362   1.679
  105    H4*  UAR  10           H4*       +U  10  -3.352   9.405   3.419
  106    H3*  UAR  10           H3*       +U  10  -2.861   8.423   0.667
  107    H2*  UAR  10           H2*       +U  10  -0.345   8.441   2.062
  108   2HO*  UAR  10          2HO*       +C  10  -1.966   6.515   0.725
  109    H1*  UAR  10           H1*       +U  10  -1.127   7.773   4.093
  110    H3   UAR  10           H3        +U  10   1.161   3.842   4.377
  111    H5   UAR  10           H5        +U  10  -2.459   2.782   2.514
  112    H6   UAR  10           H6        +U  10  -3.028   5.131   2.423
  113   1H5*  CAR  11          1H5*       +C  11   0.537  10.820   2.482
  114   2H5*  CAR  11          2H5*       +C  11   1.358  11.793   1.244
  115    H4*  CAR  11           H4*       +C  11   3.005  10.524   2.543
  116    H3*  CAR  11           H3*       +C  11   2.589  10.076  -0.345
  117    H2*  CAR  11           H2*       +C  11   4.709   8.317   0.365
  118   2HO*  CAR  11          2HO*       +C  11   2.017   7.936  -0.510
  119    H1*  CAR  11           H1*       +C  11   4.044   7.950   2.529
  120   1HN4  CAR  11          1H4        +C  11   2.537   1.809   1.859
  121   2HN4  CAR  11          2H4        +C  11   0.920   2.218   1.313
  122    H5   CAR  11           H5        +C  11   0.186   4.495   0.953
  123    H6   CAR  11           H6        +C  11   0.837   6.854   1.074
  124   1H5*  CAR  12          1H5*       +C  12   6.891   9.368   0.990
  125   2H5*  CAR  12          2H5*       +C  12   7.994   9.849  -0.317
  126    H4*  CAR  12           H4*       +C  12   8.489   7.559   0.389
  127    H3*  CAR  12           H3*       +C  12   7.338   8.061  -2.324
  128    H3T  CAR  12           H3T       +C  12   9.552   8.481  -1.782
  129    H2*  CAR  12           H2*       +C  12   8.337   5.345  -2.032
  130   2HO*  CAR  12          2HO*       +C  12   7.016   6.107  -3.747
  131    H1*  CAR  12           H1*       +C  12   7.526   5.002   0.050
  132   1HN4  CAR  12          1H4        +C  12   2.275   1.591  -1.018
  133   2HN4  CAR  12          2H4        +C  12   1.369   3.022  -1.481
  134    H5   CAR  12           H5        +C  12   2.356   5.226  -1.597
  135    H6   CAR  12           H6        +C  12   4.410   6.527  -1.287
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1   8.797  -8.099   0.664
    2   2H5*    G   1          2H5*        G   1   8.879  -8.040   2.446
    3    H4*    G   1           H4*        G   1  10.527  -6.556   1.312
    4    H3*    G   1           H3*        G   1   8.269  -5.338   2.883
    5    H2*    G   1           H2*        G   1   8.933  -3.210   2.406
    6   2HO*    G   1          2HO*        G   1  11.240  -3.904   2.936
    7    H1*    G   1           H1*        G   1   9.954  -3.607  -0.129
    8    H8     G   1           H8         G   1   6.555  -5.062  -0.011
    9    H1     G   1           H1         G   1   6.412   1.303   0.042
   10   1H2     G   1          1H2         G   1   8.447   2.087   0.445
   11   2H2     G   1          2H2         G   1   9.818   1.022   0.690
   12    H5T    G   1           H5T        G   1   7.044  -6.466   0.966
   13   1H5*    G   2          1H5*        G   2  12.031  -3.033   4.237
   14   2H5*    G   2          2H5*        G   2  11.851  -3.128   6.010
   15    H4*    G   2           H4*        G   2  12.359  -0.841   5.114
   16    H3*    G   2           H3*        G   2   9.737  -1.384   6.488
   17    H2*    G   2           H2*        G   2   8.972   0.726   6.131
   18   2HO*    G   2          2HO*        G   2  10.228   2.481   6.171
   19    H1*    G   2           H1*        G   2  10.357   1.328   3.768
   20    H8     G   2           H8         G   2   8.228  -1.788   3.673
   21    H1     G   2           H1         G   2   4.883   3.535   2.773
   22   1H2     G   2          1H2         G   2   6.144   5.301   3.203
   23   2H2     G   2          2H2         G   2   7.818   5.147   3.703
   24   1H5*    A   3          1H5*        A   3  11.516   2.422   8.174
   25   2H5*    A   3          2H5*        A   3  11.090   2.471   9.896
   26    H4*    A   3           H4*        A   3  10.438   4.541   8.655
   27    H3*    A   3           H3*        A   3   8.317   2.810   9.925
   28    H2*    A   3           H2*        A   3   6.651   4.251   9.227
   29   2HO*    A   3          2HO*        A   3   8.381   6.087   9.834
   30    H1*    A   3           H1*        A   3   7.773   5.081   6.838
   31    H8     A   3           H8         A   3   7.575   1.325   7.434
   32   1H6     A   3          1H6         A   3   1.863   1.661   5.161
   33   2H6     A   3          2H6         A   3   3.151   0.582   5.673
   34    H2     A   3           H2         A   3   3.445   5.857   5.712
   35   1H5*    C   4          1H5*        C   4   7.926   7.197  11.005
   36   2H5*    C   4          2H5*        C   4   7.216   7.343  12.624
   37    H4*    C   4           H4*        C   4   6.044   8.677  10.820
   38    H3*    C   4           H3*        C   4   4.664   6.603  12.497
   39    H2*    C   4           H2*        C   4   2.686   6.796  11.376
   40   2HO*    C   4          2HO*        C   4   1.919   8.661  10.696
   41    H1*    C   4           H1*        C   4   3.649   7.538   8.853
   42   1H4     C   4          1H4         C   4   1.203   1.713   8.385
   43   2H4     C   4          2H4         C   4   2.537   1.027   9.294
   44    H5     C   4           H5         C   4   4.309   2.368  10.257
   45    H6     C   4           H6         C   4   5.130   4.659  10.586
   46   1H5*    T   5          1H5*        T   5   1.890   9.713  12.293
   47   2H5*    T   5          2H5*        T   5   1.019   9.892  13.831
   48    H4*    T   5           H4*        T   5  -0.501   9.309  11.945
   49    H3*    T   5           H3*        T   5  -0.124   7.503  14.311
   50   1H2*    T   5          1H2*        T   5  -1.299   5.787  13.436
   51   2H2*    T   5          2H2*        T   5  -2.320   6.887  12.413
   52    H1*    T   5           H1*        T   5  -1.032   6.321  10.686
   53    H3     T   5           H3         T   5   0.349   2.086  10.708
   54   1H5M    T   5          1H5M        T   5   4.023   4.624  13.425
   55   2H5M    T   5          2H5M        T   5   2.932   4.183  14.760
   56   3H5M    T   5          3H5M        T   5   3.698   2.910  13.781
   57    H6     T   5           H6         T   5   1.669   5.970  13.197
   58   1H5*    T   6          1H5*        T   6  -4.033   8.589  12.445
   59   2H5*    T   6          2H5*        T   6  -5.514   8.403  13.403
   60    H4*    T   6           H4*        T   6  -5.556   7.336  11.093
   61    H3*    T   6           H3*        T   6  -6.524   6.315  13.591
   62   1H2*    T   6          1H2*        T   6  -5.370   4.384  13.635
   63   2H2*    T   6          2H2*        T   6  -6.519   3.866  12.312
   64    H1*    T   6           H1*        T   6  -4.972   4.264  10.663
   65    H3     T   6           H3         T   6  -2.229   0.790  11.213
   66   1H5M    T   6          1H5M        T   6  -1.710   3.429  15.717
   67   2H5M    T   6          2H5M        T   6  -0.334   2.512  15.059
   68   3H5M    T   6          3H5M        T   6  -0.487   4.252  14.720
   69    H6     T   6           H6         T   6  -2.999   4.771  13.784
   70   1H5*    C   7          1H5*        C   7  -8.172   3.115  11.062
   71   2H5*    C   7          2H5*        C   7  -9.788   3.763  10.735
   72    H4*    C   7           H4*        C   7  -9.782   1.295  11.056
   73    H3*    C   7           H3*        C   7 -11.515   3.184  12.259
   74    H1*    C   7           H1*        C   7 -10.132  -0.023  14.046
   75   1H4     C   7          1H4         C   7  -7.709   1.540  19.704
   76   2H4     C   7          2H4         C   7  -6.851   2.890  19.002
   77    H5     C   7           H5         C   7  -7.062   3.529  16.697
   78    H6     C   7           H6         C   7  -8.145   3.010  14.565
   79   1H2*    C   7          1H2*        C   7 -11.012   2.813  14.426
   80   2H2*    C   7          2H2*        C   7 -11.999   1.291  14.195
   81   1H5*    G   8          1H5*        G   8 -11.401   1.085   7.493
   82   2H5*    G   8          2H5*        G   8 -11.151  -0.099   8.809
   83    H4*    G   8           H4*        G   8  -9.217   2.039   7.770
   84    H3*    G   8           H3*        G   8  -9.804  -0.526   6.747
   85    H1*    G   8           H1*        G   8  -6.732   0.229   9.072
   86    H8     G   8           H8         G   8  -5.623  -1.432  10.740
   87    H1     G   8           H1         G   8 -11.177  -2.848  13.512
   88   1H2     G   8          1H2         G   8 -12.839  -1.925  12.379
   89   2H2     G   8          2H2         G   8 -12.576  -0.961  10.946
   90   1H2*    G   8          1H2*        G   8  -8.815  -1.795   8.338
   91   2H2*    G   8          2H2*        G   8  -7.277  -1.316   7.471
   92   1H5*  GAO   9          1H5*       +G   9  -9.451   4.858   6.893
   93   2H5*  GAO   9          2H5*       +G   9  -9.639   4.416   5.175
   94    H4*  GAO   9           H4*       +G   9  -7.880   6.227   5.973
   95    H3*  GAO   9           H3*       +G   9  -7.692   4.135   3.905
   96    H2*  GAO   9           H2*       +G   9  -5.133   5.385   3.911
   97   2HO*  GAO   9          2HO*       +C   9  -6.284   2.837   4.180
   98    H1*  GAO   9           H1*       +G   9  -5.047   5.909   6.120
   99    H8   GAO   9           H8        +G   9  -5.330   2.046   6.223
  100    H1   GAO   9           H1        +G   9   0.267   4.427   8.090
  101   1H2   GAO   9          1H2        +G   9   0.236   6.635   7.918
  102   2H2   GAO   9          2H2        +G   9  -1.185   7.498   7.354
  103   1H5*  UAR  10          1H5*       +U  10  -5.579   8.132   4.212
  104   2H5*  UAR  10          2H5*       +U  10  -5.393   8.972   2.659
  105    H4*  UAR  10           H4*       +U  10  -3.423   9.310   4.137
  106    H3*  UAR  10           H3*       +U  10  -3.229   7.933   1.501
  107    H2*  UAR  10           H2*       +U  10  -0.596   8.464   2.600
  108   2HO*  UAR  10          2HO*       +C  10  -1.219   7.071   0.814
  109    H1*  UAR  10           H1*       +U  10  -1.061   7.887   4.734
  110    H3   UAR  10           H3        +U  10   1.559   4.188   5.069
  111    H5   UAR  10           H5        +U  10  -2.165   2.685   3.805
  112    H6   UAR  10           H6        +U  10  -2.939   4.971   3.567
  113   1H5*  CAR  11          1H5*       +C  11  -0.069  10.680   2.752
  114   2H5*  CAR  11          2H5*       +C  11   0.705  11.628   1.464
  115    H4*  CAR  11           H4*       +C  11   2.393  10.547   2.909
  116    H3*  CAR  11           H3*       +C  11   2.124   9.935   0.022
  117    H2*  CAR  11           H2*       +C  11   4.424   8.520   0.981
  118   2HO*  CAR  11          2HO*       +C  11   3.040   8.182  -0.927
  119    H1*  CAR  11           H1*       +C  11   3.622   8.045   3.057
  120   1HN4  CAR  11          1H4        +C  11   2.645   1.809   2.153
  121   2HN4  CAR  11          2H4        +C  11   1.022   2.115   1.557
  122    H5   CAR  11           H5        +C  11   0.124   4.340   1.260
  123    H6   CAR  11           H6        +C  11   0.597   6.736   1.459
  124   1H5*  CAR  12          1H5*       +C  12   6.387   9.882   1.699
  125   2H5*  CAR  12          2H5*       +C  12   7.473  10.612   0.497
  126    H4*  CAR  12           H4*       +C  12   8.437   8.515   1.289
  127    H3*  CAR  12           H3*       +C  12   7.506   8.802  -1.513
  128    H3T  CAR  12           H3T       +C  12   9.960   8.061  -0.238
  129    H2*  CAR  12           H2*       +C  12   8.808   6.255  -1.281
  130   2HO*  CAR  12          2HO*       +C  12   7.316   6.958  -2.915
  131    H1*  CAR  12           H1*       +C  12   8.117   5.784   0.841
  132   1HN4  CAR  12          1H4        +C  12   3.786   1.316  -0.504
  133   2HN4  CAR  12          2H4        +C  12   2.566   2.536  -0.820
  134    H5   CAR  12           H5        +C  12   3.012   4.904  -0.745
  135    H6   CAR  12           H6        +C  12   4.727   6.611  -0.363
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1  11.053   1.826   7.056
    2   2H5*    G   1          2H5*        G   1  10.464   1.040   5.566
    3    H4*    G   1           H4*        G   1  10.292  -0.339   7.669
    4    H3*    G   1           H3*        G   1   7.836   0.496   6.154
    5    H2*    G   1           H2*        G   1   6.416  -0.440   7.638
    6   2HO*    G   1          2HO*        G   1   7.238  -2.527   7.681
    7    H1*    G   1           H1*        G   1   7.918  -0.174   9.969
    8    H8     G   1           H8         G   1   7.520   3.128   8.339
    9    H1     G   1           H1         G   1   2.005   0.922  10.648
   10   1H2     G   1          1H2         G   1   2.244  -1.205  11.232
   11   2H2     G   1          2H2         G   1   3.770  -2.047  11.043
   12    H5T    G   1           H5T        G   1   8.486   2.252   5.927
   13   1H5*    G   2          1H5*        G   2   8.154  -4.158   7.369
   14   2H5*    G   2          2H5*        G   2   7.698  -4.901   5.810
   15    H4*    G   2           H4*        G   2   6.781  -6.075   7.827
   16    H3*    G   2           H3*        G   2   4.971  -4.721   5.851
   17    H2*    G   2           H2*        G   2   3.052  -5.218   7.034
   18   2HO*    G   2          2HO*        G   2   4.343  -7.430   7.617
   19    H1*    G   2           H1*        G   2   3.975  -4.818   9.565
   20    H8     G   2           H8         G   2   5.444  -2.208   7.410
   21    H1     G   2           H1         G   2  -0.665  -1.016   8.607
   22   1H2     G   2          1H2         G   2  -1.639  -2.785   9.493
   23   2H2     G   2          2H2         G   2  -0.762  -4.272   9.801
   24   1H5*    A   3          1H5*        A   3   2.678  -7.857   6.860
   25   2H5*    A   3          2H5*        A   3   2.431  -8.847   5.407
   26    H4*    A   3           H4*        A   3   0.267  -8.475   6.328
   27    H3*    A   3           H3*        A   3   0.955  -6.724   3.982
   28    H2*    A   3           H2*        A   3  -1.149  -5.750   4.020
   29   2HO*    A   3          2HO*        A   3  -2.912  -6.692   4.867
   30    H1*    A   3           H1*        A   3  -1.462  -5.579   6.717
   31    H8     A   3           H8         A   3   1.977  -4.614   5.391
   32   1H6     A   3          1H6         A   3  -0.301   1.091   4.796
   33   2H6     A   3          2H6         A   3   1.152   0.114   4.729
   34    H2     A   3           H2         A   3  -3.672  -1.713   5.845
   35   1H5*    C   4          1H5*        C   4  -2.609  -8.473   3.208
   36   2H5*    C   4          2H5*        C   4  -3.032  -8.787   1.512
   37    H4*    C   4           H4*        C   4  -4.597  -7.190   2.557
   38    H3*    C   4           H3*        C   4  -2.772  -6.304   0.349
   39    H2*    C   4           H2*        C   4  -3.498  -4.145   0.419
   40   2HO*    C   4          2HO*        C   4  -5.619  -4.083   0.305
   41    H1*    C   4           H1*        C   4  -4.141  -3.985   3.141
   42   1H4     C   4          1H4         C   4   0.901  -0.298   2.173
   43   2H4     C   4          2H4         C   4   1.938  -1.680   1.891
   44    H5     C   4           H5         C   4   1.107  -3.961   1.842
   45    H6     C   4           H6         C   4  -0.887  -5.367   2.053
   46   1H5*    T   5          1H5*        T   5  -6.538  -4.973  -0.837
   47   2H5*    T   5          2H5*        T   5  -6.797  -5.118  -2.588
   48    H4*    T   5           H4*        T   5  -6.979  -2.768  -1.867
   49    H3*    T   5           H3*        T   5  -4.771  -3.698  -3.653
   50   1H2*    T   5          1H2*        T   5  -3.644  -1.729  -3.645
   51   2H2*    T   5          2H2*        T   5  -5.144  -0.779  -3.234
   52    H1*    T   5           H1*        T   5  -4.372  -0.743  -1.133
   53    H3     T   5           H3         T   5   0.068  -0.836  -0.563
   54   1H5M    T   5          1H5M        T   5  -1.144  -5.653  -2.433
   55   2H5M    T   5          2H5M        T   5  -1.095  -5.837  -0.667
   56   3H5M    T   5          3H5M        T   5   0.367  -5.340  -1.549
   57    H6     T   5           H6         T   5  -3.143  -4.169  -1.837
   58   1H5*    T   6          1H5*        T   6  -5.652  -0.582  -5.577
   59   2H5*    T   6          2H5*        T   6  -5.359  -0.535  -7.321
   60    H4*    T   6           H4*        T   6  -3.618   0.551  -5.706
   61    H3*    T   6           H3*        T   6  -3.385  -0.547  -8.273
   62   1H2*    T   6          1H2*        T   6  -2.355  -2.505  -7.720
   63   2H2*    T   6          2H2*        T   6  -0.877  -1.428  -7.716
   64    H1*    T   6           H1*        T   6  -0.831  -1.319  -5.425
   65    H3     T   6           H3         T   6   0.701  -5.454  -4.651
   66   1H5M    T   6          1H5M        T   6  -3.503  -7.335  -4.987
   67   2H5M    T   6          2H5M        T   6  -4.238  -6.274  -6.213
   68   3H5M    T   6          3H5M        T   6  -4.491  -5.942  -4.483
   69    H6     T   6           H6         T   6  -3.622  -3.711  -5.773
   70   1H5*    C   7          1H5*        C   7  -1.871   3.399  -5.030
   71   2H5*    C   7          2H5*        C   7  -2.276   4.766  -6.084
   72    H4*    C   7           H4*        C   7  -0.375   5.305  -4.625
   73    H3*    C   7           H3*        C   7  -0.416   5.539  -7.462
   74    H1*    C   7           H1*        C   7   2.692   4.528  -5.328
   75   1H4     C   7          1H4         C   7   5.537  -0.622  -7.692
   76   2H4     C   7          2H4         C   7   3.998  -1.385  -8.018
   77    H5     C   7           H5         C   7   1.883  -0.305  -7.619
   78    H6     C   7           H6         C   7   0.791   1.742  -6.831
   79   1H2*    C   7          1H2*        C   7   1.312   4.190  -7.960
   80   2H2*    C   7          2H2*        C   7   2.334   5.569  -7.330
   81   1H5*    G   8          1H5*        G   8  -1.823   9.122  -3.802
   82   2H5*    G   8          2H5*        G   8  -0.401   8.076  -3.531
   83    H4*    G   8           H4*        G   8  -3.362   7.393  -3.118
   84    H3*    G   8           H3*        G   8  -1.618   8.870  -1.473
   85    H1*    G   8           H1*        G   8  -2.345   5.060  -0.944
   86    H8     G   8           H8         G   8  -0.818   3.153  -0.120
   87    H1     G   8           H1         G   8   4.165   5.157  -3.541
   88   1H2     G   8          1H2         G   8   3.650   7.046  -4.576
   89   2H2     G   8          2H2         G   8   2.082   7.799  -4.422
   90   1H2*    G   8          1H2*        G   8  -0.248   7.195  -0.800
   91   2H2*    G   8          2H2*        G   8  -1.627   6.819   0.335
   92   1H5*  GAO   9          1H5*       +G   9  -5.909   8.111  -0.808
   93   2H5*  GAO   9          2H5*       +G   9  -7.066   9.033   0.188
   94    H4*  GAO   9           H4*       +G   9  -7.427   6.746   0.692
   95    H3*  GAO   9           H3*       +G   9  -5.825   8.234   2.690
   96    H2*  GAO   9           H2*       +G   9  -6.254   5.610   3.746
   97   2HO*  GAO   9          2HO*       +C   9  -3.896   7.008   2.902
   98    H1*  GAO   9           H1*       +G   9  -6.206   4.491   1.760
   99    H8   GAO   9           H8        +G   9  -2.687   6.115   1.852
  100    H1   GAO   9           H1        +G   9  -2.717  -0.233   2.122
  101   1H2   GAO   9          1H2        +G   9  -4.799  -0.980   2.157
  102   2H2   GAO   9          2H2        +G   9  -6.174   0.105   2.102
  103   1H5*  UAR  10          1H5*       +U  10  -9.073   5.364   3.892
  104   2H5*  UAR  10          2H5*       +U  10  -9.792   5.537   5.506
  105    H4*  UAR  10           H4*       +U  10  -9.120   3.193   5.012
  106    H3*  UAR  10           H3*       +U  10  -7.958   4.755   7.269
  107    H2*  UAR  10           H2*       +U  10  -7.153   1.978   7.440
  108   2HO*  UAR  10          2HO*       +C  10  -6.029   4.558   7.538
  109    H1*  UAR  10           H1*       +U  10  -6.841   1.653   5.223
  110    H3   UAR  10           H3        +U  10  -2.446   0.711   5.153
  111    H5   UAR  10           H5        +U  10  -2.520   4.903   4.888
  112    H6   UAR  10           H6        +U  10  -4.921   4.814   5.208
  113   1H5*  CAR  11          1H5*       +C  11  -9.028   0.299   8.147
  114   2H5*  CAR  11          2H5*       +C  11  -9.566   0.211   9.839
  115    H4*  CAR  11           H4*       +C  11  -7.891  -1.537   9.368
  116    H3*  CAR  11           H3*       +C  11  -7.458   0.618  11.335
  117    H2*  CAR  11           H2*       +C  11  -5.118  -1.004  11.473
  118   2HO*  CAR  11          2HO*       +C  11  -5.582   1.684  10.614
  119    H1*  CAR  11           H1*       +C  11  -5.065  -1.633   9.275
  120   1HN4  CAR  11          1H4        +C  11   0.003   1.777   7.484
  121   2HN4  CAR  11          2H4        +C  11  -0.976   3.223   7.303
  122    H5   CAR  11           H5        +C  11  -3.324   3.298   7.844
  123    H6   CAR  11           H6        +C  11  -5.239   2.005   8.647
  124   1H5*  CAR  12          1H5*       +C  12  -5.622  -3.400  12.046
  125   2H5*  CAR  12          2H5*       +C  12  -5.575  -3.880  13.755
  126    H4*  CAR  12           H4*       +C  12  -3.390  -4.256  12.683
  127    H3*  CAR  12           H3*       +C  12  -3.742  -2.305  14.893
  128    H3T  CAR  12           H3T       +C  12  -2.157  -3.802  15.777
  129    H2*  CAR  12           H2*       +C  12  -0.935  -2.521  14.322
  130   2HO*  CAR  12          2HO*       +C  12  -1.151  -0.277  14.380
  131    H1*  CAR  12           H1*       +C  12  -1.136  -2.768  12.067
  132   1HN4  CAR  12          1H4        +C  12   0.880   2.985  10.245
  133   2HN4  CAR  12          2H4        +C  12  -0.716   3.668  10.489
  134    H5   CAR  12           H5        +C  12  -2.582   2.403  11.349
  135    H6   CAR  12           H6        +C  12  -3.309   0.219  12.192
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1  10.834   3.338   6.935
    2   2H5*    G   1          2H5*        G   1  10.581   2.119   5.655
    3    H4*    G   1           H4*        G   1  10.547   1.175   7.955
    4    H3*    G   1           H3*        G   1   8.014   1.228   6.342
    5    H2*    G   1           H2*        G   1   6.775   0.296   7.994
    6   2HO*    G   1          2HO*        G   1   8.062  -1.513   8.409
    7    H1*    G   1           H1*        G   1   8.108   1.330  10.203
    8    H8     G   1           H8         G   1   7.209   4.136   8.018
    9    H1     G   1           H1         G   1   2.028   1.450  10.563
   10   1H2     G   1          1H2         G   1   2.576  -0.496  11.475
   11   2H2     G   1          2H2         G   1   4.222  -1.101  11.446
   12    H5T    G   1           H5T        G   1   8.559   3.834   6.701
   13   1H5*    G   2          1H5*        G   2   8.878  -3.178   8.495
   14   2H5*    G   2          2H5*        G   2   8.875  -3.991   6.904
   15    H4*    G   2           H4*        G   2   7.728  -5.333   8.620
   16    H3*    G   2           H3*        G   2   6.092  -3.995   6.485
   17    H2*    G   2           H2*        G   2   4.097  -4.819   7.311
   18   2HO*    G   2          2HO*        G   2   5.536  -6.904   7.952
   19    H1*    G   2           H1*        G   2   4.571  -4.446   9.964
   20    H8     G   2           H8         G   2   6.087  -1.685   7.935
   21    H1     G   2           H1         G   2  -0.150  -0.866   8.755
   22   1H2     G   2          1H2         G   2  -1.064  -2.674   9.631
   23   2H2     G   2          2H2         G   2  -0.117  -4.096  10.024
   24   1H5*    A   3          1H5*        A   3   4.506  -7.646   6.605
   25   2H5*    A   3          2H5*        A   3   4.239  -8.357   5.001
   26    H4*    A   3           H4*        A   3   2.130  -8.264   6.213
   27    H3*    A   3           H3*        A   3   2.505  -6.357   3.916
   28    H2*    A   3           H2*        A   3   0.364  -5.530   4.183
   29   2HO*    A   3          2HO*        A   3  -1.272  -6.627   5.143
   30    H1*    A   3           H1*        A   3   0.221  -5.580   6.904
   31    H8     A   3           H8         A   3   3.443  -4.153   5.497
   32   1H6     A   3          1H6         A   3   0.416   1.181   4.934
   33   2H6     A   3          2H6         A   3   1.982   0.398   4.832
   34    H2     A   3           H2         A   3  -2.533  -2.039   6.084
   35   1H5*    C   4          1H5*        C   4  -1.137  -8.540   3.605
   36   2H5*    C   4          2H5*        C   4  -1.623  -8.952   1.948
   37    H4*    C   4           H4*        C   4  -3.423  -7.778   3.189
   38    H3*    C   4           H3*        C   4  -2.146  -6.576   0.758
   39    H2*    C   4           H2*        C   4  -3.305  -4.605   0.917
   40   2HO*    C   4          2HO*        C   4  -5.276  -6.170   1.570
   41    H1*    C   4           H1*        C   4  -3.534  -4.406   3.669
   42   1H4     C   4          1H4         C   4   0.903  -0.184   2.039
   43   2H4     C   4          2H4         C   4   2.063  -1.455   1.711
   44    H5     C   4           H5         C   4   1.507  -3.806   1.816
   45    H6     C   4           H6         C   4  -0.288  -5.426   2.262
   46   1H5*    T   5          1H5*        T   5  -6.214  -5.664   0.081
   47   2H5*    T   5          2H5*        T   5  -6.581  -6.011  -1.621
   48    H4*    T   5           H4*        T   5  -7.043  -3.663  -1.115
   49    H3*    T   5           H3*        T   5  -4.772  -4.365  -2.946
   50   1H2*    T   5          1H2*        T   5  -4.058  -2.217  -3.158
   51   2H2*    T   5          2H2*        T   5  -5.700  -1.543  -2.748
   52    H1*    T   5           H1*        T   5  -4.890  -1.178  -0.693
   53    H3     T   5           H3         T   5  -0.514  -0.269  -0.427
   54   1H5M    T   5          1H5M        T   5   0.701  -4.690  -1.077
   55   2H5M    T   5          2H5M        T   5  -0.724  -5.362  -1.903
   56   3H5M    T   5          3H5M        T   5  -0.617  -5.417  -0.130
   57    H6     T   5           H6         T   5  -2.982  -4.304  -1.251
   58   1H5*    T   6          1H5*        T   6  -6.863  -1.471  -4.865
   59   2H5*    T   6          2H5*        T   6  -6.810  -1.399  -6.634
   60    H4*    T   6           H4*        T   6  -5.574   0.462  -5.355
   61    H3*    T   6           H3*        T   6  -4.972  -0.820  -7.787
   62   1H2*    T   6          1H2*        T   6  -3.122  -1.972  -7.149
   63   2H2*    T   6          2H2*        T   6  -2.313  -0.343  -7.336
   64    H1*    T   6           H1*        T   6  -2.262   0.011  -5.081
   65    H3     T   6           H3         T   6   0.765  -2.874  -3.491
   66   1H5M    T   6          1H5M        T   6  -1.728  -6.582  -4.659
   67   2H5M    T   6          2H5M        T   6  -2.560  -5.955  -6.102
   68   3H5M    T   6          3H5M        T   6  -3.374  -5.917  -4.520
   69    H6     T   6           H6         T   6  -3.507  -3.464  -5.601
   70   1H5*    C   7          1H5*        C   7  -3.858   3.560  -6.700
   71   2H5*    C   7          2H5*        C   7  -4.066   4.511  -8.187
   72    H4*    C   7           H4*        C   7  -2.659   5.695  -6.543
   73    H3*    C   7           H3*        C   7  -2.004   5.199  -9.263
   74    H1*    C   7           H1*        C   7   0.542   5.222  -6.305
   75   1H4     C   7          1H4         C   7   4.292   0.113  -6.537
   76   2H4     C   7          2H4         C   7   2.915  -0.939  -6.761
   77    H5     C   7           H5         C   7   0.659  -0.122  -6.995
   78    H6     C   7           H6         C   7  -0.749   1.881  -7.078
   79   1H2*    C   7          1H2*        C   7  -0.112   4.013  -8.963
   80   2H2*    C   7          2H2*        C   7   0.617   5.639  -8.551
   81   1H5*    G   8          1H5*        G   8  -3.415   9.446  -5.817
   82   2H5*    G   8          2H5*        G   8  -1.868   8.554  -5.890
   83    H4*    G   8           H4*        G   8  -4.444   7.724  -4.443
   84    H3*    G   8           H3*        G   8  -2.522   9.636  -3.652
   85    H1*    G   8           H1*        G   8  -2.590   5.947  -2.367
   86    H8     G   8           H8         G   8   0.747   7.263  -3.538
   87    H1     G   8           H1         G   8   0.468   0.907  -3.508
   88   1H2     G   8          1H2         G   8  -1.606   0.249  -3.182
   89   2H2     G   8          2H2         G   8  -2.928   1.377  -2.973
   90   1H2*    G   8          1H2*        G   8  -0.821   8.240  -3.132
   91   2H2*    G   8          2H2*        G   8  -1.791   7.951  -1.613
   92   1H5*  GAO   9          1H5*       +G   9  -5.888   7.837  -1.174
   93   2H5*  GAO   9          2H5*       +G   9  -6.493   8.893   0.133
   94    H4*  GAO   9           H4*       +G   9  -7.064   6.469   0.399
   95    H3*  GAO   9           H3*       +G   9  -5.502   8.032   2.349
   96    H2*  GAO   9           H2*       +G   9  -5.686   5.435   3.484
   97   2HO*  GAO   9          2HO*       +C   9  -3.579   7.094   2.542
   98    H1*  GAO   9           H1*       +G   9  -5.716   4.245   1.548
   99    H8   GAO   9           H8        +G   9  -2.288   6.011   1.263
  100    H1   GAO   9           H1        +G   9  -2.046  -0.271   2.195
  101   1H2   GAO   9          1H2        +G   9  -4.107  -1.067   2.427
  102   2H2   GAO   9          2H2        +G   9  -5.516  -0.030   2.335
  103   1H5*  UAR  10          1H5*       +U  10  -8.461   4.527   3.355
  104   2H5*  UAR  10          2H5*       +U  10  -9.310   4.876   4.876
  105    H4*  UAR  10           H4*       +U  10  -8.710   2.471   4.702
  106    H3*  UAR  10           H3*       +U  10  -7.692   4.254   6.834
  107    H2*  UAR  10           H2*       +U  10  -6.771   1.584   7.385
  108   2HO*  UAR  10          2HO*       +C  10  -6.062   3.775   8.126
  109    H1*  UAR  10           H1*       +U  10  -6.308   0.965   5.255
  110    H3   UAR  10           H3        +U  10  -1.819   0.442   5.296
  111    H5   UAR  10           H5        +U  10  -2.315   4.568   4.651
  112    H6   UAR  10           H6        +U  10  -4.697   4.260   4.956
  113   1H5*  CAR  11          1H5*       +C  11  -8.607  -0.052   7.877
  114   2H5*  CAR  11          2H5*       +C  11  -9.185  -0.248   9.546
  115    H4*  CAR  11           H4*       +C  11  -7.368  -1.847   9.037
  116    H3*  CAR  11           H3*       +C  11  -7.170   0.209  11.146
  117    H2*  CAR  11           H2*       +C  11  -4.734  -1.262  11.294
  118   2HO*  CAR  11          2HO*       +C  11  -5.282   0.946  11.973
  119    H1*  CAR  11           H1*       +C  11  -4.569  -1.765   9.073
  120   1HN4  CAR  11          1H4        +C  11   0.407   1.912   7.623
  121   2HN4  CAR  11          2H4        +C  11  -0.639   3.297   7.351
  122    H5   CAR  11           H5        +C  11  -3.020   3.247   7.760
  123    H6   CAR  11           H6        +C  11  -4.901   1.854   8.479
  124   1H5*  CAR  12          1H5*       +C  12  -4.867  -3.635  12.068
  125   2H5*  CAR  12          2H5*       +C  12  -4.905  -3.933  13.819
  126    H4*  CAR  12           H4*       +C  12  -2.591  -3.979  13.008
  127    H3*  CAR  12           H3*       +C  12  -3.501  -1.796  14.832
  128    H3T  CAR  12           H3T       +C  12  -2.010  -2.922  16.183
  129    H2*  CAR  12           H2*       +C  12  -0.612  -1.822  14.535
  130   2HO*  CAR  12          2HO*       +C  12  -1.016   0.391  14.388
  131    H1*  CAR  12           H1*       +C  12  -0.584  -2.207  12.307
  132   1HN4  CAR  12          1H4        +C  12   0.506   3.586   9.917
  133   2HN4  CAR  12          2H4        +C  12  -1.173   4.044  10.131
  134    H5   CAR  12           H5        +C  12  -2.816   2.603  11.147
  135    H6   CAR  12           H6        +C  12  -3.211   0.413  12.169
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1  11.580   1.092  10.456
    2   2H5*    G   1          2H5*        G   1  11.678   0.486   8.779
    3    H4*    G   1           H4*        G   1  10.864  -1.192  10.445
    4    H3*    G   1           H3*        G   1   9.021  -0.190   8.290
    5    H2*    G   1           H2*        G   1   7.283  -1.482   9.023
    6   2HO*    G   1          2HO*        G   1   7.535  -3.418   9.864
    7    H1*    G   1           H1*        G   1   7.792  -1.411  11.741
    8    H8     G   1           H8         G   1   7.867   2.053  10.324
    9    H1     G   1           H1         G   1   1.935  -0.153  11.006
   10   1H2     G   1          1H2         G   1   1.978  -2.318  11.437
   11   2H2     G   1          2H2         G   1   3.480  -3.211  11.558
   12    H5T    G   1           H5T        G   1   9.583   2.085   9.869
   13   1H5*    G   2          1H5*        G   2   8.546  -4.360   8.474
   14   2H5*    G   2          2H5*        G   2   8.423  -5.092   6.850
   15    H4*    G   2           H4*        G   2   6.548  -5.645   8.433
   16    H3*    G   2           H3*        G   2   6.005  -4.082   5.916
   17    H2*    G   2           H2*        G   2   3.816  -3.842   6.408
   18   2HO*    G   2          2HO*        G   2   3.083  -5.868   6.637
   19    H1*    G   2           H1*        G   2   3.964  -4.053   9.220
   20    H8     G   2           H8         G   2   5.818  -1.145   7.668
   21    H1     G   2           H1         G   2  -0.432  -0.182   8.197
   22   1H2     G   2          1H2         G   2  -1.444  -2.076   8.741
   23   2H2     G   2          2H2         G   2  -0.549  -3.563   8.983
   24   1H5*    A   3          1H5*        A   3   3.074  -7.737   6.548
   25   2H5*    A   3          2H5*        A   3   2.931  -8.391   4.904
   26    H4*    A   3           H4*        A   3   0.722  -8.204   5.960
   27    H3*    A   3           H3*        A   3   1.402  -6.424   3.638
   28    H2*    A   3           H2*        A   3  -0.682  -5.404   3.675
   29   2HO*    A   3          2HO*        A   3  -1.466  -7.825   4.489
   30    H1*    A   3           H1*        A   3  -1.073  -5.323   6.387
   31    H8     A   3           H8         A   3   2.375  -4.333   5.124
   32   1H6     A   3          1H6         A   3   0.135   1.401   4.730
   33   2H6     A   3          2H6         A   3   1.584   0.414   4.637
   34    H2     A   3           H2         A   3  -3.258  -1.414   5.665
   35   1H5*    C   4          1H5*        C   4  -2.264  -7.574   2.938
   36   2H5*    C   4          2H5*        C   4  -2.646  -7.959   1.250
   37    H4*    C   4           H4*        C   4  -4.050  -6.126   2.047
   38    H3*    C   4           H3*        C   4  -1.928  -5.468   0.017
   39    H2*    C   4           H2*        C   4  -2.604  -3.291  -0.068
   40   2HO*    C   4          2HO*        C   4  -4.772  -3.599  -0.521
   41    H1*    C   4           H1*        C   4  -3.612  -3.112   2.583
   42   1H4     C   4          1H4         C   4   1.307   0.870   2.073
   43   2H4     C   4          2H4         C   4   2.437  -0.463   1.945
   44    H5     C   4           H5         C   4   1.737  -2.782   1.873
   45    H6     C   4           H6         C   4  -0.186  -4.295   1.935
   46   1H5*    T   5          1H5*        T   5  -5.502  -4.740  -2.178
   47   2H5*    T   5          2H5*        T   5  -5.291  -4.881  -3.934
   48    H4*    T   5           H4*        T   5  -5.691  -2.536  -3.219
   49    H3*    T   5           H3*        T   5  -3.121  -3.369  -4.523
   50   1H2*    T   5          1H2*        T   5  -2.104  -1.370  -4.213
   51   2H2*    T   5          2H2*        T   5  -3.692  -0.474  -4.194
   52    H1*    T   5           H1*        T   5  -3.509  -0.430  -1.965
   53    H3     T   5           H3         T   5   0.669  -0.039  -0.425
   54   1H5M    T   5          1H5M        T   5   1.682  -4.461  -1.231
   55   2H5M    T   5          2H5M        T   5   0.690  -4.768  -2.676
   56   3H5M    T   5          3H5M        T   5   0.064  -5.184  -1.063
   57    H6     T   5           H6         T   5  -1.767  -3.677  -2.390
   58   1H5*    T   6          1H5*        T   6  -3.278  -0.160  -6.596
   59   2H5*    T   6          2H5*        T   6  -3.480  -0.407  -8.338
   60    H4*    T   6           H4*        T   6  -1.404   0.924  -7.589
   61    H3*    T   6           H3*        T   6  -1.785  -0.908  -9.702
   62   1H2*    T   6          1H2*        T   6  -0.486  -2.603  -8.975
   63   2H2*    T   6          2H2*        T   6   0.876  -1.537  -9.566
   64    H1*    T   6           H1*        T   6   1.427  -0.887  -7.443
   65    H3     T   6           H3         T   6   3.168  -4.874  -6.251
   66   1H5M    T   6          1H5M        T   6  -2.031  -5.600  -5.885
   67   2H5M    T   6          2H5M        T   6  -1.654  -4.925  -4.282
   68   3H5M    T   6          3H5M        T   6  -0.919  -6.462  -4.793
   69    H6     T   6           H6         T   6  -1.288  -3.088  -6.307
   70   1H5*    C   7          1H5*        C   7  -3.555   2.940  -9.323
   71   2H5*    C   7          2H5*        C   7  -2.584   4.326  -9.860
   72    H4*    C   7           H4*        C   7  -3.842   4.662  -7.680
   73    H3*    C   7           H3*        C   7  -1.217   5.443  -8.398
   74    H1*    C   7           H1*        C   7  -2.241   4.116  -4.868
   75   1H4     C   7          1H4         C   7   0.564  -1.516  -3.447
   76   2H4     C   7          2H4         C   7   2.082  -0.782  -3.910
   77    H5     C   7           H5         C   7   2.234   1.390  -4.928
   78    H6     C   7           H6         C   7   0.977   3.310  -5.743
   79   1H2*    C   7          1H2*        C   7  -0.061   4.201  -6.929
   80   2H2*    C   7          2H2*        C   7  -0.593   5.463  -5.721
   81   1H5*    G   8          1H5*        G   8  -3.803   7.314  -5.130
   82   2H5*    G   8          2H5*        G   8  -3.531   8.996  -4.597
   83    H4*    G   8           H4*        G   8  -4.324   7.455  -2.801
   84    H3*    G   8           H3*        G   8  -2.041   9.156  -2.685
   85    H1*    G   8           H1*        G   8  -2.308   5.603  -1.040
   86    H8     G   8           H8         G   8  -1.149   3.260  -1.394
   87    H1     G   8           H1         G   8   3.448   5.834  -4.972
   88   1H2     G   8          1H2         G   8   2.956   7.949  -5.412
   89   2H2     G   8          2H2         G   8   1.497   8.705  -4.821
   90   1H2*    G   8          1H2*        G   8  -0.459   7.616  -2.268
   91   2H2*    G   8          2H2*        G   8  -1.199   7.558  -0.598
   92   1H5*  GAO   9          1H5*       +G   9  -5.487   9.669  -0.587
   93   2H5*  GAO   9          2H5*       +G   9  -6.127  10.552   0.828
   94    H4*  GAO   9           H4*       +G   9  -6.800   8.143   0.720
   95    H3*  GAO   9           H3*       +G   9  -5.261   9.335   2.933
   96    H2*  GAO   9           H2*       +G   9  -5.651   6.614   3.677
   97   2HO*  GAO   9          2HO*       +C   9  -3.999   8.269   4.264
   98    H1*  GAO   9           H1*       +G   9  -5.598   5.705   1.595
   99    H8   GAO   9           H8        +G   9  -2.111   7.359   1.692
  100    H1   GAO   9           H1        +G   9  -2.053   0.995   1.907
  101   1H2   GAO   9          1H2        +G   9  -4.132   0.236   1.960
  102   2H2   GAO   9          2H2        +G   9  -5.517   1.311   1.931
  103   1H5*  UAR  10          1H5*       +U  10  -8.381   5.995   3.356
  104   2H5*  UAR  10          2H5*       +U  10  -9.337   6.148   4.845
  105    H4*  UAR  10           H4*       +U  10  -8.805   3.783   4.378
  106    H3*  UAR  10           H3*       +U  10  -7.873   5.188   6.804
  107    H2*  UAR  10           H2*       +U  10  -7.015   2.474   7.066
  108   2HO*  UAR  10          2HO*       +C  10  -6.252   4.603   7.985
  109    H1*  UAR  10           H1*       +U  10  -6.623   2.077   4.858
  110    H3   UAR  10           H3        +U  10  -2.254   0.965   5.173
  111    H5   UAR  10           H5        +U  10  -2.176   5.138   4.662
  112    H6   UAR  10           H6        +U  10  -4.592   5.138   4.834
  113   1H5*  CAR  11          1H5*       +C  11  -9.017   0.695   7.244
  114   2H5*  CAR  11          2H5*       +C  11  -9.705   0.437   8.861
  115    H4*  CAR  11           H4*       +C  11  -7.976  -1.258   8.351
  116    H3*  CAR  11           H3*       +C  11  -7.709   0.690  10.570
  117    H2*  CAR  11           H2*       +C  11  -5.493  -1.143  10.710
  118   2HO*  CAR  11          2HO*       +C  11  -5.817   1.020  11.655
  119    H1*  CAR  11           H1*       +C  11  -5.144  -1.354   8.478
  120   1HN4  CAR  11          1H4        +C  11  -0.008   2.318   7.699
  121   2HN4  CAR  11          2H4        +C  11  -0.996   3.770   7.657
  122    H5   CAR  11           H5        +C  11  -3.387   3.750   7.991
  123    H6   CAR  11           H6        +C  11  -5.334   2.334   8.427
  124   1H5*  CAR  12          1H5*       +C  12  -6.087  -3.544  11.131
  125   2H5*  CAR  12          2H5*       +C  12  -6.350  -4.084  12.803
  126    H4*  CAR  12           H4*       +C  12  -4.057  -4.593  12.132
  127    H3*  CAR  12           H3*       +C  12  -4.615  -2.569  14.236
  128    H3T  CAR  12           H3T       +C  12  -4.573  -4.846  14.620
  129    H2*  CAR  12           H2*       +C  12  -1.775  -3.025  14.124
  130   2HO*  CAR  12          2HO*       +C  12  -2.872  -1.227  15.078
  131    H1*  CAR  12           H1*       +C  12  -1.629  -3.276  11.863
  132   1HN4  CAR  12          1H4        +C  12   1.009   2.340  10.422
  133   2HN4  CAR  12          2H4        +C  12  -0.564   3.114  10.385
  134    H5   CAR  12           H5        +C  12  -2.616   1.965  10.914
  135    H6   CAR  12           H6        +C  12  -3.599  -0.169  11.605
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1  11.542   0.422  11.525
    2   2H5*    G   1          2H5*        G   1  11.685  -0.189   9.854
    3    H4*    G   1           H4*        G   1  10.662  -1.803  11.473
    4    H3*    G   1           H3*        G   1   9.080  -0.688   9.181
    5    H2*    G   1           H2*        G   1   7.144  -1.672   9.817
    6   2HO*    G   1          2HO*        G   1   7.298  -3.740  10.152
    7    H1*    G   1           H1*        G   1   7.522  -1.795  12.573
    8    H8     G   1           H8         G   1   7.903   1.685  11.218
    9    H1     G   1           H1         G   1   1.823  -0.182  11.634
   10   1H2     G   1          1H2         G   1   1.746  -2.357  12.062
   11   2H2     G   1          2H2         G   1   3.200  -3.316  12.247
   12    H5T    G   1           H5T        G   1   9.722   1.008   9.425
   13   1H5*    G   2          1H5*        G   2   8.271  -5.173   9.361
   14   2H5*    G   2          2H5*        G   2   8.307  -5.711   7.659
   15    H4*    G   2           H4*        G   2   6.299  -6.435   9.021
   16    H3*    G   2           H3*        G   2   6.000  -4.695   6.584
   17    H2*    G   2           H2*        G   2   3.774  -4.443   6.867
   18   2HO*    G   2          2HO*        G   2   3.160  -6.583   6.847
   19    H1*    G   2           H1*        G   2   3.604  -4.852   9.651
   20    H8     G   2           H8         G   2   5.710  -1.954   8.436
   21    H1     G   2           H1         G   2  -0.495  -0.656   8.645
   22   1H2     G   2          1H2         G   2  -1.647  -2.512   8.998
   23   2H2     G   2          2H2         G   2  -0.858  -4.066   9.191
   24   1H5*    A   3          1H5*        A   3   3.097  -8.545   6.723
   25   2H5*    A   3          2H5*        A   3   3.047  -9.003   5.009
   26    H4*    A   3           H4*        A   3   0.788  -9.008   6.023
   27    H3*    A   3           H3*        A   3   1.485  -7.038   3.865
   28    H2*    A   3           H2*        A   3  -0.615  -6.059   3.932
   29   2HO*    A   3          2HO*        A   3  -2.404  -7.094   4.509
   30    H1*    A   3           H1*        A   3  -1.068  -6.110   6.596
   31    H8     A   3           H8         A   3   2.454  -5.169   5.534
   32   1H6     A   3          1H6         A   3   0.399   0.646   5.240
   33   2H6     A   3          2H6         A   3   1.824  -0.376   5.193
   34    H2     A   3           H2         A   3  -3.116  -2.106   5.882
   35   1H5*    C   4          1H5*        C   4  -2.328  -8.589   3.039
   36   2H5*    C   4          2H5*        C   4  -2.625  -8.834   1.305
   37    H4*    C   4           H4*        C   4  -4.297  -7.312   2.344
   38    H3*    C   4           H3*        C   4  -2.424  -6.399   0.191
   39    H2*    C   4           H2*        C   4  -3.035  -4.209   0.312
   40   2HO*    C   4          2HO*        C   4  -5.151  -4.078   0.093
   41    H1*    C   4           H1*        C   4  -3.787  -4.055   3.000
   42   1H4     C   4          1H4         C   4   1.559  -0.702   2.601
   43   2H4     C   4          2H4         C   4   2.511  -2.142   2.299
   44    H5     C   4           H5         C   4   1.523  -4.337   2.025
   45    H6     C   4           H6         C   4  -0.580  -5.597   1.988
   46   1H5*    T   5          1H5*        T   5  -6.363  -4.693  -1.005
   47   2H5*    T   5          2H5*        T   5  -6.409  -4.786  -2.778
   48    H4*    T   5           H4*        T   5  -6.663  -2.458  -1.953
   49    H3*    T   5           H3*        T   5  -4.331  -3.306  -3.636
   50   1H2*    T   5          1H2*        T   5  -3.235  -1.321  -3.451
   51   2H2*    T   5          2H2*        T   5  -4.776  -0.404  -3.123
   52    H1*    T   5           H1*        T   5  -4.173  -0.454  -0.962
   53    H3     T   5           H3         T   5   0.165  -0.508   0.102
   54   1H5M    T   5          1H5M        T   5   0.766  -4.855  -1.334
   55   2H5M    T   5          2H5M        T   5  -0.471  -4.967  -2.609
   56   3H5M    T   5          3H5M        T   5  -0.846  -5.508  -0.955
   57    H6     T   5           H6         T   5  -2.737  -3.759  -1.912
   58   1H5*    T   6          1H5*        T   6  -6.016   0.261  -5.101
   59   2H5*    T   6          2H5*        T   6  -5.941   0.594  -6.840
   60    H4*    T   6           H4*        T   6  -4.743   2.278  -5.362
   61    H3*    T   6           H3*        T   6  -3.967   1.169  -7.845
   62   1H2*    T   6          1H2*        T   6  -2.108   0.068  -7.199
   63   2H2*    T   6          2H2*        T   6  -1.366   1.738  -7.157
   64    H1*    T   6           H1*        T   6  -1.488   1.852  -4.876
   65    H3     T   6           H3         T   6   1.522  -1.095  -3.379
   66   1H5M    T   6          1H5M        T   6  -0.810  -4.743  -4.990
   67   2H5M    T   6          2H5M        T   6  -1.628  -4.012  -6.392
   68   3H5M    T   6          3H5M        T   6  -2.475  -4.133  -4.831
   69    H6     T   6           H6         T   6  -2.608  -1.591  -5.777
   70   1H5*    C   7          1H5*        C   7  -2.994   5.701 -10.370
   71   2H5*    C   7          2H5*        C   7  -2.125   6.867  -9.349
   72    H4*    C   7           H4*        C   7  -4.217   7.872 -10.062
   73    H3*    C   7           H3*        C   7  -3.483   7.486  -7.349
   74    H1*    C   7           H1*        C   7  -7.142   7.143  -8.720
   75   1H4     C   7          1H4         C   7  -8.883   0.909  -7.905
   76   2H4     C   7          2H4         C   7  -8.841   1.313  -6.205
   77    H5     C   7           H5         C   7  -8.004   3.401  -5.372
   78    H6     C   7           H6         C   7  -6.995   5.540  -5.972
   79   1H2*    C   7          1H2*        C   7  -5.171   6.173  -6.682
   80   2H2*    C   7          2H2*        C   7  -6.155   7.712  -6.732
   81   1H5*    G   8          1H5*        G   8  -3.096  10.467  -4.119
   82   2H5*    G   8          2H5*        G   8  -1.707  10.286  -5.228
   83    H4*    G   8           H4*        G   8  -2.928   8.128  -3.427
   84    H3*    G   8           H3*        G   8  -1.238  10.312  -2.697
   85    H1*    G   8           H1*        G   8  -0.116   6.608  -3.200
   86    H8     G   8           H8         G   8   0.351   6.151  -6.290
   87    H1     G   8           H1         G   8   5.888   8.881  -4.729
   88   1H2     G   8          1H2         G   8   5.681   9.971  -2.810
   89   2H2     G   8          2H2         G   8   4.176  10.017  -1.924
   90   1H2*    G   8          1H2*        G   8   0.736   9.473  -3.405
   91   2H2*    G   8          2H2*        G   8   0.587   8.384  -1.943
   92   1H5*  GAO   9          1H5*       +G   9  -3.868   8.588  -0.633
   93   2H5*  GAO   9          2H5*       +G   9  -4.530   9.607   0.675
   94    H4*  GAO   9           H4*       +G   9  -5.501   7.289   0.509
   95    H3*  GAO   9           H3*       +G   9  -4.190   8.414   2.893
   96    H2*  GAO   9           H2*       +G   9  -5.005   5.791   3.656
   97   2HO*  GAO   9          2HO*       +C   9  -2.506   7.126   3.392
   98    H1*  GAO   9           H1*       +G   9  -4.729   4.770   1.651
   99    H8   GAO   9           H8        +G   9  -1.138   6.074   2.186
  100    H1   GAO   9           H1        +G   9  -1.797  -0.245   2.449
  101   1H2   GAO   9          1H2        +G   9  -3.938  -0.773   2.292
  102   2H2   GAO   9          2H2        +G   9  -5.185   0.444   2.109
  103   1H5*  UAR  10          1H5*       +U  10  -7.620   5.368   3.044
  104   2H5*  UAR  10          2H5*       +U  10  -8.724   5.690   4.398
  105    H4*  UAR  10           H4*       +U  10  -8.277   3.281   4.233
  106    H3*  UAR  10           H3*       +U  10  -7.421   4.886   6.566
  107    H2*  UAR  10           H2*       +U  10  -6.786   2.148   7.141
  108   2HO*  UAR  10          2HO*       +C  10  -5.976   4.327   7.931
  109    H1*  UAR  10           H1*       +U  10  -6.196   1.533   5.030
  110    H3   UAR  10           H3        +U  10  -1.888   0.332   5.498
  111    H5   UAR  10           H5        +U  10  -1.677   4.525   5.261
  112    H6   UAR  10           H6        +U  10  -4.099   4.579   5.224
  113   1H5*  CAR  11          1H5*       +C  11  -8.866   0.743   7.086
  114   2H5*  CAR  11          2H5*       +C  11  -9.682   0.355   8.616
  115    H4*  CAR  11           H4*       +C  11  -7.919  -1.300   8.100
  116    H3*  CAR  11           H3*       +C  11  -7.864   0.427  10.501
  117    H2*  CAR  11           H2*       +C  11  -5.612  -1.329  10.706
  118   2HO*  CAR  11          2HO*       +C  11  -6.117   0.829  11.662
  119    H1*  CAR  11           H1*       +C  11  -5.147  -1.454   8.480
  120   1HN4  CAR  11          1H4        +C  11   0.188   1.994   8.326
  121   2HN4  CAR  11          2H4        +C  11  -0.723   3.497   8.289
  122    H5   CAR  11           H5        +C  11  -3.136   3.582   8.424
  123    H6   CAR  11           H6        +C  11  -5.179   2.245   8.624
  124   1H5*  CAR  12          1H5*       +C  12  -6.175  -3.840  10.986
  125   2H5*  CAR  12          2H5*       +C  12  -6.592  -4.432  12.608
  126    H4*  CAR  12           H4*       +C  12  -4.230  -4.842  12.199
  127    H3*  CAR  12           H3*       +C  12  -5.033  -2.784  14.206
  128    H3T  CAR  12           H3T       +C  12  -5.119  -5.031  14.667
  129    H2*  CAR  12           H2*       +C  12  -2.197  -3.356  14.382
  130   2HO*  CAR  12          2HO*       +C  12  -3.355  -1.556  15.299
  131    H1*  CAR  12           H1*       +C  12  -1.831  -3.508  12.146
  132   1HN4  CAR  12          1H4        +C  12   0.940   2.125  11.103
  133   2HN4  CAR  12          2H4        +C  12  -0.615   2.930  11.027
  134    H5   CAR  12           H5        +C  12  -2.716   1.791  11.374
  135    H6   CAR  12           H6        +C  12  -3.769  -0.360  11.892
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1  11.672   1.077   9.574
    2   2H5*    G   1          2H5*        G   1  11.663   0.441   7.906
    3    H4*    G   1           H4*        G   1  11.120  -1.247   9.673
    4    H3*    G   1           H3*        G   1   9.094  -0.449   7.610
    5    H2*    G   1           H2*        G   1   7.429  -1.715   8.520
    6   2HO*    G   1          2HO*        G   1   7.769  -3.621   9.386
    7    H1*    G   1           H1*        G   1   8.070  -1.536  11.188
    8    H8     G   1           H8         G   1   8.081   1.877   9.659
    9    H1     G   1           H1         G   1   2.191  -0.324  10.678
   10   1H2     G   1          1H2         G   1   2.273  -2.482  11.165
   11   2H2     G   1          2H2         G   1   3.788  -3.359  11.240
   12    H5T    G   1           H5T        G   1   9.601   1.386   7.656
   13   1H5*    G   2          1H5*        G   2   8.804  -4.736   7.964
   14   2H5*    G   2          2H5*        G   2   8.588  -5.476   6.354
   15    H4*    G   2           H4*        G   2   6.854  -6.055   8.113
   16    H3*    G   2           H3*        G   2   6.089  -4.651   5.560
   17    H2*    G   2           H2*        G   2   3.923  -4.456   6.179
   18   2HO*    G   2          2HO*        G   2   3.125  -6.366   6.662
   19    H1*    G   2           H1*        G   2   4.247  -4.480   8.979
   20    H8     G   2           H8         G   2   5.965  -1.651   7.150
   21    H1     G   2           H1         G   2  -0.254  -0.716   7.987
   22   1H2     G   2          1H2         G   2  -1.210  -2.582   8.700
   23   2H2     G   2          2H2         G   2  -0.285  -4.045   8.976
   24   1H5*    A   3          1H5*        A   3   3.333  -8.219   6.642
   25   2H5*    A   3          2H5*        A   3   3.116  -9.075   5.101
   26    H4*    A   3           H4*        A   3   0.964  -8.847   6.233
   27    H3*    A   3           H3*        A   3   1.464  -7.261   3.735
   28    H2*    A   3           H2*        A   3  -0.636  -6.282   3.793
   29   2HO*    A   3          2HO*        A   3  -1.344  -8.639   4.762
   30    H1*    A   3           H1*        A   3  -0.902  -5.995   6.513
   31    H8     A   3           H8         A   3   2.439  -5.019   4.968
   32   1H6     A   3          1H6         A   3   0.019   0.617   4.298
   33   2H6     A   3          2H6         A   3   1.480  -0.346   4.161
   34    H2     A   3           H2         A   3  -3.220  -2.183   5.704
   35   1H5*    C   4          1H5*        C   4  -2.179  -8.589   3.199
   36   2H5*    C   4          2H5*        C   4  -2.591  -8.989   1.521
   37    H4*    C   4           H4*        C   4  -3.951  -7.118   2.373
   38    H3*    C   4           H3*        C   4  -1.943  -6.522   0.203
   39    H2*    C   4           H2*        C   4  -2.655  -4.362   0.098
   40   2HO*    C   4          2HO*        C   4  -4.809  -4.500  -0.200
   41    H1*    C   4           H1*        C   4  -3.478  -4.110   2.788
   42   1H4     C   4          1H4         C   4   1.286  -0.088   1.609
   43   2H4     C   4          2H4         C   4   2.438  -1.404   1.513
   44    H5     C   4           H5         C   4   1.793  -3.728   1.654
   45    H6     C   4           H6         C   4  -0.083  -5.274   1.986
   46   1H5*    T   5          1H5*        T   5  -6.294  -5.487  -0.909
   47   2H5*    T   5          2H5*        T   5  -6.430  -5.664  -2.671
   48    H4*    T   5           H4*        T   5  -7.352  -3.501  -1.836
   49    H3*    T   5           H3*        T   5  -5.042  -3.622  -3.748
   50   1H2*    T   5          1H2*        T   5  -4.670  -1.375  -3.708
   51   2H2*    T   5          2H2*        T   5  -6.371  -1.024  -3.180
   52    H1*    T   5           H1*        T   5  -5.512  -0.764  -1.132
   53    H3     T   5           H3         T   5  -1.239   0.636  -1.094
   54   1H5M    T   5          1H5M        T   5  -0.922  -4.390  -2.669
   55   2H5M    T   5          2H5M        T   5  -0.863  -4.546  -0.898
   56   3H5M    T   5          3H5M        T   5   0.403  -3.634  -1.752
   57    H6     T   5           H6         T   5  -3.321  -3.621  -1.874
   58   1H5*    T   6          1H5*        T   6  -7.537  -0.705  -5.266
   59   2H5*    T   6          2H5*        T   6  -7.397  -0.367  -7.000
   60    H4*    T   6           H4*        T   6  -6.462   1.402  -5.356
   61    H3*    T   6           H3*        T   6  -5.588   0.566  -7.925
   62   1H2*    T   6          1H2*        T   6  -3.580  -0.290  -7.387
   63   2H2*    T   6          2H2*        T   6  -3.090   1.456  -7.196
   64    H1*    T   6           H1*        T   6  -3.173   1.354  -4.927
   65    H3     T   6           H3         T   6   0.423  -1.171  -4.183
   66   1H5M    T   6          1H5M        T   6  -1.737  -5.096  -5.332
   67   2H5M    T   6          2H5M        T   6  -2.852  -4.486  -6.579
   68   3H5M    T   6          3H5M        T   6  -3.410  -4.670  -4.899
   69    H6     T   6           H6         T   6  -3.997  -2.177  -5.766
   70   1H5*    C   7          1H5*        C   7  -3.623   4.464  -6.263
   71   2H5*    C   7          2H5*        C   7  -3.117   5.611  -7.515
   72    H4*    C   7           H4*        C   7  -1.395   5.156  -5.708
   73    H3*    C   7           H3*        C   7  -1.049   5.409  -8.519
   74    H1*    C   7           H1*        C   7   0.910   2.901  -6.246
   75   1H4     C   7          1H4         C   7   0.453  -3.136  -8.120
   76   2H4     C   7          2H4         C   7  -0.752  -2.740  -9.323
   77    H5     C   7           H5         C   7  -1.590  -0.512  -9.662
   78    H6     C   7           H6         C   7  -1.455   1.814  -8.923
   79   1H2*    C   7          1H2*        C   7  -0.220   3.370  -8.978
   80   2H2*    C   7          2H2*        C   7   1.301   4.014  -8.199
   81   1H5*    G   8          1H5*        G   8  -0.918   9.150  -4.777
   82   2H5*    G   8          2H5*        G   8  -0.167   7.562  -4.448
   83    H4*    G   8           H4*        G   8  -3.148   8.280  -4.409
   84    H3*    G   8           H3*        G   8  -1.157   8.793  -2.467
   85    H1*    G   8           H1*        G   8  -3.612   5.735  -2.312
   86    H8     G   8           H8         G   8  -3.153   3.402  -1.262
   87    H1     G   8           H1         G   8   2.459   2.800  -4.205
   88   1H2     G   8          1H2         G   8   2.938   4.668  -5.296
   89   2H2     G   8          2H2         G   8   1.868   6.048  -5.298
   90   1H2*    G   8          1H2*        G   8  -0.844   6.693  -1.694
   91   2H2*    G   8          2H2*        G   8  -2.418   6.993  -0.817
   92   1H5*  GAO   9          1H5*       +G   9  -5.552   8.403  -1.080
   93   2H5*  GAO   9          2H5*       +G   9  -6.063   9.380   0.325
   94    H4*  GAO   9           H4*       +G   9  -6.909   6.993   0.270
   95    H3*  GAO   9           H3*       +G   9  -5.354   8.213   2.459
   96    H2*  GAO   9           H2*       +G   9  -5.913   5.539   3.291
   97   2HO*  GAO   9          2HO*       +C   9  -3.506   5.612   3.368
   98    H1*  GAO   9           H1*       +G   9  -5.766   4.519   1.277
   99    H8   GAO   9           H8        +G   9  -2.309   6.217   1.379
  100    H1   GAO   9           H1        +G   9  -2.174  -0.130   1.742
  101   1H2   GAO   9          1H2        +G   9  -4.238  -0.920   1.807
  102   2H2   GAO   9          2H2        +G   9  -5.640   0.130   1.747
  103   1H5*  UAR  10          1H5*       +U  10  -8.562   4.943   3.124
  104   2H5*  UAR  10          2H5*       +U  10  -9.449   5.228   4.637
  105    H4*  UAR  10           H4*       +U  10  -8.905   2.835   4.379
  106    H3*  UAR  10           H3*       +U  10  -7.852   4.481   6.599
  107    H2*  UAR  10           H2*       +U  10  -6.973   1.797   7.067
  108   2HO*  UAR  10          2HO*       +C  10  -6.177   3.973   7.786
  109    H1*  UAR  10           H1*       +U  10  -6.664   1.205   4.893
  110    H3   UAR  10           H3        +U  10  -2.274   0.191   4.983
  111    H5   UAR  10           H5        +U  10  -2.292   4.345   4.341
  112    H6   UAR  10           H6        +U  10  -4.701   4.311   4.617
  113   1H5*  CAR  11          1H5*       +C  11  -8.861   0.091   7.393
  114   2H5*  CAR  11          2H5*       +C  11  -9.474  -0.132   9.046
  115    H4*  CAR  11           H4*       +C  11  -7.728  -1.797   8.529
  116    H3*  CAR  11           H3*       +C  11  -7.387   0.256  10.643
  117    H2*  CAR  11           H2*       +C  11  -5.140  -1.542  10.750
  118   2HO*  CAR  11          2HO*       +C  11  -5.474   0.674  11.601
  119    H1*  CAR  11           H1*       +C  11  -4.906  -1.846   8.514
  120   1HN4  CAR  11          1H4        +C  11   0.157   1.826   7.330
  121   2HN4  CAR  11          2H4        +C  11  -0.856   3.259   7.221
  122    H5   CAR  11           H5        +C  11  -3.233   3.232   7.648
  123    H6   CAR  11           H6        +C  11  -5.143   1.826   8.251
  124   1H5*  CAR  12          1H5*       +C  12  -5.738  -3.877  11.349
  125   2H5*  CAR  12          2H5*       +C  12  -5.837  -4.368  13.053
  126    H4*  CAR  12           H4*       +C  12  -3.591  -4.810  12.177
  127    H3*  CAR  12           H3*       +C  12  -4.025  -2.747  14.286
  128    H3T  CAR  12           H3T       +C  12  -2.841  -4.300  15.457
  129    H2*  CAR  12           H2*       +C  12  -1.197  -3.242  13.925
  130   2HO*  CAR  12          2HO*       +C  12  -1.244  -0.944  13.885
  131    H1*  CAR  12           H1*       +C  12  -1.253  -3.438  11.662
  132   1HN4  CAR  12          1H4        +C  12   1.163   2.245  10.113
  133   2HN4  CAR  12          2H4        +C  12  -0.427   2.981  10.159
  134    H5   CAR  12           H5        +C  12  -2.424   1.774  10.786
  135    H6   CAR  12           H6        +C  12  -3.310  -0.385  11.533