*HEADER    RNA                                     17-FEB-01   1I3Y              
*TITLE     SOLUTION STRUCTURE OF THE A LOOP OF 23S RIBOSOMAL RNA.                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-R(*GP*GP*CP*UP*GP*GP*CP*(CH3)                           
*COMPND   3 UP*GP*UP*UP*CP*GP*CP*CP*AP*GP*CP*C)-3';                              
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 OTHER_DETAILS: U2552-2'-O-METHYL A LOOP RNA                          
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    A LOOP, A SITE, 23S RRNA                                              
*EXPDTA    NMR, 21 STRUCTURES                                                    
*AUTHOR    J.D.PUGLISI, S.C.BLANCHARD                                            
*REVDAT   1   04-APR-01 1I3Y    0                                                
{ASL_modified dihedral restraints}

REStraints
DIHEdral
reset

assign (residue 1 and name C5') (residue 1 and name C4') (residue 1 and name C3') (residue 1 and name O3') 2   85 15 2 


assign (residue 2 and name P)   (residue 2 and name O5') (residue 2 and name C5') (residue 2 and name C4')  2  180 30 2 
assign (residue 2 and name O5') (residue 2 and name C5') (residue 2 and name C4') (residue 2 and name C3')  2   60 30 2 
assign (residue 2 and name C5') (residue 2 and name C4') (residue 2 and name C3') (residue 2 and name O3') 2   85 15 2 
 

assign (residue 3 and name P)   (residue 3 and name O5') (residue 3 and name C5') (residue 3 and name C4')  2  180 30 2 
assign (residue 3 and name O5') (residue 3 and name C5') (residue 3 and name C4') (residue 3 and name C3')  2   60 30 2 
assign (residue 3 and name C5') (residue 3 and name C4') (residue 3 and name C3') (residue 3 and name O3')  2   85 15 2 
 


assign (residue 4 and name P)   (residue 4 and name O5') (residue 4 and name C5') (residue 4 and name C4')  2  180 30 2 
assign (residue 4 and name O5') (residue 4 and name C5') (residue 4 and name C4') (residue 4 and name C3')  2   60 30 2 
assign (residue 4 and name C5') (residue 4 and name C4') (residue 4 and name C3') (residue 4 and name O3')  2   85 15 2 
 


assign (residue 5 and name P)   (residue 5 and name O5') (residue 5 and name C5') (residue 5 and name C4') 2  180 30 2 
assign (residue 5 and name O5') (residue 5 and name C5') (residue 5 and name C4') (residue 5 and name C3')  2   60 30 2 
assign (residue 5 and name C5') (residue 5 and name C4') (residue 5 and name C3') (residue 5 and name O3') 2   85 15 2 
 

assign (residue 6 and name P)   (residue 6 and name O5') (residue 6 and name C5') (residue 6 and name C4') 2  180 30 2 
assign (residue 6 and name O5') (residue 6 and name C5') (residue 6 and name C4') (residue 6 and name C3')  2   60 30 2 
assign (residue 6 and name C5') (residue 6 and name C4') (residue 6 and name C3') (residue 6 and name O3') 2   85 15 2 
 

assign (residue 7 and name P)   (residue 7 and name O5') (residue 7 and name C5') (residue 7 and name C4')  2  180 30 2 
assign (residue 7 and name O5') (residue 7 and name C5') (residue 7 and name C4') (residue 7 and name C3')  2   60 30 2 
assign (residue 7 and name C5') (residue 7 and name C4') (residue 7 and name C3') (residue 7 and name O3')  2   85 15 2 
 


assign (residue 8 and name P)   (residue 8 and name O5') (residue 8 and name C5') (residue 8 and name C4') 2  180 30 2 
assign (residue 8 and name O5') (residue 8 and name C5') (residue 8 and name C4') (residue 8 and name C3')  2   60 30 2 
assign (residue 8 and name C5') (residue 8 and name C4') (residue 8 and name C3') (residue 8 and name O3')  2   85 15 2 
 


assign (residue 9 and name P)   (residue 9 and name O5') (residue 9 and name C5') (residue 9 and name C4') 2  180 40 2 
assign (residue 9 and name O5') (residue 9 and name C5') (residue 9 and name C4') (residue 9 and name C3')  2   60 30 2 
 

assign (residue 10 and name P)   (residue 10 and name O5') (residue 10 and name C5') (residue 10 and name C4')  2  180 40 2 
assign (residue 10 and name O5') (residue 10 and name C5') (residue 10 and name C4') (residue 10 and name C3')  2   60 30 2 
assign (residue 10 and name C5') (residue 10 and name C4') (residue 10 and name C3') (residue 10 and name O3') 2  130 60 2 
assign (residue 10 and name O4') (residue 10 and name C1') (residue 10 and name N1)  (residue 10 and name C2)   2 -130 20 2 


assign (residue 11 and name P)   (residue 11 and name O5') (residue 11 and name C5') (residue 11 and name C4')  2  180 40 2 
assign (residue 11 and name O5') (residue 11 and name C5') (residue 11 and name C4') (residue 11 and name C3')  2   60 30 2 
assign (residue 11 and name C5') (residue 11 and name C4') (residue 11 and name C3') (residue 11 and name O3')  2  130 60 2 
assign (residue 11 and name O4') (residue 11 and name C1') (residue 11 and name N1)  (residue 11 and name C2)   2 -130 20 2

assign (residue 12 and name O5') (residue 12 and name C5') (residue 12 and name C4') (residue 12 and name C3') 2   60 30 2 
assign (residue 12 and name O4') (residue 12 and name C1') (residue 12 and name N1)  (residue 12 and name C2)  2 -150 30 2

assign (residue 13 and name O5') (residue 13 and name C5') (residue 13 and name C4') (residue 13 and name C3') 2   60 30 2 
assign (residue 13 and name C5') (residue 13 and name C4') (residue 13 and name C3') (residue 13 and name O3') 2   85 20 2 
 

assign (residue 13 and name P)   (residue 13 and name O5') (residue 13 and name C5') (residue 13 and name C4') 2  180 30 2 
assign (residue 13 and name O5') (residue 13 and name C5') (residue 13 and name C4') (residue 13 and name C3') 2   60 30 2 
assign (residue 13 and name C5') (residue 13 and name C4') (residue 13 and name C3') (residue 13 and name O3') 2   85 15 2 
 


assign (residue 15 and name P)   (residue 15 and name O5') (residue 15 and name C5') (residue 15 and name C4') 2  180 30 2 
assign (residue 15 and name O5') (residue 15 and name C5') (residue 15 and name C4') (residue 15 and name C3') 2   60 30 2 
assign (residue 15 and name C5') (residue 15 and name C4') (residue 15 and name C3') (residue 15 and name O3') 2   85 15 2 
 


assign (residue 16 and name P)   (residue 16 and name O5') (residue 16 and name C5') (residue 16 and name C4') 2  180 30 2 
assign (residue 16 and name O5') (residue 16 and name C5') (residue 16 and name C4') (residue 16 and name C3') 2   60 30 2 
assign (residue 16 and name C5') (residue 16 and name C4') (residue 16 and name C3') (residue 16 and name O3') 2   85 15 2 
 

assign (residue 17 and name P)   (residue 17 and name O5') (residue 17 and name C5') (residue 17 and name C4') 2  180 30 2 
assign (residue 17 and name O5') (residue 17 and name C5') (residue 17 and name C4') (residue 17 and name C3') 2   60 30 2 
assign (residue 17 and name C5') (residue 17 and name C4') (residue 17 and name C3') (residue 17 and name O3') 2   85 15 2 
 

assign (residue 18 and name P)   (residue 18 and name O5') (residue 18 and name C5') (residue 18 and name C4') 2  180 30 2 
assign (residue 18 and name O5') (residue 18 and name C5') (residue 18 and name C4') (residue 18 and name C3') 2   60 30 2 
assign (residue 18 and name C5') (residue 18 and name C4') (residue 18 and name C3') (residue 18 and name O3') 2   85 15 2 
 


assign (residue 19 and name P)   (residue 19 and name O5') (residue 19 and name C5') (residue 19 and name C4') 2  180 30 2 
assign (residue 19 and name O5') (residue 19 and name C5') (residue 19 and name C4') (residue 19 and name C3') 2   60 30 2 
assign (residue 19 and name C5') (residue 19 and name C4') (residue 19 and name C3') (residue 19 and name O3') 2   85 15 2 


end

{ASL_modified NOEs generated from both H2O and D2O expts. @ 100-150ms}

assign (residue 1 and name N1)   (residue 19 and name N3)    0.0  0   3.2   
assign (residue 1 and name H1)   (residue 19 and name N4)    0.0  0   4.0   
assign (residue 1 and name H1)   (residue 19 and name H1')   0.0  0   6.0   
assign (residue 1 and name H1)   (residue 2 and name H1')    0.0  0   6.0   
assign (residue 1 and name N2)   (residue 2 and name H1')    0.0  0   5.0   
assign (residue 1 and name H1)   (residue 2 and name H1)     0.0  0   4.0   
assign (residue 1 and name H8)   (residue 1 and name H1')    0.0  0   4.0   
assign (residue 1 and name H8)   (residue 1 and name H3')    0.0  0   4.0   
assign (residue 1 and name H8)   (residue 1 and name H4')    0.0  0   5.0   
assign (residue 1 and name H8)   (residue 1 and name C5')    0.0  0   5.0   
assign (residue 2 and name N1)   (residue 18 and name N3)    0.0  0   3.2   
assign (residue 2 and name H1)   (residue 18 and name N4)    0.0  0   4.0   
assign (residue 2 and name H1)   (residue 3 and name H1')    0.0  0   6.0   
assign (residue 2 and name N2)   (residue 3 and name H1')    0.0  0   5.0   
assign (residue 2 and name H8)   (residue 1 and name H8)     0.0  0   5.0   
assign (residue 2 and name H8)   (residue 1 and name H1')    0.0  0   5.0   
assign (residue 2 and name H8)   (residue 1 and name H2'')   0.0  0   3.0   
assign (residue 2 and name H8)   (residue 1 and name H3')    0.0  0   4.0   
assign (residue 2 and name H1')  (residue 1 and name H1')    0.0  0   6.0   
assign (residue 2 and name H8)   (residue 2 and name H1')    0.0  0   4.0   
assign (residue 2 and name H8)   (residue 2 and name H2'')   0.0  0   5.0   
assign (residue 2 and name H8)   (residue 2 and name H3')    0.0  0   4.0   
assign (residue 2 and name H8)   (residue 2 and name C5')    0.0  0   5.0   
assign (residue 3 and name H6)   (residue 2 and name H8)     0.0  0   5.0   
assign (residue 3 and name H6)   (residue 2 and name H1')    0.0  0   5.0   
assign (residue 3 and name H6)   (residue 2 and name H2'')   0.0  0   3.0   
assign (residue 3 and name H6)   (residue 2 and name H3')    0.0  0   4.0   
assign (residue 3 and name H5)   (residue 2 and name H8)     0.0  0   6.0   
assign (residue 3 and name H6)   (residue 3 and name H1')    0.0  0   4.0   
assign (residue 3 and name H6)   (residue 3 and name H3')    0.0  0   4.0   
assign (residue 3 and name H5)   (residue 3 and name H1')    0.0  0   6.0   
assign (residue 4 and name N3)   (residue 16 and name N1)    0.0  0   3.2  
assign (residue 4 and name H3)   (residue 16 and name H2)    0.0  0   3.5   
assign (residue 4 and name H3)   (residue 3 and name N4)     0.0  0   5.0   
assign (residue 4 and name H3)   (residue 5 and name H1')    0.0  0   6.0   
assign (residue 4 and name H6)   (residue 3 and name H6)     0.0  0   5.0   
assign (residue 4 and name H6)   (residue 3 and name H1')    0.0  0   5.0   
assign (residue 4 and name H6)   (residue 3 and name H2'')   0.0  0   3.0   
assign (residue 4 and name H6)   (residue 3 and name H3')    0.0  0   4.0   
assign (residue 4 and name H5)   (residue 3 and name H5)     0.0  0   5.0   
assign (residue 4 and name H1')  (residue 3 and name H1')    0.0  0   6.0   
assign (residue 4 and name H6)   (residue 4 and name H1')    0.0  0   4.0   
assign (residue 4 and name H5)   (residue 4 and name H1')    0.0  0   6.0   
assign (residue 4 and name H6)   (residue 4 and name H2'')   0.0  0   5.0   
assign (residue 4 and name H6)   (residue 4 and name H3')    0.0  0   4.0   
assign (residue 4 and name H6)   (residue 4 and name C5')    0.0  0   5.0   
assign (residue 5 and name N1)   (residue 15 and name N3 )   0.0  0   3.2   
assign (residue 5 and name H1)   (residue 15 and name N4 )   0.0  0   4.0   
assign (residue 5 and name H8)   (residue 4 and name H6)     0.0  0   5.0   
assign (residue 5 and name H8)   (residue 4 and name H5)     0.0  0   5.0   
assign (residue 5 and name H8)   (residue 4 and name H1')    0.0  0   5.0   
assign (residue 5 and name H8)   (residue 4 and name H2'')   0.0  0   3.0   
assign (residue 5 and name H8)   (residue 4 and name H3')    0.0  0   4.0   
assign (residue 5 and name H1')  (residue 4 and name H1')    0.0  0   6.0   
assign (residue 5 and name H8)   (residue 5 and name H1')    0.0  0   4.0   
assign (residue 5 and name H8)   (residue 5 and name H2'')   0.0  0   5.0   
assign (residue 5 and name H8)   (residue 5 and name H3')    0.0  0   4.0   
assign (residue 5 and name H8)   (residue 5 and name H4')    0.0  0   5.0   
assign (residue 5 and name H8)   (residue 5 and name C5')    0.0  0   5.0   
assign (residue 6 and name N1)   (residue 14 and name N3 )   0.0  0   3.2   
assign (residue 6 and name H1)   (residue 14 and name N4 )   0.0  0   4.0   
assign (residue 6 and name H1)   (residue 5 and name H1)     0.0  0   4.0   
assign (residue 6 and name H8)   (residue 5 and name H8)     0.0  0   5.0   
assign (residue 6 and name H8)   (residue 5 and name H1')    0.0  0   5.0   
assign (residue 6 and name H8)   (residue 5 and name H2'')   0.0  0   3.0   
assign (residue 6 and name H8)   (residue 5 and name H3')    0.0  0   4.0   
assign (residue 6 and name H1')  (residue 5 and name H2'')   0.0  0   5.0   
assign (residue 6 and name H8)   (residue 6 and name H1')    0.0  0   4.0   
assign (residue 6 and name H8)   (residue 6 and name C5')    0.0  0   5.0   
assign (residue 7 and name H6)   (residue 6 and name H1')    0.0  0   5.0   
assign (residue 7 and name H6)   (residue 6 and name H2'')   0.0  0   3.0   
assign (residue 7 and name H6)   (residue 6 and name H3')    0.0  0   4.0   
assign (residue 7 and name H5)   (residue 6 and name H1')    0.0  0   6.0   
assign (residue 7 and name H1')  (residue 6 and name H1')    0.0  0   6.0   
assign (residue 7 and name H6)   (residue 7 and name H1')    0.0  0   4.0   
assign (residue 7 and name H6)   (residue 7 and name H2'')   0.0  0   5.0   
assign (residue 7 and name H6)   (residue 7 and name H3')    0.0  0   4.0   
assign (residue 7 and name H6)   (residue 7 and name H4')    0.0  0   5.0   
assign (residue 7 and name H6)   (residue 7 and name C5')    0.0  0   5.0   
assign (residue 7 and name H5)   (residue 7 and name H1')    0.0  0   6.0   
assign (residue 7 and name H5)   (residue 7 and name H2'')   0.0  0   6.0   
assign (residue 7 and name H5)   (residue 7 and name H3')    0.0  0   5.0
assign (residue 8 and name H3)   (residue 7 and name N4)     0.0  0   6.0   
assign (residue 8 and name H6)   (residue 7 and name H6)     0.0  0   6.0      
assign (residue 8 and name H6)   (residue 7 and name H2'')   0.0  0   4.0   
assign (residue 8 and name H6)   (residue 7 and name H3')    0.0  0   5.0   
assign (residue 8 and name H5)   (residue 7 and name H6)     0.0  0   5.0   
assign (residue 8 and name H5)   (residue 7 and name H5)     0.0  0   5.0   
assign (residue 8 and name H5)   (residue 7 and name H2'')   0.0  0   5.0   
assign (residue 8 and name H6)   (residue 8 and name H3')    0.0  0   4.0   
assign (residue 8 and name H6)   (residue 8 and name H2'')   0.0  0   5.0   
assign (residue 8 and name H6)   (residue 8 and name C5')    0.0  0   5.0
assign (residue 8 and name H6)  (residue 8 and name H1')    0.0  0   4.0
assign (residue 9 and name H1')  (residue 8 and name H2'')   0.0  0   7.0   
assign (residue 9 and name H2'') (residue 8 and name H2'')   0.0  0   7.0      
assign (residue 9 and name H8)   (residue 9 and name H1')    0.0  0   4.0   
assign (residue 9 and name H8)   (residue 9 and name H2'')   0.0  0   5.0
assign (residue 9 and name H8)   (residue 8 and name H2'')   0.0  0   7.0
{assign (residue 9 and name H8)   (residue 8 and name H3')    0.0  0   6.0}
{assign (residue 9 and name H8)   (residue 8 and name H6)     0.0  0   7.0}
{assign (residue 9 and name H8)   (residue 8 and name C1)     0.0  0   8.0}
{assign (residue 9 and name H1')  (residue 8 and name C1)     0.0  0   8.0}
assign (residue 9 and name H8)   (residue 9 and name H3')    0.0  0   5.0
{assign (residue 10 and name H6)  (residue 8 and name C1)     0.0  0   8.0}
assign (residue 10 and name H6)  (residue 10 and name H1')   0.0  0   4.0
assign (residue 10 and name H6)  (residue 10 and name H2'')  0.0  0   4.0
{assign (residue 11 and name H5)  (residue 8 and name C1)     0.0  0   8.0}
{assign (residue 11 and name H1') (residue 8 and name C1)     0.0  0   8.0}
assign (residue 11 and name H5)  (residue 9 and name H1')    0.0  0   6.0
assign (residue 11 and name H6)  (residue 11 and name H1')   0.0  0   4.0
assign (residue 11 and name H6)  (residue 11 and name H2'')  0.0  0   4.0
assign (residue 11 and name H6)  (residue 11 and name H3')   0.0  0   5.0
assign (residue 11 and name H6)  (residue 11 and name C5')   0.0  0   5.0
assign (residue 12 and name N4)  (residue 8 and name H3)     0.0  0   5.0
assign (residue 12 and name N4)  (residue 8 and name H5)     0.0  0   6.0
assign (residue 12 and name H5)  (residue 11 and name H1')   0.0  0   6.0
assign (residue 12 and name H6)  (residue 11 and name H1')   0.0  0   6.0
assign (residue 12 and name H1') (residue 11 and name H1')   0.0  0   7.0
assign (residue 12 and name H5)  (residue 11 and name H4')   0.0  0   7.0
assign (residue 12 and name H6)  (residue 11 and name H4')   0.0  0   6.0
assign (residue 12 and name H6)  (residue 11 and name H6)    0.0  0   6.0
assign (residue 12 and name H6)  (residue 12 and name H1')   0.0  0   4.0
assign (residue 12 and name H6)  (residue 12 and name H2'')  0.0  0   4.0
assign (residue 12 and name H6)  (residue 12 and name H3')   0.0  0   5.0
assign (residue 12 and name H6)  (residue 12 and name C5')   0.0  0   5.0
assign (residue 13 and name H1)  (residue 6 and name H1)     0.0  0   4.0
assign (residue 13 and name H1)  (residue 7 and name H1')    0.0  0   6.0
assign (residue 13 and name N1)  (residue 7 and name N3)     0.0  0   3.2
assign (residue 13 and name H1)  (residue 7 and name N4)     0.0  0   4.0
assign (residue 13 and name H1)  (residue 7 and name H2'')   0.0  0   6.0
assign (residue 13 and name H1)  (residue 8 and name H1')    0.0  0   5.0
assign (residue 13 and name H1)  (residue 8 and name H6)     0.0  0   6.0
{assign (residue 13 and name H1)  (residue 8 and name C1)     0.0  0   8.0}
assign (residue 13 and name H1') (residue 10 and name H1')   0.0  0   7.0
assign (residue 13 and name H8)  (residue 11 and name H1')   0.0  0   7.0
assign (residue 13 and name H1') (residue 11 and name H1')   0.0  0   7.0
assign (residue 13 and name H1') (residue 11 and name H5)    0.0  0   6.0
assign (residue 13 and name H1') (residue 11 and name H6)    0.0  0   6.0
{assign (residue 13 and name H1') (residue 8 and name C1)     0.0  0   8.0}
assign (residue 13 and name H8)  (residue 12 and name H1')   0.0  0   6.0
assign (residue 13 and name H8)  (residue 12 and name H2'')  0.0  0   5.0
assign (residue 13 and name H8)  (residue 12 and name H3')   0.0  0   5.0
assign (residue 13 and name H8)  (residue 12 and name H5)    0.0  0   6.0
assign (residue 13 and name H1') (residue 12 and name H1')   0.0  0   6.0
assign (residue 13 and name H8)  (residue 13 and name H1')   0.0  0   4.0
assign (residue 13 and name H8)  (residue 13 and name H2'')  0.0  0   5.0
assign (residue 13 and name H8)  (residue 13 and name H3')   0.0  0   4.0
assign (residue 13 and name H8)  (residue 13 and name C5')   0.0  0   5.0
assign (residue 14 and name H1') (residue 6 and name H1)     0.0  0   6.0
assign (residue 14 and name N4)  (residue 7 and name N4)     0.0  0   6.0
assign (residue 14 and name N4)  (residue 13 and name H1)    0.0  0   5.0
assign (residue 14 and name H6)  (residue 13 and name H1')   0.0  0   5.0
assign (residue 14 and name H6)  (residue 13 and name H2'')  0.0  0   3.0
assign (residue 14 and name H6)  (residue 13 and name H3')   0.0  0   4.0
assign (residue 14 and name H5)  (residue 13 and name H8)    0.0  0   5.0
assign (residue 14 and name H5)  (residue 13 and name H1')   0.0  0   6.0
assign (residue 14 and name H5)  (residue 13 and name H2'')  0.0  0   5.0
assign (residue 14 and name H5)  (residue 13 and name H3')   0.0  0   5.0
assign (residue 14 and name H1') (residue 13 and name H2'')  0.0  0   5.0
assign (residue 14 and name H6)  (residue 14 and name H1')   0.0  0   4.0
assign (residue 14 and name H6)  (residue 14 and name H2'')  0.0  0   5.0
assign (residue 14 and name H6)  (residue 14 and name H3')   0.0  0   4.0
assign (residue 14 and name H6)  (residue 14 and name C5')   0.0  0   5.0
assign (residue 15 and name H1') (residue 6 and name H1)     0.0  0   5.0   
assign (residue 15 and name H6)  (residue 14 and name H2'')  0.0  0   3.0   
assign (residue 15 and name H5)  (residue 14 and name H2'')  0.0  0   5.0   
assign (residue 15 and name H5)  (residue 14 and name H5)    0.0  0   5.0   
assign (residue 15 and name H1') (residue 14 and name H1')   0.0  0   6.0   
assign (residue 15 and name H6)  (residue 15 and name H1')   0.0  0   5.0   
assign (residue 15 and name H6)  (residue 15 and name H2'')  0.0  0   5.0   
assign (residue 15 and name H5)  (residue 15 and name H2'')  0.0  0   6.0   
assign (residue 15 and name H6)  (residue 15 and name C5')   0.0  0   5.0   
assign (residue 15 and name H5)  (residue 15 and name H1')   0.0  0   6.0   
assign (residue 16 and name H8)  (residue 15 and name H6)    0.0  0   5.0   
assign (residue 16 and name H8)  (residue 15 and name H1')   0.0  0   5.0   
assign (residue 16 and name H8)  (residue 15 and name H2'')  0.0  0   3.0   
assign (residue 16 and name H8)  (residue 15 and name H5)    0.0  0   5.0   
assign (residue 16 and name H1') (residue 15 and name H1')   0.0  0   6.0   
assign (residue 16 and name H2)  (residue 5 and name H1')    0.0  0   5.0   
assign (residue 16 and name H2)  (residue 5 and name H8)     0.0  0   6.0   
assign (residue 16 and name H8)  (residue 16 and name H1')   0.0  0   4.0   
assign (residue 16 and name H8)  (residue 16 and name H2'')  0.0  0   5.0   
assign (residue 16 and name H8)  (residue 16 and name H3')   0.0  0   5.0   
assign (residue 16 and name H8)  (residue 16 and name C5')   0.0  0   5.0   
assign (residue 16 and name H2)  (residue 16 and name H2'')  0.0  0   5.0   
assign (residue 17 and name H8)  (residue 16 and name H8)    0.0  0   5.0   
assign (residue 17 and name H8)  (residue 16 and name H1')   0.0  0   5.0   
assign (residue 17 and name H8)  (residue 16 and name H2)    0.0  0   6.0   
assign (residue 17 and name H8)  (residue 16 and name H2'')  0.0  0   3.0   
assign (residue 17 and name H8)  (residue 16 and name H3')   0.0  0   4.0   
assign (residue 17 and name H1') (residue 16 and name H1')   0.0  0   6.0   
assign (residue 17 and name H1') (residue 16 and name H2)    0.0  0   5.0   
assign (residue 17 and name H8)  (residue 17 and name H1')   0.0  0   4.0   
assign (residue 17 and name H8)  (residue 17 and name H2'')  0.0  0   5.0   
assign (residue 17 and name H8)  (residue 17 and name C5')   0.0  0   5.0   
assign (residue 17 and name N1)  (residue 3 and name N3)     0.0  0   3.2   
assign (residue 17 and name H1)  (residue 3 and name N4)     0.0  0   4.0   
assign (residue 18 and name H1') (residue 2 and name H1)     0.0  0   6.0   
assign (residue 18 and name H5)  (residue 2 and name H1)     0.0  0   6.0   
assign (residue 18 and name H6)  (residue 17 and name H8)    0.0  0   5.0   
assign (residue 18 and name H6)  (residue 17 and name H1')   0.0  0   5.0   
assign (residue 18 and name H6)  (residue 17 and name H2'')  0.0  0   3.0   
assign (residue 18 and name H6)  (residue 17 and name H3')   0.0  0   4.0   
assign (residue 18 and name H5)  (residue 17 and name H8)    0.0  0   5.0   
assign (residue 18 and name H6)  (residue 18 and name H1')   0.0  0   4.0   
assign (residue 18 and name H6)  (residue 18 and name H2'')  0.0  0   5.0   
assign (residue 18 and name H6)  (residue 18 and name H3')   0.0  0   4.0   
assign (residue 18 and name H5)  (residue 18 and name H3')   0.0  0   6.0   
assign (residue 19 and name H1') (residue 2 and name H1)     0.0  0   6.0   
assign (residue 19 and name H6)  (residue 18 and name H6 )   0.0  0   5.0   
assign (residue 19 and name H6)  (residue 18 and name H2'')  0.0  0   3.0   
assign (residue 19 and name H6)  (residue 18 and name H3')   0.0  0   4.0   
assign (residue 19 and name H6)  (residue 18 and name H5)    0.0  0   6.0   
assign (residue 19 and name H5)  (residue 18 and name H5)    0.0  0   5.0   
assign (residue 19 and name H5)  (residue 18 and name H3')   0.0  0   6.0   
assign (residue 19 and name H6)  (residue 19 and name H1')   0.0  0   5.0   
assign (residue 19 and name H6)  (residue 19 and name H2'')  0.0  0   5.0   
assign (residue 19 and name H6)  (residue 19 and name H3')   0.0  0   4.0   
assign (residue 19 and name H6)  (residue 19 and name H4')   0.0  0   6.0   
assign (residue 19 and name H5)  (residue 19 and name H1')   0.0  0   6.0   
assign (residue 19 and name H5)  (residue 19 and name H2'')  0.0  0   6.0   

end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1  -8.023  -7.900   2.051
    2   2H5*    G   1          2H5*        G   1  -9.771  -7.895   2.363
    3    H4*    G   1           H4*        G   1  -9.424  -8.748   4.610
    4    H3*    G   1           H3*        G   1  -6.454  -8.336   4.027
    5    H2*    G   1           H2*        G   1  -5.992 -10.377   5.280
    6   2HO*    G   1          2HO*        G   1  -7.767  -9.863   6.829
    7    H1*    G   1           H1*        G   1  -7.788 -11.915   3.981
    8    H8     G   1           H8         G   1  -7.325  -9.758   1.120
    9    H1     G   1           H1         G   1  -1.850 -12.797   2.482
   10   1H2     G   1          1H2         G   1  -3.364 -13.471   5.530
   11   2H2     G   1          2H2         G   1  -1.946 -13.649   4.521
   12    H5T    G   1           H5T        G   1  -7.811  -6.344   3.722
   13   1H5*    G   2          2H5*        G   2  -6.284  -8.889   8.159
   14   2H5*    G   2          1H5*        G   2  -5.367  -7.580   8.934
   15    H4*    G   2           H4*        G   2  -4.344  -9.772   9.373
   16    H3*    G   2           H3*        G   2  -2.725  -7.894   7.569
   17    H2*    G   2           H2*        G   2  -0.981  -9.601   7.623
   18   2HO*    G   2          2HO*        G   2  -1.503 -10.084   9.932
   19    H1*    G   2           H1*        G   2  -2.658 -11.691   7.073
   20    H8     G   2           H8         G   2  -4.378  -9.056   5.142
   21    H1     G   2           H1         G   2   1.202 -10.716   2.460
   22   1H2     G   2          1H2         G   2   1.836 -12.249   5.507
   23   2H2     G   2          2H2         G   2   2.422 -11.868   3.903
   24   1H5*    C   3          1H5*        C   3   0.227  -8.809  10.438
   25   2H5*    C   3          2H5*        C   3   1.006  -7.290  10.927
   26    H4*    C   3           H4*        C   3   2.639  -8.831   9.940
   27    H3*    C   3           H3*        C   3   2.000  -6.366   8.227
   28    H2*    C   3           H2*        C   3   3.770  -7.163   6.742
   29   2HO*    C   3          2HO*        C   3   5.053  -7.930   8.637
   30    H1*    C   3           H1*        C   3   2.848  -9.738   6.647
   31   1H4     C   3          1H4         C   3  -0.323  -6.697   2.052
   32   2H4     C   3          2H4         C   3  -1.596  -6.263   3.171
   33    H5     C   3           H5         C   3  -1.456  -6.763   5.580
   34    H6     C   3           H6         C   3  -0.050  -7.728   7.323
   35   1H5*    U   4          2H5*        U   4   6.363  -6.406   8.550
   36   2H5*    U   4          1H5*        U   4   6.861  -4.727   8.845
   37    H4*    U   4           H4*        U   4   7.972  -5.646   6.856
   38    H3*    U   4           H3*        U   4   5.869  -3.494   6.224
   39    H2*    U   4           H2*        U   4   6.763  -3.634   3.948
   40   2HO*    U   4          2HO*        U   4   8.757  -4.278   3.637
   41    H1*    U   4           H1*        U   4   6.675  -6.381   3.873
   42    H3     U   4           H3         U   4   3.094  -4.941   1.450
   43    H5     U   4           H5         U   4   1.837  -4.635   5.459
   44    H6     U   4           H6         U   4   4.108  -5.176   6.134
   45   1H5*    G   5          1H5*        G   5   9.552  -2.634   4.346
   46   2H5*    G   5          2H5*        G   5   9.907  -0.895   4.310
   47    H4*    G   5           H4*        G   5   9.927  -1.937   2.053
   48    H3*    G   5           H3*        G   5   7.658   0.094   2.509
   49    H2*    G   5           H2*        G   5   7.344  -0.140   0.089
   50   2HO*    G   5          2HO*        G   5   9.666  -0.258  -0.331
   51    H1*    G   5           H1*        G   5   7.495  -2.904   0.151
   52    H8     G   5           H8         G   5   5.658  -2.235   3.293
   53    H1     G   5           H1         G   5   2.097  -0.937  -1.881
   54   1H2     G   5          1H2         G   5   3.383  -0.857  -3.680
   55   2H2     G   5          2H2         G   5   5.105  -1.155  -3.595
   56   1H5*    G   6          2H5*        G   6  10.145   1.381  -0.797
   57   2H5*    G   6          1H5*        G   6  10.211   3.149  -0.933
   58    H4*    G   6           H4*        G   6   9.354   1.978  -2.984
   59    H3*    G   6           H3*        G   6   7.448   3.927  -1.566
   60    H2*    G   6           H2*        G   6   5.969   3.538  -3.477
   61   2HO*    G   6          2HO*        G   6   8.282   2.253  -4.540
   62    H1*    G   6           H1*        G   6   6.216   0.809  -3.401
   63    H8     G   6           H8         G   6   6.435   1.588   0.218
   64    H1     G   6           H1         G   6   0.530   2.528  -2.099
   65   1H2     G   6          1H2         G   6   2.073   2.305  -5.200
   66   2H2     G   6          2H2         G   6   0.588   2.570  -4.313
   67   1H5*    C   7          2H5*        C   7   7.537   4.827  -5.787
   68   2H5*    C   7          1H5*        C   7   7.635   6.585  -6.018
   69    H4*    C   7           H4*        C   7   5.741   5.576  -7.256
   70    H3*    C   7           H3*        C   7   5.016   7.487  -4.968
   71    H2*    C   7           H2*        C   7   2.693   7.181  -5.651
   72   2HO*    C   7          2HO*        C   7   3.674   6.908  -8.005
   73    H1*    C   7           H1*        C   7   2.824   4.456  -5.791
   74   1H4     C   7          1H4         C   7   1.421   5.612   0.291
   75   2H4     C   7          2H4         C   7   3.119   5.721   0.700
   76    H5     C   7           H5         C   7   4.893   5.609  -1.007
   77    H6     C   7           H6         C   7   5.331   5.424  -3.400
   78   1H5*   +U   8          1H5*       +U   8   2.741   9.920  -8.876
   79   2H5*   +U   8          2H5*       +U   8   2.502   8.217  -8.436
   80    H4*   +U   8           H4*       +U   8   0.353   9.324  -8.859
   81    H3*   +U   8           H3*       +U   8   1.262  11.273  -6.675
   82    H2*   +U   8           H2*       +U   8  -1.082  11.419  -6.024
   83    H1*   +U   8           H1*       +U   8  -1.512   8.717  -6.007
   84    H3    +U   8           H3        +U   8  -0.906   9.868  -1.634
   85    H5    +U   8           H5        +U   8   2.989   9.425  -3.182
   86    H6    +U   8           H6        +U   8   2.005   9.226  -5.395
   87   1H5*    G   9          1H5*        G   9   0.496  15.907  -8.048
   88   2H5*    G   9          2H5*        G   9   0.765  15.502  -6.340
   89    H4*    G   9           H4*        G   9  -1.079  17.122  -6.640
   90    H3*    G   9           H3*        G   9  -1.296  15.037  -4.865
   91    H2*    G   9           H2*        G   9  -2.259  13.507  -6.558
   92   2HO*    G   9          2HO*        G   9  -4.407  14.840  -5.205
   93    H1*    G   9           H1*        G   9  -4.135  15.828  -7.245
   94    H8     G   9           H8         G   9  -1.905  13.245  -9.167
   95    H1     G   9           H1         G   9  -8.084  13.480 -10.867
   96   1H2     G   9          1H2         G   9  -8.351  15.818  -8.314
   97   2H2     G   9          2H2         G   9  -9.160  14.935  -9.588
   98   1H5*    U  10          2H5*        U  10  -5.828  16.848  -3.766
   99   2H5*    U  10          1H5*        U  10  -5.296  17.362  -2.151
  100    H4*    U  10           H4*        U  10  -7.322  16.090  -1.886
  101    H3*    U  10           H3*        U  10  -4.841  14.452  -1.130
  102    H2*    U  10           H2*        U  10  -6.353  12.699  -0.496
  103   2HO*    U  10          2HO*        U  10  -7.716  14.377   0.618
  104    H1*    U  10           H1*        U  10  -8.269  13.202  -2.528
  105    H3     U  10           H3         U  10  -7.057   9.164  -4.045
  106    H5     U  10           H5         U  10  -3.397  11.246  -3.932
  107    H6     U  10           H6         U  10  -4.583  13.126  -2.947
  108   1H5*    U  11          1H5*        U  11  -5.696  13.766   1.892
  109   2H5*    U  11          2H5*        U  11  -5.292  14.735   3.324
  110    H4*    U  11           H4*        U  11  -4.690  12.314   3.520
  111    H3*    U  11           H3*        U  11  -3.136  14.276   4.595
  112    H2*    U  11           H2*        U  11  -1.941  14.665   2.439
  113   2HO*    U  11          2HO*        U  11  -0.474  12.886   4.137
  114    H1*    U  11           H1*        U  11  -1.513  11.635   2.449
  115    H3     U  11           H3         U  11   1.305  12.271  -1.036
  116    H5     U  11           H5         U  11  -2.385  13.798  -2.377
  117    H6     U  11           H6         U  11  -3.225  13.547  -0.110
  118   1H5*    C  12          2H5*        C  12  -5.960  12.172   5.417
  119   2H5*    C  12          1H5*        C  12  -6.372  10.593   6.113
  120    H4*    C  12           H4*        C  12  -7.376  11.332   3.802
  121    H3*    C  12           H3*        C  12  -7.158   8.769   4.823
  122    H2*    C  12           H2*        C  12  -4.972   8.293   3.873
  123   2HO*    C  12          2HO*        C  12  -6.696   7.747   1.662
  124    H1*    C  12           H1*        C  12  -5.792   9.646   1.268
  125   1H4     C  12          1H4         C  12   0.457   9.230   0.256
  126   2H4     C  12          2H4         C  12   0.800   9.025   1.958
  127    H5     C  12           H5         C  12  -0.941   9.172   3.680
  128    H6     C  12           H6         C  12  -3.330   9.442   4.067
  129   1H5*    G  13          2H5*        G  13  -9.024   9.131   0.463
  130   2H5*    G  13          1H5*        G  13  -9.927   7.727  -0.138
  131    H4*    G  13           H4*        G  13  -8.236   8.635  -1.753
  132    H3*    G  13           H3*        G  13  -7.725   5.771  -0.752
  133    H2*    G  13           H2*        G  13  -5.956   5.752  -2.391
  134   2HO*    G  13          2HO*        G  13  -6.929   6.468  -4.210
  135    H1*    G  13           H1*        G  13  -5.362   8.550  -2.116
  136    H8     G  13           H8         G  13  -5.172   6.988   1.270
  137    H1     G  13           H1         G  13  -0.068   5.692  -2.382
  138   1H2     G  13          1H2         G  13  -2.005   6.966  -4.962
  139   2H2     G  13          2H2         G  13  -0.509   6.187  -4.495
  140   1H5*    C  14          1H5*        C  14  -7.801   2.531  -4.279
  141   2H5*    C  14          2H5*        C  14  -6.882   3.051  -2.851
  142    H4*    C  14           H4*        C  14  -6.086   3.632  -5.728
  143    H3*    C  14           H3*        C  14  -5.097   1.467  -3.785
  144    H2*    C  14           H2*        C  14  -2.932   1.738  -4.894
  145   2HO*    C  14          2HO*        C  14  -4.012   2.096  -7.015
  146    H1*    C  14           H1*        C  14  -2.933   4.468  -4.714
  147   1H4     C  14          1H4         C  14  -2.019   2.470   1.531
  148   2H4     C  14          2H4         C  14  -0.481   2.206   0.738
  149    H5     C  14           H5         C  14  -4.020   3.223   0.302
  150    H6     C  14           H6         C  14  -4.897   3.780  -1.906
  151   1H5*    C  15          1H5*        C  15  -3.754   0.590  -7.881
  152   2H5*    C  15          2H5*        C  15  -3.880  -1.154  -8.183
  153    H4*    C  15           H4*        C  15  -1.620  -0.244  -8.683
  154    H3*    C  15           H3*        C  15  -1.797  -2.253  -6.365
  155    H2*    C  15           H2*        C  15   0.655  -2.130  -6.347
  156   2HO*    C  15          2HO*        C  15   0.536  -1.775  -8.815
  157    H1*    C  15           H1*        C  15   0.719   0.592  -6.289
  158   1H4     C  15          1H4         C  15  -0.021  -1.081  -0.194
  159   2H4     C  15          2H4         C  15  -1.762  -1.097  -0.376
  160    H5     C  15           H5         C  15  -2.863  -0.730  -2.546
  161    H6     C  15           H6         C  15  -2.481  -0.330  -4.920
  162   1H5*    A  16          2H5*        A  16   1.390  -3.293  -8.779
  163   2H5*    A  16          1H5*        A  16   1.501  -5.043  -9.052
  164    H4*    A  16           H4*        A  16   3.573  -4.105  -8.072
  165    H3*    A  16           H3*        A  16   2.010  -6.002  -6.224
  166    H2*    A  16           H2*        A  16   3.987  -5.837  -4.791
  167   2HO*    A  16          2HO*        A  16   5.452  -5.827  -6.674
  168    H1*    A  16           H1*        A  16   4.158  -3.090  -4.996
  169    H8     A  16           H8         A  16   0.477  -3.594  -4.981
  170   1H6     A  16          1H6         A  16  -0.224  -4.331  -0.220
  171   2H6     A  16          2H6         A  16   0.866  -4.565   1.129
  172    H2     A  16           H2         A  16   4.996  -4.703  -0.552
  173   1H5*    G  17          2H5*        G  17   6.078  -7.672  -6.706
  174   2H5*    G  17          1H5*        G  17   5.910  -9.429  -6.893
  175    H4*    G  17           H4*        G  17   7.479  -8.828  -5.078
  176    H3*    G  17           H3*        G  17   4.871 -10.167  -4.152
  177    H2*    G  17           H2*        G  17   5.937 -10.220  -1.956
  178   2HO*    G  17          2HO*        G  17   8.063 -10.723  -2.979
  179    H1*    G  17           H1*        G  17   6.850  -7.612  -2.087
  180    H8     G  17           H8         G  17   3.537  -7.397  -3.779
  181    H1     G  17           H1         G  17   3.019  -8.115   2.569
  182   1H2     G  17          1H2         G  17   4.962  -8.740   3.418
  183   2H2     G  17          2H2         G  17   6.380  -8.955   2.417
  184   1H5*    C  18          1H5*        C  18   7.940 -12.534  -2.354
  185   2H5*    C  18          2H5*        C  18   7.506 -14.242  -2.563
  186    H4*    C  18           H4*        C  18   7.799 -13.677  -0.186
  187    H3*    C  18           H3*        C  18   4.914 -14.304  -1.027
  188    H2*    C  18           H2*        C  18   4.374 -14.128   1.346
  189   2HO*    C  18          2HO*        C  18   6.621 -15.123   1.791
  190    H1*    C  18           H1*        C  18   5.769 -11.792   1.743
  191   1H4     C  18          1H4         C  18  -0.044  -9.880   0.045
  192   2H4     C  18          2H4         C  18   0.387  -9.953  -1.650
  193    H5     C  18           H5         C  18   2.554 -10.839  -2.422
  194    H6     C  18           H6         C  18   4.671 -11.808  -1.693
  195   1H5*    C  19          2H5*        C  19   5.661 -16.829   2.279
  196   2H5*    C  19          1H5*        C  19   4.964 -18.441   2.016
  197    H4*    C  19           H4*        C  19   4.023 -17.367   4.022
  198    H3*    C  19           H3*        C  19   2.052 -17.594   1.690
  199    H2*    C  19           H2*        C  19   0.379 -16.890   3.303
  200   2HO*    C  19          2HO*        C  19   1.535 -18.140   5.053
  201    H1*    C  19           H1*        C  19   1.924 -14.804   4.228
  202   1H4     C  19          1H4         C  19  -1.337 -12.283  -0.597
  203   2H4     C  19          2H4         C  19  -0.208 -12.931  -1.769
  204    H5     C  19           H5         C  19   1.700 -14.348  -1.111
  205    H6     C  19           H6         C  19   2.777 -15.475   0.767
  206    H3T    C  19           H3T        C  19   2.984 -19.524   2.699
  207   1HC   CH3   8          1HC       CH3   8  -3.224  11.614  -6.621
  208   2HC   CH3   8          2HC       CH3   8  -3.933  10.600  -7.880
  209   3HC   CH3   8          3HC       CH3   8  -3.295   9.862  -6.408
  Start of MODEL    2
    1   1H5*    G   1          2H5*        G   1 -10.252  -8.571   2.472
    2   2H5*    G   1          1H5*        G   1  -9.410  -7.367   3.469
    3    H4*    G   1           H4*        G   1  -9.584  -9.553   4.610
    4    H3*    G   1           H3*        G   1  -6.749  -8.681   3.819
    5    H2*    G   1           H2*        G   1  -5.997 -10.667   5.036
    6   2HO*    G   1          2HO*        G   1  -7.659 -10.397   6.710
    7    H1*    G   1           H1*        G   1  -7.780 -12.362   3.839
    8    H8     G   1           H8         G   1  -7.383 -10.309   0.901
    9    H1     G   1           H1         G   1  -1.808 -13.101   2.382
   10   1H2     G   1          1H2         G   1  -1.879 -13.872   4.453
   11   2H2     G   1          2H2         G   1  -3.304 -13.707   5.453
   12    H5T    G   1           H5T        G   1  -8.067  -8.928   1.533
   13   1H5*    G   2          1H5*        G   2  -6.309  -9.389   7.988
   14   2H5*    G   2          2H5*        G   2  -5.433  -8.029   8.719
   15    H4*    G   2           H4*        G   2  -4.268 -10.168   9.095
   16    H3*    G   2           H3*        G   2  -2.845  -8.166   7.259
   17    H2*    G   2           H2*        G   2  -1.002  -9.768   7.189
   18   2HO*    G   2          2HO*        G   2  -1.367 -10.351   9.494
   19    H1*    G   2           H1*        G   2  -2.566 -11.926   6.627
   20    H8     G   2           H8         G   2  -4.559  -9.291   4.949
   21    H1     G   2           H1         G   2   0.889 -10.548   1.818
   22   1H2     G   2          1H2         G   2   1.807 -12.182   4.738
   23   2H2     G   2          2H2         G   2   2.261 -11.696   3.120
   24   1H5*    C   3          1H5*        C   3   0.220  -9.167   9.990
   25   2H5*    C   3          2H5*        C   3   1.068  -7.685  10.477
   26    H4*    C   3           H4*        C   3   2.587  -9.290   9.380
   27    H3*    C   3           H3*        C   3   2.037  -6.699   7.829
   28    H2*    C   3           H2*        C   3   3.696  -7.508   6.227
   29   2HO*    C   3          2HO*        C   3   4.950  -8.489   8.091
   30    H1*    C   3           H1*        C   3   2.621 -10.012   6.017
   31   1H4     C   3          1H4         C   3  -0.594  -6.552   1.768
   32   2H4     C   3          2H4         C   3  -1.805  -6.151   2.965
   33    H5     C   3           H5         C   3  -1.589  -6.818   5.328
   34    H6     C   3           H6         C   3  -0.150  -7.941   6.944
   35   1H5*    U   4          1H5*        U   4   6.299  -7.251   7.718
   36   2H5*    U   4          2H5*        U   4   7.044  -5.688   8.111
   37    H4*    U   4           H4*        U   4   7.865  -6.547   5.960
   38    H3*    U   4           H3*        U   4   6.050  -4.078   5.728
   39    H2*    U   4           H2*        U   4   6.670  -4.105   3.367
   40   2HO*    U   4          2HO*        U   4   8.490  -5.004   2.729
   41    H1*    U   4           H1*        U   4   6.249  -6.810   3.055
   42    H3     U   4           H3         U   4   2.665  -4.798   1.103
   43    H5     U   4           H5         U   4   1.797  -4.714   5.225
   44    H6     U   4           H6         U   4   4.048  -5.533   5.640
   45   1H5*    G   5          1H5*        G   5   9.542  -3.601   3.461
   46   2H5*    G   5          2H5*        G   5  10.195  -1.953   3.554
   47    H4*    G   5           H4*        G   5   9.768  -2.670   1.219
   48    H3*    G   5           H3*        G   5   7.947  -0.407   2.231
   49    H2*    G   5           H2*        G   5   7.199  -0.280  -0.079
   50   2HO*    G   5          2HO*        G   5   8.521  -0.793  -1.653
   51    H1*    G   5           H1*        G   5   7.079  -3.048  -0.441
   52    H8     G   5           H8         G   5   5.661  -2.482   2.966
   53    H1     G   5           H1         G   5   1.663  -0.664  -1.709
   54   1H2     G   5          1H2         G   5   2.745  -0.584  -3.637
   55   2H2     G   5          2H2         G   5   4.444  -0.984  -3.757
   56   1H5*    G   6          1H5*        G   6   9.830   0.569  -1.515
   57   2H5*    G   6          2H5*        G   6  10.326   2.274  -1.547
   58    H4*    G   6           H4*        G   6   8.905   1.673  -3.484
   59    H3*    G   6           H3*        G   6   7.680   3.650  -1.479
   60    H2*    G   6           H2*        G   6   5.832   3.832  -3.051
   61   2HO*    G   6          2HO*        G   6   6.641   3.850  -5.050
   62    H1*    G   6           H1*        G   6   5.609   1.120  -3.508
   63    H8     G   6           H8         G   6   6.547   1.542   0.132
   64    H1     G   6           H1         G   6   0.347   2.644  -1.082
   65   1H2     G   6          1H2         G   6   0.027   2.815  -3.264
   66   2H2     G   6          2H2         G   6   1.339   2.625  -4.405
   67   1H5*    C   7          1H5*        C   7   7.738   5.338  -5.663
   68   2H5*    C   7          2H5*        C   7   7.985   7.094  -5.565
   69    H4*    C   7           H4*        C   7   5.963   6.486  -6.872
   70    H3*    C   7           H3*        C   7   5.519   8.012  -4.250
   71    H2*    C   7           H2*        C   7   3.151   8.023  -4.813
   72   2HO*    C   7          2HO*        C   7   2.667   8.133  -6.868
   73    H1*    C   7           H1*        C   7   3.014   5.376  -5.500
   74   1H4     C   7          1H4         C   7   1.904   5.243   0.736
   75   2H4     C   7          2H4         C   7   3.600   5.460   1.109
   76    H5     C   7           H5         C   7   5.288   5.876  -0.638
   77    H6     C   7           H6         C   7   5.641   6.098  -3.040
   78   1H5*   +U   8          1H5*       +U   8   3.408  11.217  -7.958
   79   2H5*   +U   8          2H5*       +U   8   3.580   9.458  -7.786
   80    H4*   +U   8           H4*       +U   8   1.269   9.929  -8.251
   81    H3*   +U   8           H3*       +U   8   1.452  11.991  -5.990
   82    H2*   +U   8           H2*       +U   8  -0.875  11.477  -5.506
   83    H1*   +U   8           H1*       +U   8  -0.598   8.747  -5.635
   84    H3    +U   8           H3        +U   8  -0.831   9.864  -1.203
   85    H5    +U   8           H5        +U   8   3.244  10.183  -2.229
   86    H6    +U   8           H6        +U   8   2.597   9.942  -4.560
   87   1H5*    G   9          2H5*        G   9  -2.094  12.584  -7.258
   88   2H5*    G   9          1H5*        G   9  -2.035  13.620  -8.696
   89    H4*    G   9           H4*        G   9  -4.160  13.761  -7.329
   90    H3*    G   9           H3*        G   9  -3.157  15.871  -8.716
   91    H2*    G   9           H2*        G   9  -1.521  16.440  -6.937
   92   2HO*    G   9          2HO*        G   9  -3.902  18.012  -6.717
   93    H1*    G   9           H1*        G   9  -3.902  16.380  -5.013
   94    H8     G   9           H8         G   9  -0.071  16.008  -5.491
   95    H1     G   9           H1         G   9  -2.083  16.393   0.584
   96   1H2     G   9          1H2         G   9  -4.297  16.351   0.644
   97   2H2     G   9          2H2         G   9  -5.258  16.276  -0.814
   98   1H5*    U  10          2H5*        U  10  -8.205  14.485  -6.300
   99   2H5*    U  10          1H5*        U  10  -7.003  15.204  -5.210
  100    H4*    U  10           H4*        U  10  -8.191  13.177  -4.294
  101    H3*    U  10           H3*        U  10  -5.574  13.740  -3.735
  102    H2*    U  10           H2*        U  10  -4.737  12.625  -5.780
  103   2HO*    U  10          2HO*        U  10  -4.709  10.770  -3.598
  104    H1*    U  10           H1*        U  10  -6.491  10.252  -4.969
  105    H3     U  10           H3         U  10  -5.182   7.807  -8.475
  106    H5     U  10           H5         U  10  -5.299  11.698 -10.086
  107    H6     U  10           H6         U  10  -5.924  12.509  -7.881
  108   1H5*    U  11          1H5*        U  11  -5.787  10.491  -0.229
  109   2H5*    U  11          2H5*        U  11  -6.539  11.483   1.036
  110    H4*    U  11           H4*        U  11  -4.367  10.675   1.790
  111    H3*    U  11           H3*        U  11  -5.017  13.375   2.020
  112    H2*    U  11           H2*        U  11  -3.850  13.959  -0.078
  113   2HO*    U  11          2HO*        U  11  -1.922  14.130   2.039
  114    H1*    U  11           H1*        U  11  -1.631  12.138   0.998
  115    H3     U  11           H3         U  11   1.175  13.332  -2.286
  116    H5     U  11           H5         U  11  -2.464  12.771  -4.333
  117    H6     U  11           H6         U  11  -3.529  12.387  -2.180
  118   1H5*    C  12          1H5*        C  12  -5.584  11.397   3.387
  119   2H5*    C  12          2H5*        C  12  -6.324  11.127   4.976
  120    H4*    C  12           H4*        C  12  -5.956   9.010   3.772
  121    H3*    C  12           H3*        C  12  -5.368   9.214   6.443
  122    H2*    C  12           H2*        C  12  -3.074  10.066   5.898
  123   2HO*    C  12          2HO*        C  12  -2.733   7.259   6.277
  124    H1*    C  12           H1*        C  12  -2.988   7.575   4.132
  125   1H4     C  12          1H4         C  12   2.284  11.025   2.181
  126   2H4     C  12          2H4         C  12   2.921   9.715   3.148
  127    H5     C  12           H5         C  12  -0.122  11.522   2.073
  128    H6     C  12           H6         C  12  -2.334  10.788   2.778
  129   1H5*    G  13          2H5*        G  13  -7.763   8.400   3.334
  130   2H5*    G  13          1H5*        G  13  -8.379   6.913   2.589
  131    H4*    G  13           H4*        G  13  -7.536   8.798   1.030
  132    H3*    G  13           H3*        G  13  -6.484   5.925   0.747
  133    H2*    G  13           H2*        G  13  -5.319   6.753  -1.227
  134   2HO*    G  13          2HO*        G  13  -6.999   8.045  -2.062
  135    H1*    G  13           H1*        G  13  -4.445   9.101  -0.018
  136    H8     G  13           H8         G  13  -3.946   6.855   2.777
  137    H1     G  13           H1         G  13   0.126   5.540  -1.991
  138   1H2     G  13          1H2         G  13  -1.981   7.533  -3.895
  139   2H2     G  13          2H2         G  13  -0.588   6.473  -3.867
  140   1H5*    C  14          2H5*        C  14  -8.044   2.749  -1.890
  141   2H5*    C  14          1H5*        C  14  -6.559   2.566  -0.938
  142    H4*    C  14           H4*        C  14  -6.955   4.023  -3.556
  143    H3*    C  14           H3*        C  14  -5.221   1.706  -2.606
  144    H2*    C  14           H2*        C  14  -3.410   2.487  -4.022
  145   2HO*    C  14          2HO*        C  14  -5.112   3.173  -5.672
  146    H1*    C  14           H1*        C  14  -3.474   5.071  -3.240
  147   1H4     C  14          1H4         C  14  -1.594   2.187   2.391
  148   2H4     C  14          2H4         C  14  -0.253   1.883   1.308
  149    H5     C  14           H5         C  14  -3.650   3.325   1.644
  150    H6     C  14           H6         C  14  -4.847   4.177  -0.297
  151   1H5*    C  15          1H5*        C  15  -4.695   1.554  -6.838
  152   2H5*    C  15          2H5*        C  15  -4.967  -0.112  -7.391
  153    H4*    C  15           H4*        C  15  -2.735   0.698  -8.041
  154    H3*    C  15           H3*        C  15  -2.754  -1.524  -5.923
  155    H2*    C  15           H2*        C  15  -0.314  -1.512  -6.164
  156   2HO*    C  15          2HO*        C  15  -0.644  -0.948  -8.553
  157    H1*    C  15           H1*        C  15  -0.086   1.187  -5.868
  158   1H4     C  15          1H4         C  15  -0.252  -0.979   0.107
  159   2H4     C  15          2H4         C  15  -2.001  -0.902   0.121
  160    H5     C  15           H5         C  15  -3.306  -0.262  -1.863
  161    H6     C  15           H6         C  15  -3.165   0.322  -4.226
  162   1H5*    A  16          2H5*        A  16   0.014  -2.554  -8.803
  163   2H5*    A  16          1H5*        A  16   0.015  -4.287  -9.186
  164    H4*    A  16           H4*        A  16   2.214  -3.483  -8.359
  165    H3*    A  16           H3*        A  16   0.758  -5.458  -6.505
  166    H2*    A  16           H2*        A  16   2.860  -5.459  -5.255
  167   2HO*    A  16          2HO*        A  16   4.153  -5.378  -7.252
  168    H1*    A  16           H1*        A  16   3.134  -2.711  -5.301
  169    H8     A  16           H8         A  16  -0.553  -3.138  -4.956
  170   1H6     A  16          1H6         A  16   0.412  -4.373   1.038
  171   2H6     A  16          2H6         A  16  -0.801  -4.084  -0.189
  172    H2     A  16           H2         A  16   4.353  -4.525  -1.049
  173   1H5*    G  17          1H5*        G  17   4.734  -7.177  -7.513
  174   2H5*    G  17          2H5*        G  17   4.492  -8.910  -7.806
  175    H4*    G  17           H4*        G  17   6.265  -8.487  -6.135
  176    H3*    G  17           H3*        G  17   3.727  -9.823  -5.030
  177    H2*    G  17           H2*        G  17   5.013 -10.061  -2.969
  178   2HO*    G  17          2HO*        G  17   7.181  -9.915  -2.942
  179    H1*    G  17           H1*        G  17   6.001  -7.478  -3.018
  180    H8     G  17           H8         G  17   2.525  -7.087  -4.321
  181    H1     G  17           H1         G  17   2.693  -8.131   2.001
  182   1H2     G  17          1H2         G  17   5.989  -9.047   1.435
  183   2H2     G  17          2H2         G  17   4.698  -8.843   2.597
  184   1H5*    C  18          1H5*        C  18   7.066 -12.016  -3.746
  185   2H5*    C  18          2H5*        C  18   6.767 -13.765  -3.814
  186    H4*    C  18           H4*        C  18   7.390 -13.023  -1.542
  187    H3*    C  18           H3*        C  18   4.517 -14.044  -1.887
  188    H2*    C  18           H2*        C  18   4.296 -13.763   0.526
  189   2HO*    C  18          2HO*        C  18   6.760 -14.392   0.608
  190    H1*    C  18           H1*        C  18   5.404 -11.255   0.598
  191   1H4     C  18          1H4         C  18  -0.551 -10.315  -2.145
  192   2H4     C  18          2H4         C  18  -0.766 -10.159  -0.415
  193    H5     C  18           H5         C  18   1.602 -10.970  -3.150
  194    H6     C  18           H6         C  18   3.897 -11.631  -2.660
  195   1H5*    C  19          1H5*        C  19   6.053 -16.171   1.475
  196   2H5*    C  19          2H5*        C  19   5.570 -17.877   1.370
  197    H4*    C  19           H4*        C  19   4.767 -16.849   3.453
  198    H3*    C  19           H3*        C  19   2.569 -17.491   1.423
  199    H2*    C  19           H2*        C  19   1.007 -16.895   3.186
  200   2HO*    C  19          2HO*        C  19   3.268 -16.445   4.872
  201    H1*    C  19           H1*        C  19   2.281 -14.540   3.750
  202   1H4     C  19          1H4         C  19  -0.501 -13.565  -2.190
  203   2H4     C  19          2H4         C  19  -1.587 -12.899  -0.989
  204    H5     C  19           H5         C  19   1.636 -14.633  -1.571
  205    H6     C  19           H6         C  19   2.979 -15.434   0.301
  206    H3T    C  19           H3T        C  19   3.209 -18.727   3.906
  207   1HC   CH3   8          1HC       CH3   8  -2.856  10.899  -6.010
  208   2HC   CH3   8          2HC       CH3   8  -2.558   9.187  -6.327
  209   3HC   CH3   8          3HC       CH3   8  -3.321  10.193  -7.559
  Start of MODEL    3
    1   1H5*    G   1          2H5*        G   1  -9.024  -7.696   1.577
    2   2H5*    G   1          1H5*        G   1 -10.734  -7.858   2.029
    3    H4*    G   1           H4*        G   1 -10.108  -8.396   4.330
    4    H3*    G   1           H3*        G   1  -7.244  -7.877   3.378
    5    H2*    G   1           H2*        G   1  -6.545  -9.688   4.869
    6   2HO*    G   1          2HO*        G   1  -8.250  -9.063   6.467
    7    H1*    G   1           H1*        G   1  -8.325 -11.481   3.922
    8    H8     G   1           H8         G   1  -8.157  -9.575   0.819
    9    H1     G   1           H1         G   1  -2.527 -12.382   2.041
   10   1H2     G   1          1H2         G   1  -3.814 -12.836   5.230
   11   2H2     G   1          2H2         G   1  -2.463 -13.064   4.144
   12    H5T    G   1           H5T        G   1  -9.966  -5.676   1.989
   13   1H5*    G   2          1H5*        G   2  -6.873  -8.020   7.572
   14   2H5*    G   2          2H5*        G   2  -5.887  -6.677   8.187
   15    H4*    G   2           H4*        G   2  -4.956  -8.881   8.814
   16    H3*    G   2           H3*        G   2  -3.279  -7.198   6.875
   17    H2*    G   2           H2*        G   2  -1.595  -8.962   7.045
   18   2HO*    G   2          2HO*        G   2  -2.168  -9.276   9.385
   19    H1*    G   2           H1*        G   2  -3.336 -11.009   6.600
   20    H8     G   2           H8         G   2  -5.016  -8.413   4.578
   21    H1     G   2           H1         G   2   0.484 -10.326   1.900
   22   1H2     G   2          1H2         G   2   1.136 -11.721   5.008
   23   2H2     G   2          2H2         G   2   1.685 -11.466   3.367
   24   1H5*    C   3          1H5*        C   3  -0.396  -8.251   9.740
   25   2H5*    C   3          2H5*        C   3   0.539  -6.804  10.170
   26    H4*    C   3           H4*        C   3   1.987  -8.566   9.244
   27    H3*    C   3           H3*        C   3   1.653  -6.075   7.482
   28    H2*    C   3           H2*        C   3   3.316  -7.107   6.014
   29   2HO*    C   3          2HO*        C   3   4.485  -8.007   7.928
   30    H1*    C   3           H1*        C   3   2.074  -9.535   5.932
   31   1H4     C   3          1H4         C   3  -0.787  -6.144   1.380
   32   2H4     C   3          2H4         C   3  -1.986  -5.567   2.518
   33    H5     C   3           H5         C   3  -1.895  -6.127   4.915
   34    H6     C   3           H6         C   3  -0.584  -7.247   6.639
   35   1H5*    U   4          1H5*        U   4   5.897  -6.667   7.810
   36   2H5*    U   4          2H5*        U   4   6.691  -5.088   7.976
   37    H4*    U   4           H4*        U   4   7.501  -6.337   6.002
   38    H3*    U   4           H3*        U   4   5.884  -3.802   5.360
   39    H2*    U   4           H2*        U   4   6.590  -4.225   3.046
   40   2HO*    U   4          2HO*        U   4   8.724  -5.034   3.758
   41    H1*    U   4           H1*        U   4   5.832  -6.852   3.096
   42    H3     U   4           H3         U   4   2.481  -4.600   0.964
   43    H5     U   4           H5         U   4   1.654  -4.115   5.066
   44    H6     U   4           H6         U   4   3.813  -5.127   5.544
   45   1H5*    G   5          2H5*        G   5   9.589  -3.577   3.360
   46   2H5*    G   5          1H5*        G   5  10.206  -1.920   3.216
   47    H4*    G   5           H4*        G   5   9.813  -3.072   1.020
   48    H3*    G   5           H3*        G   5   8.120  -0.565   1.581
   49    H2*    G   5           H2*        G   5   7.446  -0.803  -0.761
   50   2HO*    G   5          2HO*        G   5   9.625  -1.470  -1.427
   51    H1*    G   5           H1*        G   5   6.972  -3.516  -0.563
   52    H8     G   5           H8         G   5   5.777  -2.457   2.753
   53    H1     G   5           H1         G   5   1.950  -0.314  -1.923
   54   1H2     G   5          1H2         G   5   4.579  -1.173  -4.017
   55   2H2     G   5          2H2         G   5   2.978  -0.480  -3.875
   56   1H5*    G   6          1H5*        G   6  10.109   0.054  -2.211
   57   2H5*    G   6          2H5*        G   6  10.676   1.734  -2.291
   58    H4*    G   6           H4*        G   6   9.210   1.144  -4.198
   59    H3*    G   6           H3*        G   6   8.113   3.235  -2.236
   60    H2*    G   6           H2*        G   6   6.241   3.456  -3.790
   61   2HO*    G   6          2HO*        G   6   7.342   3.300  -5.752
   62    H1*    G   6           H1*        G   6   5.797   0.771  -4.014
   63    H8     G   6           H8         G   6   7.102   1.118  -0.512
   64    H1     G   6           H1         G   6   1.049   3.136  -1.139
   65   1H2     G   6          1H2         G   6   0.527   3.304  -3.283
   66   2H2     G   6          2H2         G   6   1.686   2.946  -4.544
   67   1H5*    C   7          2H5*        C   7   8.186   4.831  -6.329
   68   2H5*    C   7          1H5*        C   7   8.469   6.583  -6.366
   69    H4*    C   7           H4*        C   7   6.344   5.893  -7.482
   70    H3*    C   7           H3*        C   7   6.122   7.694  -5.006
   71    H2*    C   7           H2*        C   7   3.718   7.738  -5.459
   72   2HO*    C   7          2HO*        C   7   4.445   7.486  -7.919
   73    H1*    C   7           H1*        C   7   3.473   5.037  -5.768
   74   1H4     C   7          1H4         C   7   2.897   5.781   0.506
   75   2H4     C   7          2H4         C   7   4.634   5.815   0.713
   76    H5     C   7           H5         C   7   6.187   5.699  -1.197
   77    H6     C   7           H6         C   7   6.334   5.638  -3.631
   78   1H5*   +U   8          1H5*       +U   8   3.878   9.061  -8.084
   79   2H5*   +U   8          2H5*       +U   8   3.611  10.802  -8.295
   80    H4*   +U   8           H4*       +U   8   1.542   9.405  -7.803
   81    H3*   +U   8           H3*       +U   8   2.284  11.751  -5.973
   82    H2*   +U   8           H2*       +U   8   0.234  11.272  -4.761
   83    H1*   +U   8           H1*       +U   8   0.610   8.551  -4.645
   84    H3    +U   8           H3        +U   8   1.530  10.485  -0.558
   85    H5    +U   8           H5        +U   8   5.182  10.390  -2.657
   86    H6    +U   8           H6        +U   8   3.935   9.755  -4.646
   87   1H5*    G   9          2H5*        G   9  -1.659  11.668  -6.908
   88   2H5*    G   9          1H5*        G   9  -1.873  12.515  -8.451
   89    H4*    G   9           H4*        G   9  -3.953  12.305  -7.035
   90    H3*    G   9           H3*        G   9  -3.440  14.460  -8.647
   91    H2*    G   9           H2*        G   9  -2.087  15.604  -6.908
   92   2HO*    G   9          2HO*        G   9  -4.805  16.504  -6.818
   93    H1*    G   9           H1*        G   9  -4.451  15.038  -5.043
   94    H8     G   9           H8         G   9  -0.628  15.697  -5.344
   95    H1     G   9           H1         G   9  -3.101  16.259   0.546
   96   1H2     G   9          1H2         G   9  -6.023  15.102  -0.938
   97   2H2     G   9          2H2         G   9  -5.246  15.690   0.515
   98   1H5*    U  10          2H5*        U  10  -8.275  12.170  -6.357
   99   2H5*    U  10          1H5*        U  10  -7.485  13.396  -5.347
  100    H4*    U  10           H4*        U  10  -8.298  11.370  -4.101
  101    H3*    U  10           H3*        U  10  -5.907  12.695  -3.529
  102    H2*    U  10           H2*        U  10  -4.531  11.131  -4.832
  103   2HO*    U  10          2HO*        U  10  -4.828   9.986  -2.218
  104    H1*    U  10           H1*        U  10  -6.255   8.914  -3.606
  105    H3     U  10           H3         U  10  -4.211   5.564  -5.748
  106    H5     U  10           H5         U  10  -3.643   8.797  -8.396
  107    H6     U  10           H6         U  10  -4.851  10.202  -6.821
  108   1H5*    U  11          2H5*        U  11  -5.544  10.105   0.332
  109   2H5*    U  11          1H5*        U  11  -6.329  11.176   1.508
  110    H4*    U  11           H4*        U  11  -4.129  10.438   2.316
  111    H3*    U  11           H3*        U  11  -4.888  13.086   2.504
  112    H2*    U  11           H2*        U  11  -3.889  13.630   0.300
  113   2HO*    U  11          2HO*        U  11  -1.930  14.128   2.331
  114    H1*    U  11           H1*        U  11  -1.453  12.111   1.365
  115    H3     U  11           H3         U  11   1.083  13.208  -2.152
  116    H5     U  11           H5         U  11  -2.660  12.457  -3.927
  117    H6     U  11           H6         U  11  -3.562  12.096  -1.698
  118   1H5*    C  12          1H5*        C  12  -5.256  10.854   3.869
  119   2H5*    C  12          2H5*        C  12  -5.753  10.410   5.512
  120    H4*    C  12           H4*        C  12  -5.323   8.443   4.044
  121    H3*    C  12           H3*        C  12  -4.612   8.457   6.686
  122    H2*    C  12           H2*        C  12  -2.442   9.589   6.122
  123   2HO*    C  12          2HO*        C  12  -1.858   6.794   6.260
  124    H1*    C  12           H1*        C  12  -2.196   7.274   4.147
  125   1H4     C  12          1H4         C  12   3.386  10.013   2.909
  126   2H4     C  12          2H4         C  12   2.577  11.419   2.257
  127    H5     C  12           H5         C  12   0.141  11.719   2.410
  128    H6     C  12           H6         C  12  -1.940  10.714   3.178
  129   1H5*    G  13          2H5*        G  13  -7.077   7.670   3.529
  130   2H5*    G  13          1H5*        G  13  -7.513   6.188   2.659
  131    H4*    G  13           H4*        G  13  -6.963   8.331   1.288
  132    H3*    G  13           H3*        G  13  -5.653   5.625   0.663
  133    H2*    G  13           H2*        G  13  -4.636   6.761  -1.238
  134   2HO*    G  13          2HO*        G  13  -6.667   7.994  -1.621
  135    H1*    G  13           H1*        G  13  -3.901   9.016   0.192
  136    H8     G  13           H8         G  13  -3.156   6.630   2.782
  137    H1     G  13           H1         G  13   0.789   5.879  -2.208
  138   1H2     G  13          1H2         G  13  -1.557   7.777  -3.918
  139   2H2     G  13          2H2         G  13  -0.083   6.837  -4.001
  140   1H5*    C  14          1H5*        C  14  -7.195   2.313  -1.159
  141   2H5*    C  14          2H5*        C  14  -5.580   2.469  -0.442
  142    H4*    C  14           H4*        C  14  -6.725   4.017  -2.787
  143    H3*    C  14           H3*        C  14  -4.583   1.883  -2.501
  144    H2*    C  14           H2*        C  14  -3.110   3.092  -4.005
  145   2HO*    C  14          2HO*        C  14  -5.361   4.816  -4.423
  146    H1*    C  14           H1*        C  14  -3.310   5.498  -2.822
  147   1H4     C  14          1H4         C  14   0.649   2.001   0.863
  148   2H4     C  14          2H4         C  14  -0.506   2.234   2.156
  149    H5     C  14           H5         C  14  -2.693   3.296   1.793
  150    H6     C  14           H6         C  14  -4.181   4.240   0.118
  151   1H5*    C  15          2H5*        C  15  -4.511   1.999  -6.655
  152   2H5*    C  15          1H5*        C  15  -4.787   0.357  -7.273
  153    H4*    C  15           H4*        C  15  -2.604   1.217  -7.999
  154    H3*    C  15           H3*        C  15  -2.501  -1.081  -5.969
  155    H2*    C  15           H2*        C  15  -0.070  -1.016  -6.265
  156   2HO*    C  15          2HO*        C  15  -0.371  -0.428  -8.605
  157    H1*    C  15           H1*        C  15   0.132   1.658  -5.845
  158   1H4     C  15          1H4         C  15  -1.786  -0.745   0.032
  159   2H4     C  15          2H4         C  15  -0.035  -0.772   0.029
  160    H5     C  15           H5         C  15  -3.089   0.008  -1.917
  161    H6     C  15           H6         C  15  -2.943   0.721  -4.243
  162   1H5*    A  16          1H5*        A  16   0.198  -2.196  -8.931
  163   2H5*    A  16          2H5*        A  16   0.034  -3.921  -9.317
  164    H4*    A  16           H4*        A  16   2.307  -3.359  -8.533
  165    H3*    A  16           H3*        A  16   0.684  -5.126  -6.611
  166    H2*    A  16           H2*        A  16   2.798  -5.322  -5.388
  167   2HO*    A  16          2HO*        A  16   4.109  -5.415  -7.332
  168    H1*    A  16           H1*        A  16   3.309  -2.624  -5.434
  169    H8     A  16           H8         A  16  -0.414  -2.702  -5.203
  170   1H6     A  16          1H6         A  16  -0.895  -3.582  -0.440
  171   2H6     A  16          2H6         A  16   0.251  -3.955   0.829
  172    H2     A  16           H2         A  16   4.221  -4.502  -1.136
  173   1H5*    G  17          2H5*        G  17   4.371  -7.317  -7.763
  174   2H5*    G  17          1H5*        G  17   3.978  -9.039  -7.935
  175    H4*    G  17           H4*        G  17   5.856  -8.634  -6.362
  176    H3*    G  17           H3*        G  17   3.292  -9.774  -5.108
  177    H2*    G  17           H2*        G  17   4.647  -9.987  -3.079
  178   2HO*    G  17          2HO*        G  17   6.576 -10.582  -4.407
  179    H1*    G  17           H1*        G  17   5.677  -7.445  -3.239
  180    H8     G  17           H8         G  17   2.251  -6.942  -4.608
  181    H1     G  17           H1         G  17   2.241  -7.891   1.731
  182   1H2     G  17          1H2         G  17   4.207  -8.673   2.380
  183   2H2     G  17          2H2         G  17   5.499  -8.978   1.242
  184   1H5*    C  18          2H5*        C  18   6.430 -12.303  -3.829
  185   2H5*    C  18          1H5*        C  18   5.913 -14.001  -3.887
  186    H4*    C  18           H4*        C  18   6.630 -13.319  -1.619
  187    H3*    C  18           H3*        C  18   3.658 -14.004  -1.954
  188    H2*    C  18           H2*        C  18   3.479 -13.688   0.461
  189   2HO*    C  18          2HO*        C  18   5.754 -14.642   0.657
  190    H1*    C  18           H1*        C  18   4.834 -11.311   0.505
  191   1H4     C  18          1H4         C  18  -0.941  -9.779  -2.349
  192   2H4     C  18          2H4         C  18  -1.192  -9.637  -0.622
  193    H5     C  18           H5         C  18   1.178 -10.589  -3.307
  194    H6     C  18           H6         C  18   3.384 -11.475  -2.770
  195   1H5*    C  19          2H5*        C  19   4.958 -16.353   1.335
  196   2H5*    C  19          1H5*        C  19   4.222 -17.969   1.286
  197    H4*    C  19           H4*        C  19   3.617 -16.744   3.343
  198    H3*    C  19           H3*        C  19   1.314 -17.168   1.371
  199    H2*    C  19           H2*        C  19  -0.113 -16.308   3.141
  200   2HO*    C  19          2HO*        C  19   1.560 -17.344   4.756
  201    H1*    C  19           H1*        C  19   1.482 -14.126   3.585
  202   1H4     C  19          1H4         C  19  -1.321 -12.982  -2.313
  203   2H4     C  19          2H4         C  19  -2.350 -12.240  -1.107
  204    H5     C  19           H5         C  19   0.693 -14.270  -1.709
  205    H6     C  19           H6         C  19   1.987 -15.164   0.156
  206    H3T    C  19           H3T        C  19   0.907 -18.884   2.788
  207   1HC   CH3   8          1HC       CH3   8  -1.288   9.726  -4.269
  208   2HC   CH3   8          2HC       CH3   8  -2.157   8.823  -5.512
  209   3HC   CH3   8          3HC       CH3   8  -2.446  10.553  -5.313
  Start of MODEL    4
    1   1H5*    G   1          2H5*        G   1  -9.688  -9.176   3.994
    2   2H5*    G   1          1H5*        G   1  -8.845 -10.025   2.683
    3    H4*    G   1           H4*        G   1  -9.567 -11.237   5.376
    4    H3*    G   1           H3*        G   1  -6.935 -10.065   4.336
    5    H2*    G   1           H2*        G   1  -5.797 -11.848   5.566
    6   2HO*    G   1          2HO*        G   1  -7.390 -11.755   7.343
    7    H1*    G   1           H1*        G   1  -7.294 -13.851   4.536
    8    H8     G   1           H8         G   1  -7.650 -11.598   1.667
    9    H1     G   1           H1         G   1  -1.609 -13.658   2.244
   10   1H2     G   1          1H2         G   1  -1.306 -14.560   4.240
   11   2H2     G   1          2H2         G   1  -2.594 -14.641   5.421
   12    H5T    G   1           H5T        G   1 -10.637 -11.601   2.880
   13   1H5*    G   2          2H5*        G   2  -6.137 -10.745   8.439
   14   2H5*    G   2          1H5*        G   2  -5.418  -9.285   9.150
   15    H4*    G   2           H4*        G   2  -3.974 -11.258   9.464
   16    H3*    G   2           H3*        G   2  -2.885  -9.089   7.588
   17    H2*    G   2           H2*        G   2  -0.850 -10.440   7.474
   18   2HO*    G   2          2HO*        G   2  -1.099 -11.057   9.794
   19    H1*    G   2           H1*        G   2  -2.145 -12.784   6.957
   20    H8     G   2           H8         G   2  -4.454 -10.344   5.348
   21    H1     G   2           H1         G   2   0.966 -11.141   2.022
   22   1H2     G   2          1H2         G   2   2.123 -12.688   4.903
   23   2H2     G   2          2H2         G   2   2.467 -12.191   3.261
   24   1H5*    C   3          2H5*        C   3   0.332  -9.783  10.225
   25   2H5*    C   3          1H5*        C   3   1.044  -8.233  10.718
   26    H4*    C   3           H4*        C   3   2.693  -9.681   9.590
   27    H3*    C   3           H3*        C   3   1.890  -7.148   8.054
   28    H2*    C   3           H2*        C   3   3.623  -7.792   6.454
   29   2HO*    C   3          2HO*        C   3   5.031  -8.605   8.219
   30    H1*    C   3           H1*        C   3   2.792 -10.392   6.250
   31   1H4     C   3          1H4         C   3  -1.920  -6.916   3.146
   32   2H4     C   3          2H4         C   3  -0.703  -7.291   1.945
   33    H5     C   3           H5         C   3  -1.657  -7.529   5.519
   34    H6     C   3           H6         C   3  -0.139  -8.517   7.153
   35   1H5*    U   4          2H5*        U   4   6.236  -7.175   8.262
   36   2H5*    U   4          1H5*        U   4   6.801  -5.514   8.532
   37    H4*    U   4           H4*        U   4   7.772  -6.512   6.486
   38    H3*    U   4           H3*        U   4   5.827  -4.180   6.016
   39    H2*    U   4           H2*        U   4   6.532  -4.346   3.679
   40   2HO*    U   4          2HO*        U   4   8.368  -5.303   3.126
   41    H1*    U   4           H1*        U   4   6.212  -7.069   3.552
   42    H3     U   4           H3         U   4   2.569  -5.264   1.479
   43    H5     U   4           H5         U   4   1.649  -5.097   5.587
   44    H6     U   4           H6         U   4   3.930  -5.795   6.050
   45   1H5*    G   5          1H5*        G   5   9.334  -3.751   3.885
   46   2H5*    G   5          2H5*        G   5   9.938  -2.089   3.737
   47    H4*    G   5           H4*        G   5   9.537  -3.210   1.539
   48    H3*    G   5           H3*        G   5   7.773  -0.766   2.151
   49    H2*    G   5           H2*        G   5   7.059  -1.002  -0.178
   50   2HO*    G   5          2HO*        G   5   9.295  -1.616  -0.831
   51    H1*    G   5           H1*        G   5   6.697  -3.739  -0.011
   52    H8     G   5           H8         G   5   5.486  -2.792   3.326
   53    H1     G   5           H1         G   5   1.541  -0.711  -1.279
   54   1H2     G   5          1H2         G   5   2.563  -0.792  -3.239
   55   2H2     G   5          2H2         G   5   4.194  -1.402  -3.404
   56   1H5*    G   6          1H5*        G   6   9.554  -0.121  -1.693
   57   2H5*    G   6          2H5*        G   6  10.143   1.551  -1.783
   58    H4*    G   6           H4*        G   6   8.606   0.996  -3.643
   59    H3*    G   6           H3*        G   6   7.596   3.081  -1.631
   60    H2*    G   6           H2*        G   6   5.676   3.332  -3.102
   61   2HO*    G   6          2HO*        G   6   6.151   3.182  -5.163
   62    H1*    G   6           H1*        G   6   5.267   0.634  -3.477
   63    H8     G   6           H8         G   6   6.434   0.926   0.083
   64    H1     G   6           H1         G   6   0.336   2.745  -0.724
   65   1H2     G   6          1H2         G   6  -0.122   2.907  -2.886
   66   2H2     G   6          2H2         G   6   1.113   2.691  -4.106
   67   1H5*    C   7          1H5*        C   7   7.537   4.362  -5.904
   68   2H5*    C   7          2H5*        C   7   7.861   6.101  -6.068
   69    H4*    C   7           H4*        C   7   5.783   5.392  -7.236
   70    H3*    C   7           H3*        C   7   5.494   7.337  -4.887
   71    H2*    C   7           H2*        C   7   3.107   7.372  -5.361
   72   2HO*    C   7          2HO*        C   7   2.466   7.070  -7.355
   73    H1*    C   7           H1*        C   7   2.818   4.667  -5.558
   74   1H4     C   7          1H4         C   7   2.157   5.661   0.663
   75   2H4     C   7          2H4         C   7   3.888   5.785   0.889
   76    H5     C   7           H5         C   7   5.469   5.698  -0.996
   77    H6     C   7           H6         C   7   5.655   5.511  -3.420
   78   1H5*   +U   8          1H5*       +U   8   3.276   8.219  -8.482
   79   2H5*   +U   8          2H5*       +U   8   3.226   9.944  -8.900
   80    H4*   +U   8           H4*       +U   8   0.976   8.869  -8.889
   81    H3*   +U   8           H3*       +U   8   1.479  11.075  -6.815
   82    H2*   +U   8           H2*       +U   8  -0.881  10.838  -6.247
   83    H1*   +U   8           H1*       +U   8  -0.821   8.096  -6.109
   84    H3    +U   8           H3        +U   8  -0.767   9.559  -1.785
   85    H5    +U   8           H5        +U   8   3.255   9.709  -3.036
   86    H6    +U   8           H6        +U   8   2.489   9.263  -5.300
   87   1H5*    G   9          1H5*        G   9  -0.819  12.933  -6.666
   88   2H5*    G   9          2H5*        G   9  -1.966  12.302  -7.864
   89    H4*    G   9           H4*        G   9  -3.019  13.950  -6.370
   90    H3*    G   9           H3*        G   9  -3.413  14.030  -9.127
   91    H2*    G   9           H2*        G   9  -1.652  15.730  -9.463
   92   2HO*    G   9          2HO*        G   9  -2.931  17.753  -9.605
   93    H1*    G   9           H1*        G   9  -2.882  17.099  -7.012
   94    H8     G   9           H8         G   9   0.716  16.240  -8.282
   95    H1     G   9           H1         G   9  -0.421  22.407  -6.931
   96   1H2     G   9          1H2         G   9  -2.551  22.673  -6.377
   97   2H2     G   9          2H2         G   9  -3.649  21.316  -6.256
   98   1H5*    U  10          1H5*        U  10  -4.912  12.921  -6.512
   99   2H5*    U  10          2H5*        U  10  -6.481  12.095  -6.440
  100    H4*    U  10           H4*        U  10  -5.519  12.420  -4.196
  101    H3*    U  10           H3*        U  10  -8.187  12.908  -4.661
  102    H2*    U  10           H2*        U  10  -7.774  15.276  -5.279
  103   2HO*    U  10          2HO*        U  10  -8.400  15.088  -2.489
  104    H1*    U  10           H1*        U  10  -6.107  15.382  -2.706
  105    H3     U  10           H3         U  10  -5.946  19.872  -3.298
  106    H5     U  10           H5         U  10  -4.537  18.332  -6.956
  107    H6     U  10           H6         U  10  -5.099  16.108  -6.149
  108   1H5*    U  11          1H5*        U  11  -5.787  10.242  -0.085
  109   2H5*    U  11          2H5*        U  11  -6.493  11.666   0.699
  110    H4*    U  11           H4*        U  11  -4.250  10.981   1.605
  111    H3*    U  11           H3*        U  11  -5.069  13.634   1.242
  112    H2*    U  11           H2*        U  11  -3.925  13.819  -0.937
  113   2HO*    U  11          2HO*        U  11  -2.182  14.580   1.198
  114    H1*    U  11           H1*        U  11  -1.635  12.354   0.479
  115    H3     U  11           H3         U  11   1.170  12.754  -2.975
  116    H5     U  11           H5         U  11  -2.528  12.108  -4.886
  117    H6     U  11           H6         U  11  -3.576  12.102  -2.690
  118   1H5*    C  12          1H5*        C  12  -5.531  11.478   3.002
  119   2H5*    C  12          2H5*        C  12  -6.045  11.365   4.696
  120    H4*    C  12           H4*        C  12  -5.622   9.148   3.639
  121    H3*    C  12           H3*        C  12  -4.921   9.679   6.238
  122    H2*    C  12           H2*        C  12  -2.717  10.613   5.478
  123   2HO*    C  12          2HO*        C  12  -2.235   7.879   6.165
  124    H1*    C  12           H1*        C  12  -2.566   7.951   3.986
  125   1H4     C  12          1H4         C  12   3.141  10.136   2.303
  126   2H4     C  12          2H4         C  12   2.395  11.390   1.340
  127    H5     C  12           H5         C  12  -0.021  11.838   1.416
  128    H6     C  12           H6         C  12  -2.147  11.109   2.354
  129   1H5*    G  13          1H5*        G  13  -7.466   8.384   3.379
  130   2H5*    G  13          2H5*        G  13  -7.951   6.781   2.794
  131    H4*    G  13           H4*        G  13  -7.411   8.628   1.053
  132    H3*    G  13           H3*        G  13  -6.132   5.841   0.888
  133    H2*    G  13           H2*        G  13  -5.169   6.617  -1.218
  134   2HO*    G  13          2HO*        G  13  -7.004   8.768  -0.844
  135    H1*    G  13           H1*        G  13  -4.330   9.042  -0.211
  136    H8     G  13           H8         G  13  -3.624   7.142   2.763
  137    H1     G  13           H1         G  13   0.192   5.329  -2.051
  138   1H2     G  13          1H2         G  13  -0.651   6.005  -3.975
  139   2H2     G  13          2H2         G  13  -2.083   7.008  -4.052
  140   1H5*    C  14          2H5*        C  14  -7.795   2.297  -0.453
  141   2H5*    C  14          1H5*        C  14  -6.141   2.477   0.159
  142    H4*    C  14           H4*        C  14  -7.351   3.692  -2.339
  143    H3*    C  14           H3*        C  14  -5.228   1.597  -1.800
  144    H2*    C  14           H2*        C  14  -3.740   2.557  -3.457
  145   2HO*    C  14          2HO*        C  14  -5.965   4.232  -4.127
  146    H1*    C  14           H1*        C  14  -3.878   5.105  -2.636
  147   1H4     C  14          1H4         C  14  -1.266   2.410   2.794
  148   2H4     C  14          2H4         C  14  -0.067   2.047   1.572
  149    H5     C  14           H5         C  14  -3.384   3.546   2.254
  150    H6     C  14           H6         C  14  -4.811   4.311   0.445
  151   1H5*    C  15          1H5*        C  15  -5.064   1.582  -5.910
  152   2H5*    C  15          2H5*        C  15  -5.359  -0.063  -6.511
  153    H4*    C  15           H4*        C  15  -3.196   0.774  -7.299
  154    H3*    C  15           H3*        C  15  -3.034  -1.485  -5.229
  155    H2*    C  15           H2*        C  15  -0.612  -1.422  -5.601
  156   2HO*    C  15          2HO*        C  15  -1.147  -0.756  -7.965
  157    H1*    C  15           H1*        C  15  -0.404   1.263  -5.249
  158   1H4     C  15          1H4         C  15  -0.350  -1.036   0.683
  159   2H4     C  15          2H4         C  15  -2.096  -0.940   0.768
  160    H5     C  15           H5         C  15  -3.461  -0.189  -1.135
  161    H6     C  15           H6         C  15  -3.406   0.432  -3.491
  162   1H5*    A  16          2H5*        A  16  -0.416  -2.320  -8.206
  163   2H5*    A  16          1H5*        A  16  -0.359  -4.025  -8.696
  164    H4*    A  16           H4*        A  16   1.834  -3.181  -7.895
  165    H3*    A  16           H3*        A  16   0.520  -5.331  -6.135
  166    H2*    A  16           H2*        A  16   2.651  -5.323  -4.937
  167   2HO*    A  16          2HO*        A  16   3.856  -5.037  -6.995
  168    H1*    A  16           H1*        A  16   2.817  -2.570  -4.809
  169    H8     A  16           H8         A  16  -0.824  -3.018  -4.375
  170   1H6     A  16          1H6         A  16  -0.953  -4.405   0.282
  171   2H6     A  16          2H6         A  16   0.288  -4.822   1.443
  172    H2     A  16           H2         A  16   4.163  -4.867  -0.773
  173   1H5*    G  17          2H5*        G  17   4.492  -6.709  -7.210
  174   2H5*    G  17          1H5*        G  17   4.413  -8.428  -7.645
  175    H4*    G  17           H4*        G  17   6.102  -8.002  -5.898
  176    H3*    G  17           H3*        G  17   3.653  -9.609  -4.973
  177    H2*    G  17           H2*        G  17   4.885  -9.893  -2.886
  178   2HO*    G  17          2HO*        G  17   7.027  -9.621  -2.779
  179    H1*    G  17           H1*        G  17   5.646  -7.247  -2.701
  180    H8     G  17           H8         G  17   2.213  -7.048  -4.168
  181    H1     G  17           H1         G  17   2.165  -8.506   2.073
  182   1H2     G  17          1H2         G  17   5.553  -9.100   1.629
  183   2H2     G  17          2H2         G  17   4.194  -9.089   2.731
  184   1H5*    C  18          1H5*        C  18   7.129 -11.658  -3.754
  185   2H5*    C  18          2H5*        C  18   6.958 -13.410  -3.986
  186    H4*    C  18           H4*        C  18   7.480 -12.838  -1.641
  187    H3*    C  18           H3*        C  18   4.683 -14.000  -2.138
  188    H2*    C  18           H2*        C  18   4.427 -13.971   0.287
  189   2HO*    C  18          2HO*        C  18   6.863 -14.520   0.406
  190    H1*    C  18           H1*        C  18   5.398 -11.420   0.614
  191   1H4     C  18          1H4         C  18  -0.834 -10.593  -0.256
  192   2H4     C  18          2H4         C  18  -0.624 -10.550  -1.994
  193    H5     C  18           H5         C  18   1.554 -10.969  -3.068
  194    H6     C  18           H6         C  18   3.887 -11.546  -2.657
  195   1H5*    C  19          2H5*        C  19   6.377 -16.323   0.993
  196   2H5*    C  19          1H5*        C  19   5.970 -18.040   0.793
  197    H4*    C  19           H4*        C  19   5.153 -17.159   2.945
  198    H3*    C  19           H3*        C  19   2.941 -17.788   0.923
  199    H2*    C  19           H2*        C  19   1.415 -17.406   2.772
  200   2HO*    C  19          2HO*        C  19   3.059 -18.381   4.308
  201    H1*    C  19           H1*        C  19   2.634 -15.048   3.499
  202   1H4     C  19          1H4         C  19  -0.625 -13.695  -2.117
  203   2H4     C  19          2H4         C  19  -1.664 -13.221  -0.789
  204    H5     C  19           H5         C  19   1.583 -14.731  -1.752
  205    H6     C  19           H6         C  19   3.099 -15.618  -0.059
  206    H3T    C  19           H3T        C  19   4.373 -19.484   1.759
  207   1HC   CH3   8          1HC       CH3   8  -3.470   9.433  -8.129
  208   2HC   CH3   8          2HC       CH3   8  -2.782   8.962  -6.573
  209   3HC   CH3   8          3HC       CH3   8  -2.998  10.671  -6.963
  Start of MODEL    5
    1   1H5*    G   1          2H5*        G   1 -10.556  -9.608   3.373
    2   2H5*    G   1          1H5*        G   1  -9.705  -8.233   4.105
    3    H4*    G   1           H4*        G   1  -9.457 -10.350   5.400
    4    H3*    G   1           H3*        G   1  -6.901  -9.161   4.180
    5    H2*    G   1           H2*        G   1  -5.730 -10.924   5.422
    6   2HO*    G   1          2HO*        G   1  -7.256 -10.765   7.253
    7    H1*    G   1           H1*        G   1  -7.342 -12.926   4.515
    8    H8     G   1           H8         G   1  -7.575 -10.771   1.554
    9    H1     G   1           H1         G   1  -1.662 -13.146   2.218
   10   1H2     G   1          1H2         G   1  -1.409 -13.987   4.248
   11   2H2     G   1          2H2         G   1  -2.702 -13.961   5.426
   12    H5T    G   1           H5T        G   1  -8.851  -9.817   1.909
   13   1H5*    G   2          2H5*        G   2  -6.002  -9.890   8.284
   14   2H5*    G   2          1H5*        G   2  -5.237  -8.446   8.978
   15    H4*    G   2           H4*        G   2  -3.861 -10.462   9.326
   16    H3*    G   2           H3*        G   2  -2.689  -8.368   7.413
   17    H2*    G   2           H2*        G   2  -0.700  -9.786   7.354
   18   2HO*    G   2          2HO*        G   2  -0.944 -10.332   9.674
   19    H1*    G   2           H1*        G   2  -2.074 -12.107   6.903
   20    H8     G   2           H8         G   2  -4.245  -9.632   5.156
   21    H1     G   2           H1         G   2   1.191 -10.800   1.967
   22   1H2     G   2          1H2         G   2   2.220 -12.298   4.922
   23   2H2     G   2          2H2         G   2   2.626 -11.855   3.279
   24   1H5*    C   3          1H5*        C   3   0.467  -8.927  10.196
   25   2H5*    C   3          2H5*        C   3   1.164  -7.349  10.616
   26    H4*    C   3           H4*        C   3   2.844  -8.840   9.604
   27    H3*    C   3           H3*        C   3   2.041  -6.413   7.906
   28    H2*    C   3           H2*        C   3   3.794  -7.134   6.363
   29   2HO*    C   3          2HO*        C   3   5.182  -7.830   8.203
   30    H1*    C   3           H1*        C   3   2.993  -9.750   6.304
   31   1H4     C   3          1H4         C   3  -1.723  -6.494   2.974
   32   2H4     C   3          2H4         C   3  -0.496  -6.935   1.805
   33    H5     C   3           H5         C   3  -1.473  -6.966   5.380
   34    H6     C   3           H6         C   3   0.039  -7.848   7.078
   35   1H5*    U   4          1H5*        U   4   6.347  -6.365   8.108
   36   2H5*    U   4          2H5*        U   4   6.901  -4.690   8.299
   37    H4*    U   4           H4*        U   4   7.860  -5.763   6.289
   38    H3*    U   4           H3*        U   4   5.879  -3.480   5.741
   39    H2*    U   4           H2*        U   4   6.544  -3.743   3.403
   40   2HO*    U   4          2HO*        U   4   8.391  -4.685   2.863
   41    H1*    U   4           H1*        U   4   6.273  -6.475   3.402
   42    H3     U   4           H3         U   4   2.558  -4.896   1.299
   43    H5     U   4           H5         U   4   1.726  -4.408   5.400
   44    H6     U   4           H6         U   4   4.021  -5.056   5.867
   45   1H5*    G   5          1H5*        G   5   9.334  -3.149   3.519
   46   2H5*    G   5          2H5*        G   5   9.944  -1.496   3.302
   47    H4*    G   5           H4*        G   5   9.526  -2.688   1.151
   48    H3*    G   5           H3*        G   5   7.742  -0.240   1.689
   49    H2*    G   5           H2*        G   5   7.022  -0.567  -0.628
   50   2HO*    G   5          2HO*        G   5   9.033  -1.095  -1.537
   51    H1*    G   5           H1*        G   5   6.677  -3.294  -0.357
   52    H8     G   5           H8         G   5   5.507  -2.183   2.958
   53    H1     G   5           H1         G   5   1.473  -0.395  -1.694
   54   1H2     G   5          1H2         G   5   4.094  -1.191  -3.821
   55   2H2     G   5          2H2         G   5   2.453  -0.606  -3.665
   56   1H5*    G   6          2H5*        G   6   9.991   0.446  -1.952
   57   2H5*    G   6          1H5*        G   6  10.367   2.162  -2.206
   58    H4*    G   6           H4*        G   6   9.017   1.143  -4.049
   59    H3*    G   6           H3*        G   6   7.727   3.420  -2.444
   60    H2*    G   6           H2*        G   6   5.885   3.263  -4.039
   61   2HO*    G   6          2HO*        G   6   7.220   2.902  -5.897
   62    H1*    G   6           H1*        G   6   5.671   0.535  -3.903
   63    H8     G   6           H8         G   6   6.698   1.343  -0.417
   64    H1     G   6           H1         G   6   0.644   3.064  -1.644
   65   1H2     G   6          1H2         G   6   1.541   2.623  -4.967
   66   2H2     G   6          2H2         G   6   0.261   2.966  -3.825
   67   1H5*    C   7          2H5*        C   7   7.827   4.543  -6.795
   68   2H5*    C   7          1H5*        C   7   8.054   6.298  -6.938
   69    H4*    C   7           H4*        C   7   6.008   5.475  -8.100
   70    H3*    C   7           H3*        C   7   5.614   7.399  -5.744
   71    H2*    C   7           H2*        C   7   3.227   7.319  -6.278
   72   2HO*    C   7          2HO*        C   7   3.747   7.177  -8.639
   73    H1*    C   7           H1*        C   7   3.092   4.607  -6.380
   74   1H4     C   7          1H4         C   7   2.477   5.826  -0.182
   75   2H4     C   7          2H4         C   7   4.214   5.898   0.026
   76    H5     C   7           H5         C   7   5.773   5.661  -1.867
   77    H6     C   7           H6         C   7   5.925   5.424  -4.288
   78   1H5*   +U   8          1H5*       +U   8   3.325   8.945  -8.846
   79   2H5*   +U   8          2H5*       +U   8   3.116  10.706  -8.764
   80    H4*   +U   8           H4*       +U   8   1.020   9.383  -8.350
   81    H3*   +U   8           H3*       +U   8   2.054  11.278  -6.185
   82    H2*   +U   8           H2*       +U   8   0.185  10.624  -4.806
   83    H1*   +U   8           H1*       +U   8   0.390   7.929  -5.216
   84    H3    +U   8           H3        +U   8   2.204   8.588  -1.108
   85    H5    +U   8           H5        +U   8   5.264   9.686  -3.788
   86    H6    +U   8           H6        +U   8   3.656   9.464  -5.596
   87   1H5*    G   9          1H5*        G   9  -2.246  11.873  -6.885
   88   2H5*    G   9          2H5*        G   9  -2.296  13.250  -8.001
   89    H4*    G   9           H4*        G   9  -4.283  12.991  -6.410
   90    H3*    G   9           H3*        G   9  -3.448  15.381  -7.396
   91    H2*    G   9           H2*        G   9  -1.596  15.553  -5.740
   92   2HO*    G   9          2HO*        G   9  -2.392  17.271  -4.339
   93    H1*    G   9           H1*        G   9  -3.747  15.044  -3.623
   94    H8     G   9           H8         G   9  -0.244  13.529  -4.426
   95    H1     G   9           H1         G   9  -0.875  16.265   1.337
   96   1H2     G   9          1H2         G   9  -2.871  17.212   1.504
   97   2H2     G   9          2H2         G   9  -4.047  17.120   0.214
   98   1H5*    U  10          1H5*        U  10  -6.114  12.857  -5.144
   99   2H5*    U  10          2H5*        U  10  -7.829  12.522  -5.451
  100    H4*    U  10           H4*        U  10  -7.213  12.285  -3.062
  101    H3*    U  10           H3*        U  10  -9.578  13.474  -3.819
  102    H2*    U  10           H2*        U  10  -8.542  15.729  -3.928
  103   2HO*    U  10          2HO*        U  10  -9.727  15.278  -1.360
  104    H1*    U  10           H1*        U  10  -7.393  15.026  -1.172
  105    H3     U  10           H3         U  10  -6.051  19.317  -0.773
  106    H5     U  10           H5         U  10  -4.563  18.175  -4.544
  107    H6     U  10           H6         U  10  -5.746  16.067  -4.287
  108   1H5*    U  11          1H5*        U  11  -7.383   9.764   0.136
  109   2H5*    U  11          2H5*        U  11  -7.606  11.398   0.794
  110    H4*    U  11           H4*        U  11  -5.284  10.539   1.051
  111    H3*    U  11           H3*        U  11  -5.883  13.158   0.246
  112    H2*    U  11           H2*        U  11  -5.468  12.752  -2.119
  113   2HO*    U  11          2HO*        U  11  -4.010  14.355  -1.626
  114    H1*    U  11           H1*        U  11  -3.098  11.011  -1.296
  115    H3     U  11           H3         U  11  -2.120  10.259  -5.616
  116    H5     U  11           H5         U  11  -6.321   9.950  -5.536
  117    H6     U  11           H6         U  11  -6.246  10.544  -3.183
  118   1H5*    C  12          2H5*        C  12  -5.721  11.776   2.650
  119   2H5*    C  12          1H5*        C  12  -5.598  11.924   4.413
  120    H4*    C  12           H4*        C  12  -5.299   9.590   3.599
  121    H3*    C  12           H3*        C  12  -3.783  10.620   5.651
  122    H2*    C  12           H2*        C  12  -2.119  11.523   4.006
  123   2HO*    C  12          2HO*        C  12  -1.114   8.980   4.844
  124    H1*    C  12           H1*        C  12  -2.222   8.656   2.955
  125   1H4     C  12          1H4         C  12   2.275  11.016  -0.903
  126   2H4     C  12          2H4         C  12   1.040  11.893  -1.777
  127    H5     C  12           H5         C  12  -1.282  12.029  -0.979
  128    H6     C  12           H6         C  12  -2.824  11.333   0.762
  129   1H5*    G  13          1H5*        G  13  -6.867   8.283   3.610
  130   2H5*    G  13          2H5*        G  13  -7.077   6.525   3.497
  131    H4*    G  13           H4*        G  13  -7.291   7.954   1.338
  132    H3*    G  13           H3*        G  13  -5.452   5.491   1.418
  133    H2*    G  13           H2*        G  13  -5.236   5.894  -0.998
  134   2HO*    G  13          2HO*        G  13  -7.025   8.091  -0.708
  135    H1*    G  13           H1*        G  13  -4.704   8.577  -0.684
  136    H8     G  13           H8         G  13  -3.140   7.216   2.360
  137    H1     G  13           H1         G  13   0.147   5.614  -2.900
  138   1H2     G  13          1H2         G  13  -2.684   6.688  -4.594
  139   2H2     G  13          2H2         G  13  -1.053   6.068  -4.702
  140   1H5*    C  14          2H5*        C  14  -7.562   5.044  -2.078
  141   2H5*    C  14          1H5*        C  14  -8.185   3.387  -2.214
  142    H4*    C  14           H4*        C  14  -6.756   3.975  -4.133
  143    H3*    C  14           H3*        C  14  -5.623   1.843  -2.239
  144    H2*    C  14           H2*        C  14  -3.779   1.643  -3.820
  145   2HO*    C  14          2HO*        C  14  -4.170   2.024  -5.860
  146    H1*    C  14           H1*        C  14  -3.344   4.333  -4.051
  147   1H4     C  14          1H4         C  14  -1.191   2.728   2.015
  148   2H4     C  14          2H4         C  14   0.178   2.567   0.937
  149    H5     C  14           H5         C  14  -3.445   3.306   1.205
  150    H6     C  14           H6         C  14  -4.781   3.756  -0.787
  151   1H5*    C  15          1H5*        C  15  -5.523   0.723  -6.412
  152   2H5*    C  15          2H5*        C  15  -5.641  -1.026  -6.693
  153    H4*    C  15           H4*        C  15  -3.569  -0.002  -7.639
  154    H3*    C  15           H3*        C  15  -3.209  -2.083  -5.410
  155    H2*    C  15           H2*        C  15  -0.804  -1.857  -5.853
  156   2HO*    C  15          2HO*        C  15  -1.346  -1.472  -8.228
  157    H1*    C  15           H1*        C  15  -0.817   0.855  -5.697
  158   1H4     C  15          1H4         C  15  -2.123  -1.169   0.489
  159   2H4     C  15          2H4         C  15  -0.400  -0.867   0.398
  160    H5     C  15           H5         C  15  -3.603  -0.932  -1.462
  161    H6     C  15           H6         C  15  -3.672  -0.461  -3.852
  162   1H5*    A  16          1H5*        A  16  -0.549  -2.987  -8.483
  163   2H5*    A  16          2H5*        A  16  -0.427  -4.732  -8.781
  164    H4*    A  16           H4*        A  16   1.758  -3.701  -8.219
  165    H3*    A  16           H3*        A  16   0.660  -5.699  -6.158
  166    H2*    A  16           H2*        A  16   2.850  -5.444  -5.085
  167   2HO*    A  16          2HO*        A  16   3.934  -5.262  -7.223
  168    H1*    A  16           H1*        A  16   2.792  -2.710  -5.154
  169    H8     A  16           H8         A  16  -0.830  -3.491  -4.769
  170   1H6     A  16          1H6         A  16  -0.945  -4.471  -0.003
  171   2H6     A  16          2H6         A  16   0.300  -4.613   1.218
  172    H2     A  16           H2         A  16   4.220  -4.400  -0.906
  173   1H5*    G  17          2H5*        G  17   4.692  -7.071  -7.325
  174   2H5*    G  17          1H5*        G  17   4.600  -8.826  -7.576
  175    H4*    G  17           H4*        G  17   6.411  -8.207  -6.014
  176    H3*    G  17           H3*        G  17   4.069  -9.749  -4.757
  177    H2*    G  17           H2*        G  17   5.461  -9.812  -2.748
  178   2HO*    G  17          2HO*        G  17   7.436 -10.083  -4.133
  179    H1*    G  17           H1*        G  17   6.125  -7.144  -2.850
  180    H8     G  17           H8         G  17   2.648  -7.074  -4.158
  181    H1     G  17           H1         G  17   2.857  -8.220   2.144
  182   1H2     G  17          1H2         G  17   6.224  -8.840   1.589
  183   2H2     G  17          2H2         G  17   4.918  -8.749   2.748
  184   1H5*    C  18          1H5*        C  18   7.445 -12.030  -3.595
  185   2H5*    C  18          2H5*        C  18   7.070 -13.754  -3.792
  186    H4*    C  18           H4*        C  18   7.660 -13.212  -1.461
  187    H3*    C  18           H3*        C  18   4.741 -14.029  -1.937
  188    H2*    C  18           H2*        C  18   4.485 -13.912   0.487
  189   2HO*    C  18          2HO*        C  18   6.846 -14.731   0.631
  190    H1*    C  18           H1*        C  18   5.720 -11.479   0.753
  191   1H4     C  18          1H4         C  18  -0.368 -10.032  -0.348
  192   2H4     C  18          2H4         C  18  -0.092 -10.038  -2.077
  193    H5     C  18           H5         C  18   2.062 -10.716  -3.063
  194    H6     C  18           H6         C  18   4.309 -11.520  -2.556
  195   1H5*    C  19          2H5*        C  19   6.089 -16.513   1.217
  196   2H5*    C  19          1H5*        C  19   5.494 -18.174   1.016
  197    H4*    C  19           H4*        C  19   4.739 -17.196   3.146
  198    H3*    C  19           H3*        C  19   2.511 -17.576   1.081
  199    H2*    C  19           H2*        C  19   1.002 -17.010   2.897
  200   2HO*    C  19          2HO*        C  19   2.475 -18.153   4.478
  201    H1*    C  19           H1*        C  19   2.460 -14.798   3.631
  202   1H4     C  19          1H4         C  19  -0.454 -13.116  -2.082
  203   2H4     C  19          2H4         C  19  -1.528 -12.609  -0.795
  204    H5     C  19           H5         C  19   1.625 -14.368  -1.645
  205    H6     C  19           H6         C  19   2.989 -15.397   0.097
  206    H3T    C  19           H3T        C  19   3.722 -19.420   1.959
  207   1HC   CH3   8          1HC       CH3   8  -1.880   8.478  -7.678
  208   2HC   CH3   8          2HC       CH3   8  -1.361   7.769  -6.149
  209   3HC   CH3   8          3HC       CH3   8  -0.167   8.197  -7.375
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1 -10.394  -9.975   2.958
    2   2H5*    G   1          2H5*        G   1  -9.630  -8.565   3.720
    3    H4*    G   1           H4*        G   1  -9.477 -10.585   5.138
    4    H3*    G   1           H3*        G   1  -6.847  -9.459   4.041
    5    H2*    G   1           H2*        G   1  -5.713 -11.213   5.315
    6   2HO*    G   1          2HO*        G   1  -7.252 -11.083   7.111
    7    H1*    G   1           H1*        G   1  -7.227 -13.232   4.343
    8    H8     G   1           H8         G   1  -7.581 -11.012   1.437
    9    H1     G   1           H1         G   1  -1.565 -13.151   2.003
   10   1H2     G   1          1H2         G   1  -1.265 -14.039   4.006
   11   2H2     G   1          2H2         G   1  -2.548 -14.092   5.194
   12    H5T    G   1           H5T        G   1  -7.746  -9.096   2.422
   13   1H5*    G   2          2H5*        G   2  -6.061 -10.069   8.139
   14   2H5*    G   2          1H5*        G   2  -5.298  -8.624   8.835
   15    H4*    G   2           H4*        G   2  -3.921 -10.646   9.169
   16    H3*    G   2           H3*        G   2  -2.750  -8.523   7.288
   17    H2*    G   2           H2*        G   2  -0.756  -9.938   7.214
   18   2HO*    G   2          2HO*        G   2  -1.036 -10.529   9.529
   19    H1*    G   2           H1*        G   2  -2.122 -12.243   6.698
   20    H8     G   2           H8         G   2  -4.317  -9.729   5.039
   21    H1     G   2           H1         G   2   1.110 -10.766   1.789
   22   1H2     G   2          1H2         G   2   2.165 -12.338   4.697
   23   2H2     G   2          2H2         G   2   2.553 -11.864   3.058
   24   1H5*    C   3          2H5*        C   3   0.396  -9.256  10.035
   25   2H5*    C   3          1H5*        C   3   1.144  -7.716  10.507
   26    H4*    C   3           H4*        C   3   2.775  -9.241   9.460
   27    H3*    C   3           H3*        C   3   2.087  -6.728   7.837
   28    H2*    C   3           H2*        C   3   3.839  -7.468   6.297
   29   2HO*    C   3          2HO*        C   3   5.144  -8.299   8.161
   30    H1*    C   3           H1*        C   3   2.922 -10.038   6.129
   31   1H4     C   3          1H4         C   3  -1.600  -6.436   2.884
   32   2H4     C   3          2H4         C   3  -0.381  -6.888   1.712
   33    H5     C   3           H5         C   3  -1.419  -7.049   5.266
   34    H6     C   3           H6         C   3   0.030  -8.068   6.942
   35   1H5*    U   4          1H5*        U   4   6.362  -6.923   8.057
   36   2H5*    U   4          2H5*        U   4   7.025  -5.294   8.299
   37    H4*    U   4           H4*        U   4   7.925  -6.371   6.264
   38    H3*    U   4           H3*        U   4   6.104  -3.946   5.768
   39    H2*    U   4           H2*        U   4   6.786  -4.185   3.428
   40   2HO*    U   4          2HO*        U   4   9.005  -4.859   4.141
   41    H1*    U   4           H1*        U   4   6.302  -6.884   3.344
   42    H3     U   4           H3         U   4   2.721  -4.943   1.300
   43    H5     U   4           H5         U   4   1.899  -4.604   5.418
   44    H6     U   4           H6         U   4   4.145  -5.420   5.858
   45   1H5*    G   5          1H5*        G   5   9.628  -3.352   3.519
   46   2H5*    G   5          2H5*        G   5  10.171  -1.668   3.657
   47    H4*    G   5           H4*        G   5   9.828  -2.347   1.303
   48    H3*    G   5           H3*        G   5   7.822  -0.259   2.337
   49    H2*    G   5           H2*        G   5   7.117  -0.127   0.011
   50   2HO*    G   5          2HO*        G   5   8.587  -0.401  -1.478
   51    H1*    G   5           H1*        G   5   7.159  -2.880  -0.398
   52    H8     G   5           H8         G   5   5.750  -2.436   3.040
   53    H1     G   5           H1         G   5   1.572  -0.889  -1.573
   54   1H2     G   5          1H2         G   5   2.617  -0.755  -3.520
   55   2H2     G   5          2H2         G   5   4.343  -1.001  -3.658
   56   1H5*    G   6          1H5*        G   6   9.947   0.913  -1.267
   57   2H5*    G   6          2H5*        G   6  10.264   2.659  -1.330
   58    H4*    G   6           H4*        G   6   9.090   1.797  -3.355
   59    H3*    G   6           H3*        G   6   7.518   3.782  -1.612
   60    H2*    G   6           H2*        G   6   5.859   3.718  -3.396
   61   2HO*    G   6          2HO*        G   6   6.433   3.265  -5.390
   62    H1*    G   6           H1*        G   6   5.921   0.968  -3.687
   63    H8     G   6           H8         G   6   6.284   1.549   0.007
   64    H1     G   6           H1         G   6   0.308   2.479  -2.114
   65   1H2     G   6          1H2         G   6   0.297   2.585  -4.322
   66   2H2     G   6          2H2         G   6   1.759   2.394  -5.262
   67   1H5*    C   7          2H5*        C   7   7.398   4.908  -5.727
   68   2H5*    C   7          1H5*        C   7   7.495   6.670  -5.925
   69    H4*    C   7           H4*        C   7   5.473   5.696  -6.990
   70    H3*    C   7           H3*        C   7   5.029   7.605  -4.632
   71    H2*    C   7           H2*        C   7   2.645   7.339  -5.038
   72   2HO*    C   7          2HO*        C   7   2.135   7.164  -7.087
   73    H1*    C   7           H1*        C   7   2.699   4.613  -5.282
   74   1H4     C   7          1H4         C   7   1.868   5.484   0.944
   75   2H4     C   7          2H4         C   7   3.583   5.728   1.190
   76    H5     C   7           H5         C   7   5.183   5.820  -0.682
   77    H6     C   7           H6         C   7   5.404   5.706  -3.109
   78   1H5*   +U   8          1H5*       +U   8   2.426  10.299  -8.391
   79   2H5*   +U   8          2H5*       +U   8   2.834   8.599  -8.079
   80    H4*   +U   8           H4*       +U   8   0.445   8.754  -8.103
   81    H3*   +U   8           H3*       +U   8   0.782  11.167  -6.247
   82    H2*   +U   8           H2*       +U   8  -1.304  10.508  -5.182
   83    H1*   +U   8           H1*       +U   8  -0.671   7.869  -4.914
   84    H3    +U   8           H3        +U   8  -0.073  10.086  -0.912
   85    H5    +U   8           H5        +U   8   3.674  10.078  -2.839
   86    H6    +U   8           H6        +U   8   2.552   9.297  -4.848
   87   1H5*    G   9          2H5*        G   9  -2.909  11.698  -6.325
   88   2H5*    G   9          1H5*        G   9  -3.256  12.426  -7.906
   89    H4*    G   9           H4*        G   9  -4.772  13.164  -6.031
   90    H3*    G   9           H3*        G   9  -3.917  14.815  -8.090
   91    H2*    G   9           H2*        G   9  -1.983  15.661  -6.815
   92   2HO*    G   9          2HO*        G   9  -4.270  17.318  -6.354
   93    H1*    G   9           H1*        G   9  -3.939  15.931  -4.470
   94    H8     G   9           H8         G   9  -0.236  15.205  -5.498
   95    H1     G   9           H1         G   9  -1.100  17.750   0.323
   96   1H2     G   9          1H2         G   9  -4.478  17.485  -0.427
   97   2H2     G   9          2H2         G   9  -3.266  17.944   0.745
   98   1H5*    U  10          2H5*        U  10  -8.838  13.474  -6.062
   99   2H5*    U  10          1H5*        U  10  -7.712  13.964  -4.781
  100    H4*    U  10           H4*        U  10  -8.727  11.725  -4.378
  101    H3*    U  10           H3*        U  10  -5.694  11.800  -4.847
  102    H2*    U  10           H2*        U  10  -5.699   9.429  -4.441
  103   2HO*    U  10          2HO*        U  10  -7.137   9.736  -2.560
  104    H1*    U  10           H1*        U  10  -8.150   8.893  -5.719
  105    H3     U  10           H3         U  10  -5.662   6.796  -8.781
  106    H5     U  10           H5         U  10  -3.928  10.632  -8.682
  107    H6     U  10           H6         U  10  -5.485  11.206  -6.902
  108   1H5*    U  11          2H5*        U  11  -5.269  11.063  -0.640
  109   2H5*    U  11          1H5*        U  11  -5.974  12.453   0.207
  110    H4*    U  11           H4*        U  11  -4.005  11.502   1.386
  111    H3*    U  11           H3*        U  11  -4.418  14.238   1.125
  112    H2*    U  11           H2*        U  11  -2.991  14.425  -0.877
  113   2HO*    U  11          2HO*        U  11  -1.233  14.707   1.370
  114    H1*    U  11           H1*        U  11  -1.032  12.627   0.641
  115    H3     U  11           H3         U  11   2.028  13.129  -2.604
  116    H5     U  11           H5         U  11  -1.528  12.448  -4.755
  117    H6     U  11           H6         U  11  -2.724  12.462  -2.643
  118   1H5*    C  12          2H5*        C  12  -5.278  12.571   2.788
  119   2H5*    C  12          1H5*        C  12  -6.149  12.589   4.334
  120    H4*    C  12           H4*        C  12  -5.792  10.294   3.542
  121    H3*    C  12           H3*        C  12  -5.323  10.947   6.177
  122    H2*    C  12           H2*        C  12  -2.951  11.542   5.623
  123   2HO*    C  12          2HO*        C  12  -2.851   8.824   6.494
  124    H1*    C  12           H1*        C  12  -3.007   8.791   4.304
  125   1H4     C  12          1H4         C  12   3.119  10.080   3.278
  126   2H4     C  12          2H4         C  12   2.677  11.333   2.141
  127    H5     C  12           H5         C  12   0.353  12.096   1.871
  128    H6     C  12           H6         C  12  -1.952  11.722   2.562
  129   1H5*    G  13          2H5*        G  13  -7.632   9.726   3.100
  130   2H5*    G  13          1H5*        G  13  -8.307   8.163   2.601
  131    H4*    G  13           H4*        G  13  -7.264   9.682   0.783
  132    H3*    G  13           H3*        G  13  -6.400   6.747   1.076
  133    H2*    G  13           H2*        G  13  -5.101   7.143  -0.951
  134   2HO*    G  13          2HO*        G  13  -6.666   8.374  -2.069
  135    H1*    G  13           H1*        G  13  -4.104   9.600  -0.115
  136    H8     G  13           H8         G  13  -3.893   7.904   3.063
  137    H1     G  13           H1         G  13   0.192   5.341  -1.154
  138   1H2     G  13          1H2         G  13  -1.719   7.027  -3.510
  139   2H2     G  13          2H2         G  13  -0.375   5.947  -3.207
  140   1H5*    C  14          2H5*        C  14  -7.944   3.757  -2.460
  141   2H5*    C  14          1H5*        C  14  -6.616   3.972  -1.301
  142    H4*    C  14           H4*        C  14  -6.535   4.711  -4.249
  143    H3*    C  14           H3*        C  14  -5.407   2.314  -2.715
  144    H2*    C  14           H2*        C  14  -3.461   2.423  -4.187
  145   2HO*    C  14          2HO*        C  14  -4.944   3.149  -6.006
  146    H1*    C  14           H1*        C  14  -3.010   5.067  -3.817
  147   1H4     C  14          1H4         C  14  -1.790   2.582   2.195
  148   2H4     C  14          2H4         C  14  -0.451   2.033   1.209
  149    H5     C  14           H5         C  14  -3.687   3.838   1.248
  150    H6     C  14           H6         C  14  -4.674   4.677  -0.818
  151   1H5*    C  15          2H5*        C  15  -4.749   1.541  -6.848
  152   2H5*    C  15          1H5*        C  15  -5.181  -0.134  -7.241
  153    H4*    C  15           H4*        C  15  -2.851   0.409  -7.876
  154    H3*    C  15           H3*        C  15  -3.150  -1.635  -5.601
  155    H2*    C  15           H2*        C  15  -0.726  -1.909  -5.834
  156   2HO*    C  15          2HO*        C  15   0.297  -1.324  -7.621
  157    H1*    C  15           H1*        C  15  -0.212   0.777  -5.787
  158   1H4     C  15          1H4         C  15  -0.317  -0.949   0.332
  159   2H4     C  15          2H4         C  15  -2.058  -0.781   0.393
  160    H5     C  15           H5         C  15  -3.401  -0.264  -1.606
  161    H6     C  15           H6         C  15  -3.304   0.182  -4.000
  162   1H5*    A  16          1H5*        A  16  -0.485  -2.774  -8.526
  163   2H5*    A  16          2H5*        A  16  -0.391  -4.515  -8.859
  164    H4*    A  16           H4*        A  16   1.787  -3.518  -8.160
  165    H3*    A  16           H3*        A  16   0.584  -5.594  -6.236
  166    H2*    A  16           H2*        A  16   2.753  -5.431  -5.110
  167   2HO*    A  16          2HO*        A  16   3.939  -5.239  -7.147
  168    H1*    A  16           H1*        A  16   2.779  -2.678  -5.124
  169    H8     A  16           H8         A  16  -0.843  -3.386  -4.632
  170   1H6     A  16          1H6         A  16  -0.822  -4.481   0.105
  171   2H6     A  16          2H6         A  16   0.459  -4.675   1.281
  172    H2     A  16           H2         A  16   4.310  -4.524  -0.972
  173   1H5*    G  17          1H5*        G  17   4.601  -7.046  -7.500
  174   2H5*    G  17          2H5*        G  17   4.461  -8.794  -7.780
  175    H4*    G  17           H4*        G  17   6.302  -8.237  -6.221
  176    H3*    G  17           H3*        G  17   3.943  -9.773  -4.988
  177    H2*    G  17           H2*        G  17   5.344  -9.906  -2.989
  178   2HO*    G  17          2HO*        G  17   7.305 -10.191  -4.384
  179    H1*    G  17           H1*        G  17   6.074  -7.249  -3.043
  180    H8     G  17           H8         G  17   2.566  -7.093  -4.279
  181    H1     G  17           H1         G  17   2.902  -8.327   2.002
  182   1H2     G  17          1H2         G  17   4.964  -8.910   2.547
  183   2H2     G  17          2H2         G  17   6.243  -9.000   1.358
  184   1H5*    C  18          1H5*        C  18   7.334 -12.021  -3.795
  185   2H5*    C  18          2H5*        C  18   6.977 -13.744  -4.030
  186    H4*    C  18           H4*        C  18   7.553 -13.256  -1.687
  187    H3*    C  18           H3*        C  18   4.633 -14.058  -2.185
  188    H2*    C  18           H2*        C  18   4.372 -13.992   0.239
  189   2HO*    C  18          2HO*        C  18   6.637 -14.884   0.466
  190    H1*    C  18           H1*        C  18   5.627 -11.573   0.564
  191   1H4     C  18          1H4         C  18  -0.200 -10.058  -2.200
  192   2H4     C  18          2H4         C  18  -0.444 -10.025  -0.467
  193    H5     C  18           H5         C  18   1.932 -10.757  -3.217
  194    H6     C  18           H6         C  18   4.177 -11.586  -2.742
  195   1H5*    C  19          1H5*        C  19   6.025 -16.805   0.757
  196   2H5*    C  19          2H5*        C  19   5.328 -18.421   0.521
  197    H4*    C  19           H4*        C  19   4.680 -17.433   2.694
  198    H3*    C  19           H3*        C  19   2.396 -17.707   0.674
  199    H2*    C  19           H2*        C  19   0.947 -17.100   2.526
  200   2HO*    C  19          2HO*        C  19   2.636 -18.284   4.012
  201    H1*    C  19           H1*        C  19   2.509 -14.955   3.252
  202   1H4     C  19          1H4         C  19  -0.495 -13.117  -2.369
  203   2H4     C  19          2H4         C  19  -1.502 -12.566  -1.046
  204    H5     C  19           H5         C  19   1.546 -14.454  -2.000
  205    H6     C  19           H6         C  19   2.918 -15.548  -0.304
  206    H3T    C  19           H3T        C  19   2.056 -19.597   1.852
  207   1HC   CH3   8          1HC       CH3   8  -2.673   8.364  -4.910
  208   2HC   CH3   8          2HC       CH3   8  -3.563   9.761  -5.521
  209   3HC   CH3   8          3HC       CH3   8  -3.725   8.194  -6.316
  Start of MODEL    7
    1   1H5*    G   1          2H5*        G   1  -8.889  -6.082   1.925
    2   2H5*    G   1          1H5*        G   1  -8.108  -7.278   0.870
    3    H4*    G   1           H4*        G   1  -9.463  -7.896   3.521
    4    H3*    G   1           H3*        G   1  -6.506  -7.527   2.806
    5    H2*    G   1           H2*        G   1  -6.033  -9.319   4.409
    6   2HO*    G   1          2HO*        G   1  -7.805  -8.601   5.851
    7    H1*    G   1           H1*        G   1  -7.801 -11.056   3.341
    8    H8     G   1           H8         G   1  -7.214  -9.189   0.244
    9    H1     G   1           H1         G   1  -1.952 -12.384   2.023
   10   1H2     G   1          1H2         G   1  -2.145 -13.046   4.126
   11   2H2     G   1          2H2         G   1  -3.580 -12.711   5.071
   12    H5T    G   1           H5T        G   1 -10.245  -8.366   0.944
   13   1H5*    G   2          2H5*        G   2  -6.478  -7.853   7.035
   14   2H5*    G   2          1H5*        G   2  -5.601  -6.463   7.706
   15    H4*    G   2           H4*        G   2  -4.679  -8.588   8.533
   16    H3*    G   2           H3*        G   2  -2.858  -6.994   6.650
   17    H2*    G   2           H2*        G   2  -1.168  -8.699   7.091
   18   2HO*    G   2          2HO*        G   2  -1.922  -8.855   9.388
   19    H1*    G   2           H1*        G   2  -2.838 -10.824   6.673
   20    H8     G   2           H8         G   2  -4.286  -8.388   4.278
   21    H1     G   2           H1         G   2   1.389 -10.627   2.315
   22   1H2     G   2          1H2         G   2   2.416 -11.654   3.982
   23   2H2     G   2          2H2         G   2   1.699 -11.774   5.573
   24   1H5*    C   3          2H5*        C   3  -0.217  -7.761   9.848
   25   2H5*    C   3          1H5*        C   3   0.592  -6.237  10.269
   26    H4*    C   3           H4*        C   3   2.229  -7.948   9.636
   27    H3*    C   3           H3*        C   3   1.925  -5.640   7.638
   28    H2*    C   3           H2*        C   3   3.772  -6.667   6.417
   29   2HO*    C   3          2HO*        C   3   4.808  -7.299   8.518
   30    H1*    C   3           H1*        C   3   2.733  -9.200   6.482
   31   1H4     C   3          1H4         C   3  -1.184  -5.962   2.235
   32   2H4     C   3          2H4         C   3   0.143  -6.612   1.295
   33    H5     C   3           H5         C   3  -1.279  -6.164   4.688
   34    H6     C   3           H6         C   3  -0.090  -6.974   6.657
   35   1H5*    U   4          1H5*        U   4   6.158  -5.766   8.442
   36   2H5*    U   4          2H5*        U   4   6.759  -4.100   8.558
   37    H4*    U   4           H4*        U   4   7.894  -5.349   6.764
   38    H3*    U   4           H3*        U   4   6.038  -3.097   5.806
   39    H2*    U   4           H2*        U   4   6.935  -3.580   3.580
   40   2HO*    U   4          2HO*        U   4   9.109  -4.011   4.403
   41    H1*    U   4           H1*        U   4   6.551  -6.283   3.776
   42    H3     U   4           H3         U   4   3.023  -4.870   1.292
   43    H5     U   4           H5         U   4   1.981  -3.809   5.232
   44    H6     U   4           H6         U   4   4.206  -4.496   5.926
   45   1H5*    G   5          2H5*        G   5   9.879  -2.179   3.970
   46   2H5*    G   5          1H5*        G   5  10.116  -0.423   4.083
   47    H4*    G   5           H4*        G   5  10.216  -1.221   1.748
   48    H3*    G   5           H3*        G   5   7.757   0.512   2.388
   49    H2*    G   5           H2*        G   5   7.384   0.444  -0.023
   50   2HO*    G   5          2HO*        G   5   9.068   0.319  -1.290
   51    H1*    G   5           H1*        G   5   7.869  -2.274  -0.241
   52    H8     G   5           H8         G   5   6.052  -1.886   3.017
   53    H1     G   5           H1         G   5   2.216  -1.215  -2.079
   54   1H2     G   5          1H2         G   5   3.433  -1.012  -3.916
   55   2H2     G   5          2H2         G   5   5.182  -1.040  -3.871
   56   1H5*    G   6          1H5*        G   6  10.095   1.943  -0.965
   57   2H5*    G   6          2H5*        G   6  10.058   3.710  -1.130
   58    H4*    G   6           H4*        G   6   9.330   2.483  -3.188
   59    H3*    G   6           H3*        G   6   7.228   4.264  -1.823
   60    H2*    G   6           H2*        G   6   5.854   3.761  -3.792
   61   2HO*    G   6          2HO*        G   6   7.802   3.793  -5.209
   62    H1*    G   6           H1*        G   6   6.302   1.062  -3.671
   63    H8     G   6           H8         G   6   6.391   2.055  -0.063
   64    H1     G   6           H1         G   6   0.458   2.094  -2.494
   65   1H2     G   6          1H2         G   6   0.547   2.012  -4.703
   66   2H2     G   6          2H2         G   6   2.064   1.847  -5.559
   67   1H5*    C   7          1H5*        C   7   7.317   5.463  -5.830
   68   2H5*    C   7          2H5*        C   7   6.977   7.193  -6.031
   69    H4*    C   7           H4*        C   7   5.268   5.669  -7.072
   70    H3*    C   7           H3*        C   7   4.339   7.568  -4.845
   71    H2*    C   7           H2*        C   7   2.090   6.749  -5.324
   72   2HO*    C   7          2HO*        C   7   2.787   6.600  -7.713
   73    H1*    C   7           H1*        C   7   2.792   4.099  -5.347
   74   1H4     C   7          1H4         C   7   3.019   5.805   1.043
   75   2H4     C   7          2H4         C   7   1.333   5.502   0.687
   76    H5     C   7           H5         C   7   4.757   5.795  -0.708
   77    H6     C   7           H6         C   7   5.157   5.520  -3.100
   78   1H5*   +U   8          1H5*       +U   8   1.286   9.443  -8.506
   79   2H5*   +U   8          2H5*       +U   8   1.018   7.742  -8.073
   80    H4*   +U   8           H4*       +U   8  -1.090   9.058  -8.156
   81    H3*   +U   8           H3*       +U   8   0.255  10.687  -5.935
   82    H2*   +U   8           H2*       +U   8  -1.956  10.928  -4.957
   83    H1*   +U   8           H1*       +U   8  -2.642   8.278  -5.199
   84    H3    +U   8           H3        +U   8  -1.516   8.811  -0.819
   85    H5    +U   8           H5        +U   8   2.161   8.320  -2.823
   86    H6    +U   8           H6        +U   8   0.950   8.477  -4.924
   87   1H5*    G   9          2H5*        G   9  -2.560  13.206  -6.179
   88   2H5*    G   9          1H5*        G   9  -2.235  14.286  -7.550
   89    H4*    G   9           H4*        G   9  -3.321  15.464  -5.674
   90    H3*    G   9           H3*        G   9  -1.204  16.591  -7.046
   91    H2*    G   9           H2*        G   9   0.481  15.682  -5.482
   92   2HO*    G   9          2HO*        G   9  -0.343  18.286  -4.623
   93    H1*    G   9           H1*        G   9  -1.386  16.691  -3.269
   94    H8     G   9           H8         G   9   1.398  14.165  -4.275
   95    H1     G   9           H1         G   9   0.381  14.833   2.021
   96   1H2     G   9          1H2         G   9  -1.365  16.155   2.361
   97   2H2     G   9          2H2         G   9  -2.250  16.875   1.036
   98   1H5*    U  10          1H5*        U  10  -6.056  18.435  -4.518
   99   2H5*    U  10          2H5*        U  10  -4.608  18.209  -3.517
  100    H4*    U  10           H4*        U  10  -6.684  17.165  -2.582
  101    H3*    U  10           H3*        U  10  -4.155  15.967  -2.484
  102    H2*    U  10           H2*        U  10  -4.567  14.507  -4.406
  103   2HO*    U  10          2HO*        U  10  -5.232  12.462  -3.430
  104    H1*    U  10           H1*        U  10  -7.381  14.089  -3.277
  105    H3     U  10           H3         U  10  -8.573  11.331  -6.596
  106    H5     U  10           H5         U  10  -6.010  14.040  -8.555
  107    H6     U  10           H6         U  10  -5.654  15.135  -6.413
  108   1H5*    U  11          2H5*        U  11  -6.272  13.304   0.890
  109   2H5*    U  11          1H5*        U  11  -6.110  14.388   2.287
  110    H4*    U  11           H4*        U  11  -5.425  12.113   2.872
  111    H3*    U  11           H3*        U  11  -3.882  14.196   3.684
  112    H2*    U  11           H2*        U  11  -2.686  14.277   1.490
  113   2HO*    U  11          2HO*        U  11  -1.142  12.753   3.366
  114    H1*    U  11           H1*        U  11  -2.202  11.296   1.973
  115    H3     U  11           H3         U  11   0.662  11.448  -1.530
  116    H5     U  11           H5         U  11  -3.045  12.624  -3.148
  117    H6     U  11           H6         U  11  -3.915  12.726  -0.879
  118   1H5*    C  12          2H5*        C  12  -6.642  12.118   4.756
  119   2H5*    C  12          1H5*        C  12  -7.047  10.683   5.717
  120    H4*    C  12           H4*        C  12  -7.953  10.920   3.278
  121    H3*    C  12           H3*        C  12  -7.636   8.595   4.753
  122    H2*    C  12           H2*        C  12  -5.438   7.999   3.954
  123   2HO*    C  12          2HO*        C  12  -7.024   7.148   1.741
  124    H1*    C  12           H1*        C  12  -6.044   8.924   1.136
  125   1H4     C  12          1H4         C  12   0.290   8.716   0.955
  126   2H4     C  12          2H4         C  12   0.433   8.974   2.680
  127    H5     C  12           H5         C  12  -1.520   9.297   4.130
  128    H6     C  12           H6         C  12  -3.950   9.448   4.178
  129   1H5*    G  13          2H5*        G  13  -9.483   8.138   0.410
  130   2H5*    G  13          1H5*        G  13 -10.308   6.614   0.028
  131    H4*    G  13           H4*        G  13  -8.628   7.366  -1.692
  132    H3*    G  13           H3*        G  13  -8.060   4.687  -0.294
  133    H2*    G  13           H2*        G  13  -6.203   4.511  -1.799
  134   2HO*    G  13          2HO*        G  13  -7.246   4.812  -3.734
  135    H1*    G  13           H1*        G  13  -5.828   7.375  -2.052
  136    H8     G  13           H8         G  13  -5.480   6.265   1.522
  137    H1     G  13           H1         G  13  -0.249   5.199  -2.023
  138   1H2     G  13          1H2         G  13  -0.738   5.413  -4.171
  139   2H2     G  13          2H2         G  13  -2.320   5.936  -4.704
  140   1H5*    C  14          1H5*        C  14  -7.911   1.237  -3.935
  141   2H5*    C  14          2H5*        C  14  -6.844   1.884  -2.672
  142    H4*    C  14           H4*        C  14  -6.556   2.403  -5.654
  143    H3*    C  14           H3*        C  14  -5.060   0.486  -3.783
  144    H2*    C  14           H2*        C  14  -3.082   0.953  -5.148
  145   2HO*    C  14          2HO*        C  14  -4.620   1.172  -7.096
  146    H1*    C  14           H1*        C  14  -3.352   3.657  -5.028
  147   1H4     C  14          1H4         C  14  -0.335   1.955   0.341
  148   2H4     C  14          2H4         C  14  -1.850   2.043   1.214
  149    H5     C  14           H5         C  14  -3.993   2.482   0.088
  150    H6     C  14           H6         C  14  -5.058   2.836  -2.076
  151   1H5*    C  15          2H5*        C  15  -3.945  -0.287  -7.807
  152   2H5*    C  15          1H5*        C  15  -3.901  -2.026  -8.161
  153    H4*    C  15           H4*        C  15  -1.775  -0.881  -8.733
  154    H3*    C  15           H3*        C  15  -1.646  -2.941  -6.460
  155    H2*    C  15           H2*        C  15   0.776  -2.558  -6.507
  156   2HO*    C  15          2HO*        C  15   0.626  -2.223  -8.936
  157    H1*    C  15           H1*        C  15   0.564   0.152  -6.392
  158   1H4     C  15          1H4         C  15  -1.568  -1.893  -0.453
  159   2H4     C  15          2H4         C  15   0.169  -1.713  -0.318
  160    H5     C  15           H5         C  15  -2.761  -1.582  -2.583
  161    H6     C  15           H6         C  15  -2.490  -1.097  -4.956
  162   1H5*    A  16          2H5*        A  16   1.588  -3.780  -8.932
  163   2H5*    A  16          1H5*        A  16   1.742  -5.530  -9.188
  164    H4*    A  16           H4*        A  16   3.792  -4.583  -8.216
  165    H3*    A  16           H3*        A  16   2.211  -6.394  -6.299
  166    H2*    A  16           H2*        A  16   4.168  -6.163  -4.847
  167   2HO*    A  16          2HO*        A  16   5.690  -6.231  -6.647
  168    H1*    A  16           H1*        A  16   4.309  -3.435  -5.124
  169    H8     A  16           H8         A  16   0.627  -4.148  -5.286
  170   1H6     A  16          1H6         A  16  -0.283  -4.579  -0.523
  171   2H6     A  16          2H6         A  16   0.743  -4.536   0.894
  172    H2     A  16           H2         A  16   4.960  -4.553  -0.563
  173   1H5*    G  17          1H5*        G  17   6.154  -8.495  -7.074
  174   2H5*    G  17          2H5*        G  17   5.829 -10.240  -7.094
  175    H4*    G  17           H4*        G  17   7.563  -9.621  -5.436
  176    H3*    G  17           H3*        G  17   4.929 -10.700  -4.281
  177    H2*    G  17           H2*        G  17   6.072 -10.626  -2.121
  178   2HO*    G  17          2HO*        G  17   8.138 -11.310  -3.156
  179    H1*    G  17           H1*        G  17   7.051  -8.085  -2.464
  180    H8     G  17           H8         G  17   3.781  -7.933  -4.265
  181    H1     G  17           H1         G  17   3.109  -7.928   2.109
  182   1H2     G  17          1H2         G  17   5.009  -8.526   3.070
  183   2H2     G  17          2H2         G  17   6.432  -8.920   2.133
  184   1H5*    C  18          1H5*        C  18   7.887 -13.145  -2.375
  185   2H5*    C  18          2H5*        C  18   7.310 -14.824  -2.432
  186    H4*    C  18           H4*        C  18   7.702 -14.085  -0.117
  187    H3*    C  18           H3*        C  18   4.772 -14.583  -0.874
  188    H2*    C  18           H2*        C  18   4.249 -14.123   1.465
  189   2HO*    C  18          2HO*        C  18   6.458 -15.192   2.003
  190    H1*    C  18           H1*        C  18   5.752 -11.841   1.618
  191   1H4     C  18          1H4         C  18   0.122  -9.839  -0.540
  192   2H4     C  18          2H4         C  18   0.618 -10.115  -2.196
  193    H5     C  18           H5         C  18   2.752 -11.212  -2.765
  194    H6     C  18           H6         C  18   4.780 -12.200  -1.838
  195   1H5*    C  19          2H5*        C  19   5.309 -16.781   2.669
  196   2H5*    C  19          1H5*        C  19   4.522 -18.369   2.563
  197    H4*    C  19           H4*        C  19   3.609 -17.029   4.418
  198    H3*    C  19           H3*        C  19   1.676 -17.408   2.073
  199    H2*    C  19           H2*        C  19   0.012 -16.425   3.544
  200   2HO*    C  19          2HO*        C  19   1.054 -17.525   5.460
  201    H1*    C  19           H1*        C  19   1.652 -14.335   4.264
  202   1H4     C  19          1H4         C  19  -0.171 -13.053  -1.981
  203   2H4     C  19          2H4         C  19  -1.323 -12.245  -0.937
  204    H5     C  19           H5         C  19   1.645 -14.464  -1.091
  205    H6     C  19           H6         C  19   2.595 -15.422   0.944
  206    H3T    C  19           H3T        C  19   2.482 -19.249   3.345
  207   1HC   CH3   8          1HC       CH3   8  -4.325   9.928  -5.067
  208   2HC   CH3   8          2HC       CH3   8  -4.045  11.641  -5.397
  209   3HC   CH3   8          3HC       CH3   8  -5.073  10.690  -6.473
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1 -10.503  -8.770   1.819
    2   2H5*    G   1          2H5*        G   1  -9.629  -7.467   2.649
    3    H4*    G   1           H4*        G   1  -9.939  -9.441   4.101
    4    H3*    G   1           H3*        G   1  -7.067  -8.744   3.300
    5    H2*    G   1           H2*        G   1  -6.346 -10.624   4.692
    6   2HO*    G   1          2HO*        G   1  -8.079 -10.217   6.287
    7    H1*    G   1           H1*        G   1  -8.001 -12.418   3.547
    8    H8     G   1           H8         G   1  -7.832 -10.287   0.597
    9    H1     G   1           H1         G   1  -2.102 -12.889   1.812
   10   1H2     G   1          1H2         G   1  -3.467 -13.645   4.910
   11   2H2     G   1          2H2         G   1  -2.067 -13.712   3.864
   12    H5T    G   1           H5T        G   1  -7.707  -8.321   1.590
   13   1H5*    G   2          1H5*        G   2  -6.758  -9.309   7.452
   14   2H5*    G   2          2H5*        G   2  -5.916  -7.934   8.197
   15    H4*    G   2           H4*        G   2  -4.803 -10.075   8.708
   16    H3*    G   2           H3*        G   2  -3.240  -8.134   6.922
   17    H2*    G   2           H2*        G   2  -1.412  -9.752   7.016
   18   2HO*    G   2          2HO*        G   2  -2.003 -10.263   9.320
   19    H1*    G   2           H1*        G   2  -2.956 -11.912   6.405
   20    H8     G   2           H8         G   2  -4.823  -9.341   4.517
   21    H1     G   2           H1         G   2   0.857 -10.611   1.833
   22   1H2     G   2          1H2         G   2   1.573 -12.160   4.854
   23   2H2     G   2          2H2         G   2   2.129 -11.736   3.250
   24   1H5*    C   3          2H5*        C   3  -0.305  -9.144   9.726
   25   2H5*    C   3          1H5*        C   3   0.472  -7.651  10.293
   26    H4*    C   3           H4*        C   3   2.109  -9.167   9.263
   27    H3*    C   3           H3*        C   3   1.531  -6.601   7.682
   28    H2*    C   3           H2*        C   3   3.306  -7.337   6.171
   29   2HO*    C   3          2HO*        C   3   4.579  -8.228   7.997
   30    H1*    C   3           H1*        C   3   2.343  -9.878   5.899
   31   1H4     C   3          1H4         C   3  -2.071  -6.142   2.668
   32   2H4     C   3          2H4         C   3  -0.802  -6.510   1.521
   33    H5     C   3           H5         C   3  -1.944  -6.826   5.032
   34    H6     C   3           H6         C   3  -0.544  -7.914   6.707
   35   1H5*    U   4          2H5*        U   4   5.827  -6.786   8.066
   36   2H5*    U   4          1H5*        U   4   6.441  -5.151   8.380
   37    H4*    U   4           H4*        U   4   7.438  -6.139   6.347
   38    H3*    U   4           H3*        U   4   5.566  -3.753   5.853
   39    H2*    U   4           H2*        U   4   6.337  -3.906   3.537
   40   2HO*    U   4          2HO*        U   4   8.164  -4.906   3.026
   41    H1*    U   4           H1*        U   4   5.946  -6.615   3.361
   42    H3     U   4           H3         U   4   2.419  -4.679   1.214
   43    H5     U   4           H5         U   4   1.381  -4.547   5.296
   44    H6     U   4           H6         U   4   3.631  -5.310   5.814
   45   1H5*    G   5          2H5*        G   5   9.121  -3.400   3.763
   46   2H5*    G   5          1H5*        G   5   9.778  -1.752   3.716
   47    H4*    G   5           H4*        G   5   9.444  -2.732   1.454
   48    H3*    G   5           H3*        G   5   7.642  -0.327   2.115
   49    H2*    G   5           H2*        G   5   7.058  -0.439  -0.258
   50   2HO*    G   5          2HO*        G   5   9.164  -0.896  -1.043
   51    H1*    G   5           H1*        G   5   6.727  -3.191  -0.256
   52    H8     G   5           H8         G   5   5.277  -2.407   3.028
   53    H1     G   5           H1         G   5   1.636  -0.151  -1.743
   54   1H2     G   5          1H2         G   5   4.434  -0.734  -3.710
   55   2H2     G   5          2H2         G   5   2.788  -0.144  -3.632
   56   1H5*    G   6          1H5*        G   6   9.988   0.682  -1.382
   57   2H5*    G   6          2H5*        G   6  10.418   2.404  -1.392
   58    H4*    G   6           H4*        G   6   9.139   1.687  -3.412
   59    H3*    G   6           H3*        G   6   7.793   3.742  -1.568
   60    H2*    G   6           H2*        G   6   6.044   3.846  -3.265
   61   2HO*    G   6          2HO*        G   6   7.085   3.770  -5.183
   62    H1*    G   6           H1*        G   6   5.817   1.124  -3.559
   63    H8     G   6           H8         G   6   6.574   1.422   0.072
   64    H1     G   6           H1         G   6   0.631   3.364  -1.356
   65   1H2     G   6          1H2         G   6   0.427   3.616  -3.547
   66   2H2     G   6          2H2         G   6   1.768   3.333  -4.635
   67   1H5*    C   7          1H5*        C   7   8.145   5.215  -5.713
   68   2H5*    C   7          2H5*        C   7   8.335   6.979  -5.795
   69    H4*    C   7           H4*        C   7   6.374   6.111  -7.087
   70    H3*    C   7           H3*        C   7   5.834   8.032  -4.757
   71    H2*    C   7           H2*        C   7   3.476   7.914  -5.403
   72   2HO*    C   7          2HO*        C   7   4.245   7.698  -7.757
   73    H1*    C   7           H1*        C   7   3.383   5.200  -5.513
   74   1H4     C   7          1H4         C   7   2.450   6.399   0.649
   75   2H4     C   7          2H4         C   7   4.174   6.401   0.950
   76    H5     C   7           H5         C   7   5.822   6.146  -0.861
   77    H6     C   7           H6         C   7   6.097   5.941  -3.275
   78   1H5*   +U   8          1H5*       +U   8   3.741   9.273  -8.095
   79   2H5*   +U   8          2H5*       +U   8   3.467  11.018  -8.270
   80    H4*   +U   8           H4*       +U   8   1.377   9.639  -7.952
   81    H3*   +U   8           H3*       +U   8   2.042  11.838  -5.921
   82    H2*   +U   8           H2*       +U   8  -0.074  11.289  -4.843
   83    H1*   +U   8           H1*       +U   8   0.344   8.591  -4.807
   84    H3    +U   8           H3        +U   8   1.332  10.179  -0.623
   85    H5    +U   8           H5        +U   8   4.885  10.633  -2.841
   86    H6    +U   8           H6        +U   8   3.626  10.040  -4.834
   87   1H5*    G   9          2H5*        G   9  -1.536  12.208  -6.156
   88   2H5*    G   9          1H5*        G   9  -2.075  11.980  -7.831
   89    H4*    G   9           H4*        G   9  -3.975  12.382  -6.337
   90    H3*    G   9           H3*        G   9  -3.853  13.679  -8.737
   91    H2*    G   9           H2*        G   9  -2.537  15.570  -7.844
   92   2HO*    G   9          2HO*        G   9  -5.334  16.165  -7.750
   93    H1*    G   9           H1*        G   9  -4.576  15.715  -5.569
   94    H8     G   9           H8         G   9  -0.838  16.141  -6.608
   95    H1     G   9           H1         G   9  -2.730  19.519  -1.496
   96   1H2     G   9          1H2         G   9  -4.825  19.005  -0.990
   97   2H2     G   9          2H2         G   9  -5.741  17.844  -1.922
   98   1H5*    U  10          2H5*        U  10  -8.396  11.833  -5.994
   99   2H5*    U  10          1H5*        U  10  -7.607  13.010  -4.925
  100    H4*    U  10           H4*        U  10  -8.408  10.948  -3.754
  101    H3*    U  10           H3*        U  10  -6.085  12.195  -3.056
  102    H2*    U  10           H2*        U  10  -4.732  11.012  -4.751
  103   2HO*    U  10          2HO*        U  10  -4.628   9.544  -2.291
  104    H1*    U  10           H1*        U  10  -5.994   8.418  -3.745
  105    H3     U  10           H3         U  10  -3.098   6.368  -6.560
  106    H5     U  10           H5         U  10  -5.234   9.008  -9.053
  107    H6     U  10           H6         U  10  -6.280   9.923  -7.059
  108   1H5*    U  11          1H5*        U  11  -6.127   9.739   0.908
  109   2H5*    U  11          2H5*        U  11  -6.825  10.902   2.049
  110    H4*    U  11           H4*        U  11  -4.426  10.434   2.490
  111    H3*    U  11           H3*        U  11  -5.531  13.046   2.488
  112    H2*    U  11           H2*        U  11  -4.533  13.609   0.321
  113   2HO*    U  11          2HO*        U  11  -2.705  14.128   2.448
  114    H1*    U  11           H1*        U  11  -2.112  12.021   1.327
  115    H3     U  11           H3         U  11   0.427  12.827  -2.261
  116    H5     U  11           H5         U  11  -3.448  12.753  -3.902
  117    H6     U  11           H6         U  11  -4.311  12.379  -1.661
  118   1H5*    C  12          2H5*        C  12  -5.658  10.492   4.002
  119   2H5*    C  12          1H5*        C  12  -5.997  10.108   5.700
  120    H4*    C  12           H4*        C  12  -5.402   8.111   4.323
  121    H3*    C  12           H3*        C  12  -4.559   8.401   6.918
  122    H2*    C  12           H2*        C  12  -2.571   9.724   6.147
  123   2HO*    C  12          2HO*        C  12  -1.691   7.017   6.442
  124    H1*    C  12           H1*        C  12  -2.190   7.316   4.303
  125   1H4     C  12          1H4         C  12   2.043  11.814   1.959
  126   2H4     C  12          2H4         C  12   3.020  10.520   2.615
  127    H5     C  12           H5         C  12  -0.402  11.873   2.223
  128    H6     C  12           H6         C  12  -2.328  10.711   3.151
  129   1H5*    G  13          1H5*        G  13  -7.173   7.079   4.120
  130   2H5*    G  13          2H5*        G  13  -7.463   5.500   3.364
  131    H4*    G  13           H4*        G  13  -7.406   7.569   1.830
  132    H3*    G  13           H3*        G  13  -5.591   5.159   1.234
  133    H2*    G  13           H2*        G  13  -5.079   6.363  -0.844
  134   2HO*    G  13          2HO*        G  13  -7.344   7.167  -0.988
  135    H1*    G  13           H1*        G  13  -4.585   8.748   0.437
  136    H8     G  13           H8         G  13  -3.309   6.579   3.050
  137    H1     G  13           H1         G  13   0.331   6.222  -2.210
  138   1H2     G  13          1H2         G  13  -2.396   7.676  -3.785
  139   2H2     G  13          2H2         G  13  -0.727   7.166  -3.914
  140   1H5*    C  14          2H5*        C  14  -7.697   5.273  -2.297
  141   2H5*    C  14          1H5*        C  14  -8.070   3.644  -2.896
  142    H4*    C  14           H4*        C  14  -6.486   4.873  -4.364
  143    H3*    C  14           H3*        C  14  -5.378   2.380  -2.952
  144    H2*    C  14           H2*        C  14  -3.367   2.750  -4.295
  145   2HO*    C  14          2HO*        C  14  -4.713   3.480  -6.161
  146    H1*    C  14           H1*        C  14  -3.198   5.424  -3.720
  147   1H4     C  14          1H4         C  14  -1.475   2.496   1.956
  148   2H4     C  14          2H4         C  14  -0.035   2.483   0.960
  149    H5     C  14           H5         C  14  -3.642   3.325   1.127
  150    H6     C  14           H6         C  14  -4.816   4.185  -0.831
  151   1H5*    C  15          2H5*        C  15  -4.594   1.959  -7.166
  152   2H5*    C  15          1H5*        C  15  -4.763   0.265  -7.670
  153    H4*    C  15           H4*        C  15  -2.506   1.186  -8.143
  154    H3*    C  15           H3*        C  15  -2.631  -1.059  -6.048
  155    H2*    C  15           H2*        C  15  -0.179  -0.974  -6.125
  156   2HO*    C  15          2HO*        C  15  -0.372  -0.383  -8.530
  157    H1*    C  15           H1*        C  15  -0.063   1.733  -5.801
  158   1H4     C  15          1H4         C  15  -0.472  -0.507   0.134
  159   2H4     C  15          2H4         C  15  -2.220  -0.567   0.037
  160    H5     C  15           H5         C  15  -3.442  -0.019  -2.031
  161    H6     C  15           H6         C  15  -3.194   0.623  -4.369
  162   1H5*    A  16          1H5*        A  16   0.444  -1.940  -8.701
  163   2H5*    A  16          2H5*        A  16   0.436  -3.650  -9.173
  164    H4*    A  16           H4*        A  16   2.607  -2.959  -8.217
  165    H3*    A  16           H3*        A  16   1.014  -4.935  -6.481
  166    H2*    A  16           H2*        A  16   3.068  -5.040  -5.153
  167   2HO*    A  16          2HO*        A  16   4.482  -4.953  -7.024
  168    H1*    A  16           H1*        A  16   3.396  -2.307  -5.071
  169    H8     A  16           H8         A  16  -0.308  -2.618  -4.968
  170   1H6     A  16          1H6         A  16   0.229  -4.202   1.000
  171   2H6     A  16          2H6         A  16  -0.892  -3.799  -0.281
  172    H2     A  16           H2         A  16   4.286  -4.398  -0.848
  173   1H5*    G  17          2H5*        G  17   4.898  -6.765  -7.522
  174   2H5*    G  17          1H5*        G  17   4.680  -8.507  -7.780
  175    H4*    G  17           H4*        G  17   6.421  -7.987  -6.083
  176    H3*    G  17           H3*        G  17   3.918  -9.431  -5.032
  177    H2*    G  17           H2*        G  17   5.176  -9.609  -2.940
  178   2HO*    G  17          2HO*        G  17   7.219  -9.958  -4.188
  179    H1*    G  17           H1*        G  17   5.978  -6.975  -2.945
  180    H8     G  17           H8         G  17   2.578  -6.722  -4.435
  181    H1     G  17           H1         G  17   2.410  -7.973   1.850
  182   1H2     G  17          1H2         G  17   4.408  -8.616   2.545
  183   2H2     G  17          2H2         G  17   5.769  -8.741   1.453
  184   1H5*    C  18          1H5*        C  18   7.220 -11.784  -3.659
  185   2H5*    C  18          2H5*        C  18   6.823 -13.498  -3.897
  186    H4*    C  18           H4*        C  18   7.349 -12.998  -1.539
  187    H3*    C  18           H3*        C  18   4.436 -13.771  -2.118
  188    H2*    C  18           H2*        C  18   4.116 -13.699   0.302
  189   2HO*    C  18          2HO*        C  18   6.438 -14.558   0.520
  190    H1*    C  18           H1*        C  18   5.357 -11.280   0.641
  191   1H4     C  18          1H4         C  18  -0.697  -9.805  -0.626
  192   2H4     C  18          2H4         C  18  -0.358  -9.759  -2.344
  193    H5     C  18           H5         C  18   1.836 -10.389  -3.269
  194    H6     C  18           H6         C  18   4.061 -11.210  -2.707
  195   1H5*    C  19          1H5*        C  19   5.687 -16.333   1.040
  196   2H5*    C  19          2H5*        C  19   5.060 -17.977   0.797
  197    H4*    C  19           H4*        C  19   4.293 -17.010   2.934
  198    H3*    C  19           H3*        C  19   2.105 -17.359   0.823
  199    H2*    C  19           H2*        C  19   0.554 -16.767   2.593
  200   2HO*    C  19          2HO*        C  19   1.623 -17.865   4.312
  201    H1*    C  19           H1*        C  19   2.004 -14.567   3.358
  202   1H4     C  19          1H4         C  19  -1.763 -12.367  -1.252
  203   2H4     C  19          2H4         C  19  -0.645 -12.905  -2.488
  204    H5     C  19           H5         C  19   1.413 -14.150  -1.947
  205    H6     C  19           H6         C  19   2.686 -15.182  -0.141
  206    H3T    C  19           H3T        C  19   3.066 -18.813   3.090
  207   1HC   CH3   8          1HC       CH3   8  -2.883   9.983  -6.023
  208   2HC   CH3   8          2HC       CH3   8  -1.883   8.684  -5.371
  209   3HC   CH3   8          3HC       CH3   8  -1.868  10.276  -4.608
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1  -7.039  -6.158   2.409
    2   2H5*    G   1          2H5*        G   1  -6.294  -7.299   1.271
    3    H4*    G   1           H4*        G   1  -8.130  -8.061   3.572
    4    H3*    G   1           H3*        G   1  -5.077  -8.098   3.333
    5    H2*    G   1           H2*        G   1  -5.117 -10.193   4.605
    6   2HO*    G   1          2HO*        G   1  -6.963  -9.461   5.931
    7    H1*    G   1           H1*        G   1  -6.908 -11.409   3.005
    8    H8     G   1           H8         G   1  -5.703  -9.202   0.376
    9    H1     G   1           H1         G   1  -1.064 -13.227   2.207
   10   1H2     G   1          1H2         G   1  -3.104 -13.813   4.950
   11   2H2     G   1          2H2         G   1  -1.604 -14.176   4.129
   12    H5T    G   1           H5T        G   1  -8.541  -7.985   0.848
   13   1H5*    G   2          2H5*        G   2  -5.646  -9.224   7.321
   14   2H5*    G   2          1H5*        G   2  -4.756  -8.097   8.367
   15    H4*    G   2           H4*        G   2  -4.117 -10.414   8.847
   16    H3*    G   2           H3*        G   2  -1.977  -8.670   7.532
   17    H2*    G   2           H2*        G   2  -0.472 -10.573   7.657
   18   2HO*    G   2          2HO*        G   2  -0.922 -12.333   8.910
   19    H1*    G   2           H1*        G   2  -2.230 -12.394   6.646
   20    H8     G   2           H8         G   2  -3.364  -9.372   4.825
   21    H1     G   2           H1         G   2   2.318 -11.463   2.728
   22   1H2     G   2          1H2         G   2   3.148 -12.947   4.139
   23   2H2     G   2          2H2         G   2   2.339 -13.347   5.637
   24   1H5*    C   3          1H5*        C   3   0.683  -9.749  10.052
   25   2H5*    C   3          2H5*        C   3   1.430  -8.307  10.771
   26    H4*    C   3           H4*        C   3   3.039  -9.480   9.353
   27    H3*    C   3           H3*        C   3   2.060  -6.798   8.230
   28    H2*    C   3           H2*        C   3   3.667  -7.147   6.425
   29   2HO*    C   3          2HO*        C   3   5.230  -8.147   7.964
   30    H1*    C   3           H1*        C   3   2.902  -9.718   5.910
   31   1H4     C   3          1H4         C   3  -2.201  -6.049   3.810
   32   2H4     C   3          2H4         C   3  -1.106  -6.200   2.454
   33    H5     C   3           H5         C   3  -1.622  -6.850   6.062
   34    H6     C   3           H6         C   3   0.079  -7.997   7.382
   35   1H5*    U   4          1H5*        U   4   6.518  -6.565   8.233
   36   2H5*    U   4          2H5*        U   4   6.913  -4.911   8.744
   37    H4*    U   4           H4*        U   4   7.935  -5.442   6.572
   38    H3*    U   4           H3*        U   4   5.645  -3.398   6.402
   39    H2*    U   4           H2*        U   4   6.372  -3.132   4.087
   40   2HO*    U   4          2HO*        U   4   8.389  -3.508   3.561
   41    H1*    U   4           H1*        U   4   6.589  -5.853   3.622
   42    H3     U   4           H3         U   4   2.829  -4.608   1.410
   43    H5     U   4           H5         U   4   1.648  -4.695   5.451
   44    H6     U   4           H6         U   4   3.970  -5.094   6.045
   45   1H5*    G   5          2H5*        G   5   9.219  -2.082   4.487
   46   2H5*    G   5          1H5*        G   5   9.440  -0.325   4.594
   47    H4*    G   5           H4*        G   5   9.442  -1.153   2.253
   48    H3*    G   5           H3*        G   5   7.037   0.623   2.980
   49    H2*    G   5           H2*        G   5   6.601   0.564   0.583
   50   2HO*    G   5          2HO*        G   5   8.240   0.434  -0.741
   51    H1*    G   5           H1*        G   5   7.136  -2.162   0.334
   52    H8     G   5           H8         G   5   5.208  -1.713   3.537
   53    H1     G   5           H1         G   5   1.534  -1.305  -1.702
   54   1H2     G   5          1H2         G   5   4.554  -1.110  -3.399
   55   2H2     G   5          2H2         G   5   2.808  -1.136  -3.504
   56   1H5*    G   6          1H5*        G   6   9.500   1.966  -0.353
   57   2H5*    G   6          2H5*        G   6   9.500   3.725  -0.595
   58    H4*    G   6           H4*        G   6   8.849   2.417  -2.629
   59    H3*    G   6           H3*        G   6   6.706   4.279  -1.447
   60    H2*    G   6           H2*        G   6   5.439   3.717  -3.469
   61   2HO*    G   6          2HO*        G   6   7.466   3.689  -4.772
   62    H1*    G   6           H1*        G   6   5.877   1.014  -3.242
   63    H8     G   6           H8         G   6   5.677   2.141   0.327
   64    H1     G   6           H1         G   6  -0.043   2.023  -2.565
   65   1H2     G   6          1H2         G   6   1.802   1.698  -5.483
   66   2H2     G   6          2H2         G   6   0.221   1.852  -4.753
   67   1H5*    C   7          2H5*        C   7   7.052   5.396  -5.426
   68   2H5*    C   7          1H5*        C   7   6.685   7.109  -5.710
   69    H4*    C   7           H4*        C   7   5.039   5.509  -6.736
   70    H3*    C   7           H3*        C   7   4.007   7.478  -4.617
   71    H2*    C   7           H2*        C   7   1.790   6.591  -5.125
   72   2HO*    C   7          2HO*        C   7   2.582   6.347  -7.487
   73    H1*    C   7           H1*        C   7   2.542   3.961  -5.011
   74   1H4     C   7          1H4         C   7   2.576   5.962   1.301
   75   2H4     C   7          2H4         C   7   0.912   5.568   0.927
   76    H5     C   7           H5         C   7   4.355   5.915  -0.408
   77    H6     C   7           H6         C   7   4.818   5.547  -2.776
   78   1H5*   +U   8          1H5*       +U   8   0.759   7.474  -7.914
   79   2H5*   +U   8          2H5*       +U   8   0.998   9.166  -8.400
   80    H4*   +U   8           H4*       +U   8  -1.376   8.729  -8.057
   81    H3*   +U   8           H3*       +U   8  -0.071  10.509  -5.933
   82    H2*   +U   8           H2*       +U   8  -2.271  10.729  -4.926
   83    H1*   +U   8           H1*       +U   8  -2.862   8.059  -4.977
   84    H3    +U   8           H3        +U   8  -1.525   8.961  -0.709
   85    H5    +U   8           H5        +U   8   2.039   8.265  -2.851
   86    H6    +U   8           H6        +U   8   0.722   8.279  -4.893
   87   1H5*    G   9          2H5*        G   9  -2.512  13.168  -5.802
   88   2H5*    G   9          1H5*        G   9  -2.498  13.833  -7.448
   89    H4*    G   9           H4*        G   9  -3.091  15.538  -5.771
   90    H3*    G   9           H3*        G   9  -1.334  16.100  -7.814
   91    H2*    G   9           H2*        G   9   0.663  15.488  -6.508
   92   2HO*    G   9          2HO*        G   9   0.108  18.271  -6.125
   93    H1*    G   9           H1*        G   9  -0.532  17.122  -4.214
   94    H8     G   9           H8         G   9   0.875  13.504  -4.610
   95    H1     G   9           H1         G   9   3.996  17.287  -0.479
   96   1H2     G   9          1H2         G   9   1.770  19.728  -1.546
   97   2H2     G   9          2H2         G   9   3.142  19.332  -0.539
   98   1H5*    U  10          2H5*        U  10  -5.718  18.479  -5.282
   99   2H5*    U  10          1H5*        U  10  -4.242  18.253  -4.322
  100    H4*    U  10           H4*        U  10  -6.278  17.286  -3.261
  101    H3*    U  10           H3*        U  10  -3.782  15.948  -3.372
  102    H2*    U  10           H2*        U  10  -4.501  14.368  -5.084
  103   2HO*    U  10          2HO*        U  10  -5.372  13.415  -2.535
  104    H1*    U  10           H1*        U  10  -7.232  14.360  -3.702
  105    H3     U  10           H3         U  10  -9.064  11.516  -6.630
  106    H5     U  10           H5         U  10  -6.248  13.557  -9.008
  107    H6     U  10           H6         U  10  -5.603  14.816  -7.031
  108   1H5*    U  11          1H5*        U  11  -5.972  14.012   0.440
  109   2H5*    U  11          2H5*        U  11  -5.667  15.190   1.733
  110    H4*    U  11           H4*        U  11  -5.248  12.893   2.499
  111    H3*    U  11           H3*        U  11  -3.503  14.859   3.175
  112    H2*    U  11           H2*        U  11  -2.261  14.675   1.023
  113   2HO*    U  11          2HO*        U  11  -0.989  13.158   3.091
  114    H1*    U  11           H1*        U  11  -2.093  11.685   1.634
  115    H3     U  11           H3         U  11   0.698  11.462  -1.933
  116    H5     U  11           H5         U  11  -2.926  12.912  -3.512
  117    H6     U  11           H6         U  11  -3.735  13.151  -1.230
  118   1H5*    C  12          1H5*        C  12  -6.411  13.106   4.357
  119   2H5*    C  12          2H5*        C  12  -6.970  11.860   5.490
  120    H4*    C  12           H4*        C  12  -7.800  11.783   3.037
  121    H3*    C  12           H3*        C  12  -7.596   9.652   4.795
  122    H2*    C  12           H2*        C  12  -5.380   8.934   4.122
  123   2HO*    C  12          2HO*        C  12  -7.037   7.295   3.599
  124    H1*    C  12           H1*        C  12  -5.992   9.460   1.200
  125   1H4     C  12          1H4         C  12   0.327   8.943   0.975
  126   2H4     C  12          2H4         C  12   0.504   9.362   2.665
  127    H5     C  12           H5         C  12  -1.403  10.009   4.067
  128    H6     C  12           H6         C  12  -3.820  10.297   4.112
  129   1H5*    G  13          1H5*        G  13  -9.512   8.946   0.554
  130   2H5*    G  13          2H5*        G  13 -10.420   7.455   0.231
  131    H4*    G  13           H4*        G  13  -8.749   8.104  -1.551
  132    H3*    G  13           H3*        G  13  -8.299   5.410  -0.136
  133    H2*    G  13           H2*        G  13  -6.522   5.101  -1.733
  134   2HO*    G  13          2HO*        G  13  -6.510   6.145  -3.694
  135    H1*    G  13           H1*        G  13  -5.862   7.896  -1.893
  136    H8     G  13           H8         G  13  -5.728   6.869   1.690
  137    H1     G  13           H1         G  13  -0.604   4.998  -1.681
  138   1H2     G  13          1H2         G  13  -2.519   5.857  -4.440
  139   2H2     G  13          2H2         G  13  -1.013   5.195  -3.845
  140   1H5*    C  14          1H5*        C  14  -8.513   1.870  -3.694
  141   2H5*    C  14          2H5*        C  14  -7.399   2.428  -2.430
  142    H4*    C  14           H4*        C  14  -7.051   2.905  -5.412
  143    H3*    C  14           H3*        C  14  -5.762   0.852  -3.535
  144    H2*    C  14           H2*        C  14  -3.729   1.130  -4.867
  145   2HO*    C  14          2HO*        C  14  -5.513   2.542  -6.578
  146    H1*    C  14           H1*        C  14  -3.733   3.845  -4.746
  147   1H4     C  14          1H4         C  14  -0.999   1.806   0.657
  148   2H4     C  14          2H4         C  14  -2.514   2.022   1.507
  149    H5     C  14           H5         C  14  -4.581   2.704   0.353
  150    H6     C  14           H6         C  14  -5.565   3.196  -1.823
  151   1H5*    C  15          2H5*        C  15  -4.514   0.200  -7.458
  152   2H5*    C  15          1H5*        C  15  -4.632  -1.506  -7.935
  153    H4*    C  15           H4*        C  15  -2.383  -0.579  -8.363
  154    H3*    C  15           H3*        C  15  -2.523  -2.721  -6.166
  155    H2*    C  15           H2*        C  15  -0.072  -2.580  -6.169
  156   2HO*    C  15          2HO*        C  15  -0.268  -2.053  -8.625
  157    H1*    C  15           H1*        C  15  -0.026   0.138  -5.972
  158   1H4     C  15          1H4         C  15  -0.624  -1.795   0.055
  159   2H4     C  15          2H4         C  15  -2.363  -1.920  -0.112
  160    H5     C  15           H5         C  15  -3.513  -1.459  -2.240
  161    H6     C  15           H6         C  15  -3.185  -0.937  -4.598
  162   1H5*    A  16          1H5*        A  16   0.571  -3.557  -8.791
  163   2H5*    A  16          2H5*        A  16   0.833  -5.289  -9.075
  164    H4*    A  16           H4*        A  16   2.825  -4.139  -8.122
  165    H3*    A  16           H3*        A  16   1.516  -6.248  -6.306
  166    H2*    A  16           H2*        A  16   3.492  -5.909  -4.905
  167   2HO*    A  16          2HO*        A  16   4.935  -5.727  -6.768
  168    H1*    A  16           H1*        A  16   3.391  -3.149  -5.065
  169    H8     A  16           H8         A  16  -0.212  -4.157  -4.929
  170   1H6     A  16          1H6         A  16  -0.636  -4.845  -0.127
  171   2H6     A  16          2H6         A  16   0.514  -4.800   1.191
  172    H2     A  16           H2         A  16   4.566  -4.437  -0.644
  173   1H5*    G  17          1H5*        G  17   5.709  -7.437  -6.992
  174   2H5*    G  17          2H5*        G  17   5.786  -9.206  -7.115
  175    H4*    G  17           H4*        G  17   7.285  -8.328  -5.355
  176    H3*    G  17           H3*        G  17   4.915 -10.024  -4.393
  177    H2*    G  17           H2*        G  17   5.887  -9.810  -2.161
  178   2HO*    G  17          2HO*        G  17   8.111  -9.944  -3.082
  179    H1*    G  17           H1*        G  17   6.242  -7.107  -2.308
  180    H8     G  17           H8         G  17   3.203  -7.821  -4.442
  181    H1     G  17           H1         G  17   1.970  -7.817   1.850
  182   1H2     G  17          1H2         G  17   3.878  -7.930   2.982
  183   2H2     G  17          2H2         G  17   5.423  -7.723   2.186
  184   1H5*    C  18          2H5*        C  18   8.419 -12.323  -2.864
  185   2H5*    C  18          1H5*        C  18   8.074 -14.030  -3.209
  186    H4*    C  18           H4*        C  18   8.475 -13.645  -0.805
  187    H3*    C  18           H3*        C  18   5.620 -14.458  -1.578
  188    H2*    C  18           H2*        C  18   5.142 -14.488   0.814
  189   2HO*    C  18          2HO*        C  18   7.475 -15.303   1.142
  190    H1*    C  18           H1*        C  18   6.300 -12.066   1.340
  191   1H4     C  18          1H4         C  18   0.293 -10.758  -0.303
  192   2H4     C  18          2H4         C  18   0.815 -10.392  -1.933
  193    H5     C  18           H5         C  18   3.087 -10.918  -2.734
  194    H6     C  18           H6         C  18   5.283 -11.733  -2.058
  195   1H5*    C  19          1H5*        C  19   6.598 -16.908   1.660
  196   2H5*    C  19          2H5*        C  19   6.049 -18.573   1.381
  197    H4*    C  19           H4*        C  19   5.024 -17.609   3.402
  198    H3*    C  19           H3*        C  19   3.078 -18.008   1.072
  199    H2*    C  19           H2*        C  19   1.344 -17.459   2.682
  200   2HO*    C  19          2HO*        C  19   2.877 -18.537   4.415
  201    H1*    C  19           H1*        C  19   2.672 -15.232   3.594
  202   1H4     C  19          1H4         C  19  -0.682 -13.015  -1.308
  203   2H4     C  19          2H4         C  19   0.469 -13.649  -2.464
  204    H5     C  19           H5         C  19   2.476 -14.900  -1.762
  205    H6     C  19           H6         C  19   3.616 -15.905   0.146
  206    H3T    C  19           H3T        C  19   2.649 -19.900   2.226
  207   1HC   CH3   8          1HC       CH3   8  -5.397  10.348  -6.372
  208   2HC   CH3   8          2HC       CH3   8  -4.611   9.713  -4.924
  209   3HC   CH3   8          3HC       CH3   8  -4.361  11.396  -5.399
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1  -8.778  -6.399   3.627
    2   2H5*    G   1          2H5*        G   1  -8.139  -7.495   2.384
    3    H4*    G   1           H4*        G   1  -9.166  -8.351   5.114
    4    H3*    G   1           H3*        G   1  -6.314  -7.902   4.087
    5    H2*    G   1           H2*        G   1  -5.663  -9.819   5.467
    6   2HO*    G   1          2HO*        G   1  -7.307  -9.193   7.136
    7    H1*    G   1           H1*        G   1  -7.562 -11.469   4.481
    8    H8     G   1           H8         G   1  -7.339  -9.417   1.469
    9    H1     G   1           H1         G   1  -1.867 -12.608   2.443
   10   1H2     G   1          1H2         G   1  -3.132 -13.149   5.627
   11   2H2     G   1          2H2         G   1  -1.813 -13.401   4.506
   12    H5T    G   1           H5T        G   1 -10.258  -8.594   2.623
   13   1H5*    G   2          1H5*        G   2  -5.756  -8.794   8.139
   14   2H5*    G   2          2H5*        G   2  -4.849  -7.465   8.891
   15    H4*    G   2           H4*        G   2  -3.779  -9.632   9.331
   16    H3*    G   2           H3*        G   2  -2.225  -7.750   7.473
   17    H2*    G   2           H2*        G   2  -0.454  -9.429   7.505
   18   2HO*    G   2          2HO*        G   2  -0.924  -9.900   9.829
   19    H1*    G   2           H1*        G   2  -2.108 -11.548   7.005
   20    H8     G   2           H8         G   2  -3.908  -8.927   5.116
   21    H1     G   2           H1         G   2   1.587 -10.591   2.266
   22   1H2     G   2          1H2         G   2   2.864 -11.713   3.683
   23   2H2     G   2          2H2         G   2   2.313 -12.125   5.291
   24   1H5*    C   3          2H5*        C   3   0.785  -8.541  10.348
   25   2H5*    C   3          1H5*        C   3   1.551  -7.000  10.785
   26    H4*    C   3           H4*        C   3   3.184  -8.558   9.814
   27    H3*    C   3           H3*        C   3   2.516  -6.117   8.077
   28    H2*    C   3           H2*        C   3   4.249  -6.929   6.561
   29   2HO*    C   3          2HO*        C   3   5.555  -7.677   8.473
   30    H1*    C   3           H1*        C   3   3.345  -9.511   6.519
   31   1H4     C   3          1H4         C   3   0.049  -6.563   1.956
   32   2H4     C   3          2H4         C   3  -1.214  -6.148   3.093
   33    H5     C   3           H5         C   3  -1.022  -6.624   5.502
   34    H6     C   3           H6         C   3   0.434  -7.545   7.229
   35   1H5*    U   4          2H5*        U   4   6.817  -6.275   8.102
   36   2H5*    U   4          1H5*        U   4   7.394  -4.631   8.442
   37    H4*    U   4           H4*        U   4   8.361  -5.482   6.356
   38    H3*    U   4           H3*        U   4   6.295  -3.242   5.962
   39    H2*    U   4           H2*        U   4   6.979  -3.304   3.619
   40   2HO*    U   4          2HO*        U   4   8.969  -3.862   3.183
   41    H1*    U   4           H1*        U   4   6.847  -6.045   3.421
   42    H3     U   4           H3         U   4   3.098  -4.514   1.347
   43    H5     U   4           H5         U   4   2.173  -4.320   5.452
   44    H6     U   4           H6         U   4   4.487  -4.892   5.925
   45   1H5*    G   5          2H5*        G   5   9.818  -2.319   3.799
   46   2H5*    G   5          1H5*        G   5  10.169  -0.580   3.846
   47    H4*    G   5           H4*        G   5   9.936  -1.444   1.531
   48    H3*    G   5           H3*        G   5   7.733   0.511   2.414
   49    H2*    G   5           H2*        G   5   7.051   0.435   0.080
   50   2HO*    G   5          2HO*        G   5   8.485   0.071  -1.438
   51    H1*    G   5           H1*        G   5   7.356  -2.323  -0.158
   52    H8     G   5           H8         G   5   5.848  -1.723   3.234
   53    H1     G   5           H1         G   5   1.635  -1.049  -1.556
   54   1H2     G   5          1H2         G   5   4.448  -1.093  -3.590
   55   2H2     G   5          2H2         G   5   2.703  -0.995  -3.496
   56   1H5*    G   6          2H5*        G   6   9.722   1.507  -1.310
   57   2H5*    G   6          1H5*        G   6   9.926   3.260  -1.505
   58    H4*    G   6           H4*        G   6   8.838   2.185  -3.466
   59    H3*    G   6           H3*        G   6   7.095   4.157  -1.880
   60    H2*    G   6           H2*        G   6   5.480   3.852  -3.677
   61   2HO*    G   6          2HO*        G   6   6.074   3.176  -5.630
   62    H1*    G   6           H1*        G   6   5.774   1.097  -3.802
   63    H8     G   6           H8         G   6   5.969   1.984  -0.150
   64    H1     G   6           H1         G   6  -0.004   2.144  -2.480
   65   1H2     G   6          1H2         G   6   1.555   1.959  -5.576
   66   2H2     G   6          2H2         G   6   0.050   2.067  -4.693
   67   1H5*    C   7          1H5*        C   7   6.903   4.883  -6.012
   68   2H5*    C   7          2H5*        C   7   6.864   6.614  -6.405
   69    H4*    C   7           H4*        C   7   4.921   5.377  -7.335
   70    H3*    C   7           H3*        C   7   4.326   7.486  -5.189
   71    H2*    C   7           H2*        C   7   1.976   7.000  -5.558
   72   2HO*    C   7          2HO*        C   7   1.460   6.585  -7.567
   73    H1*    C   7           H1*        C   7   2.249   4.259  -5.603
   74   1H4     C   7          1H4         C   7   1.036   5.548   0.484
   75   2H4     C   7          2H4         C   7   2.711   5.960   0.783
   76    H5     C   7           H5         C   7   4.388   6.053  -1.020
   77    H6     C   7           H6         C   7   4.739   5.763  -3.417
   78   1H5*   +U   8          1H5*       +U   8   1.615   9.429  -9.317
   79   2H5*   +U   8          2H5*       +U   8   1.910   7.754  -8.806
   80    H4*   +U   8           H4*       +U   8  -0.478   8.102  -9.155
   81    H3*   +U   8           H3*       +U   8  -0.135  10.464  -7.238
   82    H2*   +U   8           H2*       +U   8  -2.347   9.958  -6.366
   83    H1*   +U   8           H1*       +U   8  -1.944   7.275  -6.082
   84    H3    +U   8           H3        +U   8  -1.384   8.926  -1.886
   85    H5    +U   8           H5        +U   8   2.298   9.650  -3.804
   86    H6    +U   8           H6        +U   8   1.263   8.952  -5.886
   87   1H5*    G   9          1H5*        G   9  -2.857  12.291  -7.193
   88   2H5*    G   9          2H5*        G   9  -2.961  13.371  -8.599
   89    H4*    G   9           H4*        G   9  -3.392  14.572  -6.486
   90    H3*    G   9           H3*        G   9  -1.858  15.718  -8.410
   91    H2*    G   9           H2*        G   9   0.219  14.593  -7.700
   92   2HO*    G   9          2HO*        G   9   0.022  17.157  -6.445
   93    H1*    G   9           H1*        G   9  -0.367  15.505  -4.847
   94    H8     G   9           H8         G   9   0.923  12.596  -7.114
   95    H1     G   9           H1         G   9   3.428  12.877  -1.219
   96   1H2     G   9          1H2         G   9   1.201  15.501  -0.756
   97   2H2     G   9          2H2         G   9   2.469  14.513  -0.070
   98   1H5*    U  10          1H5*        U  10  -6.209  17.845  -5.903
   99   2H5*    U  10          2H5*        U  10  -5.102  18.168  -4.552
  100    H4*    U  10           H4*        U  10  -7.167  17.080  -3.788
  101    H3*    U  10           H3*        U  10  -4.599  16.138  -3.018
  102    H2*    U  10           H2*        U  10  -4.733  14.145  -4.418
  103   2HO*    U  10          2HO*        U  10  -6.111  13.634  -1.964
  104    H1*    U  10           H1*        U  10  -7.710  14.078  -3.689
  105    H3     U  10           H3         U  10  -8.303  10.210  -5.890
  106    H5     U  10           H5         U  10  -5.754  12.358  -8.467
  107    H6     U  10           H6         U  10  -5.673  14.122  -6.794
  108   1H5*    U  11          1H5*        U  11  -6.659  14.060   0.556
  109   2H5*    U  11          2H5*        U  11  -6.437  15.277   1.829
  110    H4*    U  11           H4*        U  11  -5.630  13.082   2.555
  111    H3*    U  11           H3*        U  11  -4.105  15.321   3.025
  112    H2*    U  11           H2*        U  11  -2.912  15.082   0.845
  113   2HO*    U  11          2HO*        U  11  -1.457  13.861   2.987
  114    H1*    U  11           H1*        U  11  -2.556  12.171   1.737
  115    H3     U  11           H3         U  11   0.391  11.669  -1.660
  116    H5     U  11           H5         U  11  -3.218  12.752  -3.537
  117    H6     U  11           H6         U  11  -4.126  13.242  -1.334
  118   1H5*    C  12          1H5*        C  12  -6.737  13.167   4.308
  119   2H5*    C  12          2H5*        C  12  -7.160  11.949   5.526
  120    H4*    C  12           H4*        C  12  -7.747  11.494   3.041
  121    H3*    C  12           H3*        C  12  -7.124   9.603   5.082
  122    H2*    C  12           H2*        C  12  -4.941   9.057   4.194
  123   2HO*    C  12          2HO*        C  12  -6.433   7.225   3.887
  124    H1*    C  12           H1*        C  12  -6.023   9.518   1.376
  125   1H4     C  12          1H4         C  12   0.156   9.166  -0.057
  126   2H4     C  12          2H4         C  12   0.639   9.516   1.587
  127    H5     C  12           H5         C  12  -0.977  10.071   3.345
  128    H6     C  12           H6         C  12  -3.347  10.290   3.863
  129   1H5*    G  13          1H5*        G  13  -9.404   8.520   1.168
  130   2H5*    G  13          2H5*        G  13 -10.204   6.950   0.956
  131    H4*    G  13           H4*        G  13  -8.838   7.741  -1.020
  132    H3*    G  13           H3*        G  13  -7.984   5.100   0.304
  133    H2*    G  13           H2*        G  13  -6.406   4.935  -1.520
  134   2HO*    G  13          2HO*        G  13  -7.711   5.369  -3.262
  135    H1*    G  13           H1*        G  13  -5.921   7.741  -1.671
  136    H8     G  13           H8         G  13  -5.420   6.859   1.889
  137    H1     G  13           H1         G  13  -0.573   4.952  -1.853
  138   1H2     G  13          1H2         G  13  -2.780   5.584  -4.456
  139   2H2     G  13          2H2         G  13  -1.186   5.042  -3.979
  140   1H5*    C  14          2H5*        C  14  -8.459   1.083  -1.904
  141   2H5*    C  14          1H5*        C  14  -6.981   1.434  -0.988
  142    H4*    C  14           H4*        C  14  -7.646   2.245  -3.832
  143    H3*    C  14           H3*        C  14  -5.551   0.418  -2.570
  144    H2*    C  14           H2*        C  14  -3.962   1.161  -4.263
  145   2HO*    C  14          2HO*        C  14  -5.960   1.361  -5.795
  146    H1*    C  14           H1*        C  14  -4.365   3.803  -3.897
  147   1H4     C  14          1H4         C  14  -0.516   1.860   0.863
  148   2H4     C  14          2H4         C  14  -1.844   2.117   1.974
  149    H5     C  14           H5         C  14  -4.093   2.753   1.205
  150    H6     C  14           H6         C  14  -5.483   3.128  -0.757
  151   1H5*    C  15          1H5*        C  15  -4.983  -0.012  -6.683
  152   2H5*    C  15          2H5*        C  15  -5.071  -1.730  -7.122
  153    H4*    C  15           H4*        C  15  -2.996  -0.722  -7.953
  154    H3*    C  15           H3*        C  15  -2.631  -2.738  -5.669
  155    H2*    C  15           H2*        C  15  -0.223  -2.441  -6.039
  156   2HO*    C  15          2HO*        C  15  -0.673  -2.133  -8.432
  157    H1*    C  15           H1*        C  15  -0.330   0.269  -5.928
  158   1H4     C  15          1H4         C  15  -1.889  -1.589   0.245
  159   2H4     C  15          2H4         C  15  -0.145  -1.445   0.201
  160    H5     C  15           H5         C  15  -3.286  -1.242  -1.746
  161    H6     C  15           H6         C  15  -3.251  -0.823  -4.146
  162   1H5*    A  16          1H5*        A  16   0.065  -3.758  -8.633
  163   2H5*    A  16          2H5*        A  16   0.281  -5.511  -8.809
  164    H4*    A  16           H4*        A  16   2.383  -4.349  -8.198
  165    H3*    A  16           H3*        A  16   1.259  -6.227  -6.038
  166    H2*    A  16           H2*        A  16   3.404  -5.815  -4.925
  167   2HO*    A  16          2HO*        A  16   4.579  -5.787  -7.000
  168    H1*    A  16           H1*        A  16   3.270  -3.093  -5.250
  169    H8     A  16           H8         A  16  -0.324  -3.973  -4.787
  170   1H6     A  16          1H6         A  16  -0.410  -4.482   0.049
  171   2H6     A  16          2H6         A  16   0.836  -4.453   1.277
  172    H2     A  16           H2         A  16   4.751  -4.302  -0.862
  173   1H5*    G  17          1H5*        G  17   5.345  -7.648  -7.100
  174   2H5*    G  17          2H5*        G  17   5.285  -9.421  -7.168
  175    H4*    G  17           H4*        G  17   7.088  -8.616  -5.685
  176    H3*    G  17           H3*        G  17   4.771 -10.060  -4.276
  177    H2*    G  17           H2*        G  17   6.140  -9.881  -2.262
  178   2HO*    G  17          2HO*        G  17   8.127 -10.228  -3.686
  179    H1*    G  17           H1*        G  17   6.769  -7.229  -2.641
  180    H8     G  17           H8         G  17   3.294  -7.389  -3.978
  181    H1     G  17           H1         G  17   3.482  -7.744   2.418
  182   1H2     G  17          1H2         G  17   6.872  -8.321   1.962
  183   2H2     G  17          2H2         G  17   5.544  -8.178   3.090
  184   1H5*    C  18          2H5*        C  18   8.032 -12.375  -2.789
  185   2H5*    C  18          1H5*        C  18   7.542 -14.076  -2.926
  186    H4*    C  18           H4*        C  18   8.005 -13.469  -0.591
  187    H3*    C  18           H3*        C  18   5.065 -14.053  -1.241
  188    H2*    C  18           H2*        C  18   4.638 -13.763   1.144
  189   2HO*    C  18          2HO*        C  18   7.487 -13.802   1.295
  190    H1*    C  18           H1*        C  18   6.045 -11.429   1.375
  191   1H4     C  18          1H4         C  18   0.643  -9.744  -2.069
  192   2H4     C  18          2H4         C  18   0.212  -9.615  -0.377
  193    H5     C  18           H5         C  18   2.807 -10.663  -2.809
  194    H6     C  18           H6         C  18   4.930 -11.593  -2.047
  195   1H5*    C  19          1H5*        C  19   5.811 -16.269   2.375
  196   2H5*    C  19          2H5*        C  19   5.244 -17.926   2.077
  197    H4*    C  19           H4*        C  19   4.195 -17.013   4.088
  198    H3*    C  19           H3*        C  19   2.270 -17.217   1.715
  199    H2*    C  19           H2*        C  19   0.539 -16.673   3.323
  200   2HO*    C  19          2HO*        C  19   1.744 -17.955   5.031
  201    H1*    C  19           H1*        C  19   1.964 -14.568   4.388
  202   1H4     C  19          1H4         C  19  -1.321 -11.962  -0.380
  203   2H4     C  19          2H4         C  19  -0.084 -12.414  -1.535
  204    H5     C  19           H5         C  19   1.868 -13.781  -0.906
  205    H6     C  19           H6         C  19   2.946 -14.970   0.932
  206    H3T    C  19           H3T        C  19   3.293 -19.142   2.664
  207   1HC   CH3   8          1HC       CH3   8  -3.710  10.567  -8.426
  208   2HC   CH3   8          2HC       CH3   8  -4.837   9.218  -8.601
  209   3HC   CH3   8          3HC       CH3   8  -4.416   9.813  -6.992
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1 -10.232  -7.071   2.502
    2   2H5*    G   1          2H5*        G   1  -9.415  -8.210   1.414
    3    H4*    G   1           H4*        G   1 -10.469  -8.881   4.185
    4    H3*    G   1           H3*        G   1  -7.641  -8.216   3.212
    5    H2*    G   1           H2*        G   1  -6.839  -9.895   4.806
    6   2HO*    G   1          2HO*        G   1  -8.581  -9.316   6.365
    7    H1*    G   1           H1*        G   1  -8.487 -11.848   3.934
    8    H8     G   1           H8         G   1  -8.364  -9.993   0.767
    9    H1     G   1           H1         G   1  -2.679 -12.620   2.122
   10   1H2     G   1          1H2         G   1  -2.636 -13.280   4.234
   11   2H2     G   1          2H2         G   1  -4.006 -13.057   5.298
   12    H5T    G   1           H5T        G   1 -11.401  -9.517   1.685
   13   1H5*    G   2          2H5*        G   2  -7.319  -8.462   7.398
   14   2H5*    G   2          1H5*        G   2  -6.482  -7.033   8.037
   15    H4*    G   2           H4*        G   2  -5.399  -9.131   8.754
   16    H3*    G   2           H3*        G   2  -3.776  -7.372   6.834
   17    H2*    G   2           H2*        G   2  -1.965  -8.981   7.160
   18   2HO*    G   2          2HO*        G   2  -2.588  -9.250   9.475
   19    H1*    G   2           H1*        G   2  -3.523 -11.189   6.744
   20    H8     G   2           H8         G   2  -5.211  -8.764   4.494
   21    H1     G   2           H1         G   2   0.480 -10.635   2.214
   22   1H2     G   2          1H2         G   2   1.000 -11.853   5.419
   23   2H2     G   2          2H2         G   2   1.630 -11.662   3.799
   24   1H5*    C   3          1H5*        C   3  -1.065  -8.031   9.964
   25   2H5*    C   3          2H5*        C   3  -0.223  -6.523  10.372
   26    H4*    C   3           H4*        C   3   1.354  -8.268   9.644
   27    H3*    C   3           H3*        C   3   1.047  -5.889   7.729
   28    H2*    C   3           H2*        C   3   2.847  -6.922   6.438
   29   2HO*    C   3          2HO*        C   3   3.921  -7.649   8.478
   30    H1*    C   3           H1*        C   3   1.734  -9.421   6.440
   31   1H4     C   3          1H4         C   3  -2.171  -5.885   2.418
   32   2H4     C   3          2H4         C   3  -0.896  -6.549   1.419
   33    H5     C   3           H5         C   3  -2.241  -6.229   4.857
   34    H6     C   3           H6         C   3  -1.035  -7.156   6.762
   35   1H5*    U   4          2H5*        U   4   5.230  -6.320   8.486
   36   2H5*    U   4          1H5*        U   4   6.018  -4.735   8.612
   37    H4*    U   4           H4*        U   4   6.989  -6.126   6.810
   38    H3*    U   4           H3*        U   4   5.479  -3.618   5.877
   39    H2*    U   4           H2*        U   4   6.330  -4.189   3.653
   40   2HO*    U   4          2HO*        U   4   8.396  -4.989   4.682
   41    H1*    U   4           H1*        U   4   5.588  -6.825   3.811
   42    H3     U   4           H3         U   4   2.420  -4.799   1.233
   43    H5     U   4           H5         U   4   1.252  -3.977   5.195
   44    H6     U   4           H6         U   4   3.365  -4.923   5.936
   45   1H5*    G   5          1H5*        G   5   9.143  -3.623   3.841
   46   2H5*    G   5          2H5*        G   5   9.888  -2.016   3.939
   47    H4*    G   5           H4*        G   5   9.667  -2.754   1.605
   48    H3*    G   5           H3*        G   5   7.784  -0.445   2.361
   49    H2*    G   5           H2*        G   5   7.290  -0.370  -0.022
   50   2HO*    G   5          2HO*        G   5   9.243  -0.636  -0.986
   51    H1*    G   5           H1*        G   5   7.094  -3.131  -0.302
   52    H8     G   5           H8         G   5   5.481  -2.419   2.991
   53    H1     G   5           H1         G   5   1.824  -0.687  -1.984
   54   1H2     G   5          1H2         G   5   4.726  -1.113  -3.837
   55   2H2     G   5          2H2         G   5   3.027  -0.695  -3.842
   56   1H5*    G   6          2H5*        G   6  10.465   0.750  -0.930
   57   2H5*    G   6          1H5*        G   6  10.849   2.480  -0.833
   58    H4*    G   6           H4*        G   6   9.854   1.824  -3.019
   59    H3*    G   6           H3*        G   6   8.162   3.718  -1.287
   60    H2*    G   6           H2*        G   6   6.700   3.850  -3.229
   61   2HO*    G   6          2HO*        G   6   7.413   3.429  -5.210
   62    H1*    G   6           H1*        G   6   6.763   1.128  -3.767
   63    H8     G   6           H8         G   6   6.657   1.454  -0.013
   64    H1     G   6           H1         G   6   0.996   2.542  -2.826
   65   1H2     G   6          1H2         G   6   2.843   2.628  -5.762
   66   2H2     G   6          2H2         G   6   1.269   2.751  -5.011
   67   1H5*    C   7          1H5*        C   7   8.576   5.051  -5.229
   68   2H5*    C   7          2H5*        C   7   8.619   6.815  -5.427
   69    H4*    C   7           H4*        C   7   6.753   5.722  -6.674
   70    H3*    C   7           H3*        C   7   6.011   7.691  -4.442
   71    H2*    C   7           H2*        C   7   3.685   7.331  -5.102
   72   2HO*    C   7          2HO*        C   7   4.668   6.999  -7.450
   73    H1*    C   7           H1*        C   7   3.849   4.606  -5.171
   74   1H4     C   7          1H4         C   7   2.503   5.686   0.929
   75   2H4     C   7          2H4         C   7   4.179   6.032   1.293
   76    H5     C   7           H5         C   7   5.924   6.064  -0.447
   77    H6     C   7           H6         C   7   6.338   5.863  -2.841
   78   1H5*   +U   8          1H5*       +U   8   3.880   8.461  -7.719
   79   2H5*   +U   8          2H5*       +U   8   3.391  10.122  -8.106
   80    H4*   +U   8           H4*       +U   8   1.507   8.513  -7.531
   81    H3*   +U   8           H3*       +U   8   1.874  11.112  -5.952
   82    H2*   +U   8           H2*       +U   8  -0.078  10.487  -4.658
   83    H1*   +U   8           H1*       +U   8   0.622   7.860  -4.282
   84    H3    +U   8           H3        +U   8   1.318  10.179  -0.377
   85    H5    +U   8           H5        +U   8   4.916  10.479  -2.548
   86    H6    +U   8           H6        +U   8   3.752   9.527  -4.460
   87   1H5*    G   9          2H5*        G   9  -2.151  11.158  -6.204
   88   2H5*    G   9          1H5*        G   9  -2.400  11.729  -7.866
   89    H4*    G   9           H4*        G   9  -4.234  12.357  -6.274
   90    H3*    G   9           H3*        G   9  -3.260  14.055  -8.268
   91    H2*    G   9           H2*        G   9  -1.731  15.214  -6.716
   92   2HO*    G   9          2HO*        G   9  -4.281  16.513  -6.736
   93    H1*    G   9           H1*        G   9  -4.119  15.182  -4.789
   94    H8     G   9           H8         G   9  -0.243  15.384  -5.134
   95    H1     G   9           H1         G   9  -2.656  17.300   0.491
   96   1H2     G   9          1H2         G   9  -5.676  16.170  -0.797
   97   2H2     G   9          2H2         G   9  -4.835  16.901   0.549
   98   1H5*    U  10          2H5*        U  10  -8.494  12.760  -6.529
   99   2H5*    U  10          1H5*        U  10  -7.473  13.602  -5.345
  100    H4*    U  10           H4*        U  10  -8.675  11.621  -4.402
  101    H3*    U  10           H3*        U  10  -5.610  11.547  -4.451
  102    H2*    U  10           H2*        U  10  -5.752   9.418  -3.343
  103   2HO*    U  10          2HO*        U  10  -7.584   8.780  -2.240
  104    H1*    U  10           H1*        U  10  -8.015   8.482  -4.717
  105    H3     U  10           H3         U  10  -5.181   5.614  -6.652
  106    H5     U  10           H5         U  10  -3.390   9.341  -7.457
  107    H6     U  10           H6         U  10  -5.162  10.387  -6.160
  108   1H5*    U  11          2H5*        U  11  -4.922  10.645  -0.925
  109   2H5*    U  11          1H5*        U  11  -5.798  11.939  -0.086
  110    H4*    U  11           H4*        U  11  -3.917  11.052   1.255
  111    H3*    U  11           H3*        U  11  -4.431  13.763   1.085
  112    H2*    U  11           H2*        U  11  -2.892  14.088  -0.817
  113   2HO*    U  11          2HO*        U  11  -0.844  14.794   0.466
  114    H1*    U  11           H1*        U  11  -0.916  12.393   0.787
  115    H3     U  11           H3         U  11   2.301  13.092  -2.250
  116    H5     U  11           H5         U  11  -1.109  12.447  -4.634
  117    H6     U  11           H6         U  11  -2.419  12.312  -2.598
  118   1H5*    C  12          1H5*        C  12  -5.283  12.065   2.641
  119   2H5*    C  12          2H5*        C  12  -6.255  11.968   4.122
  120    H4*    C  12           H4*        C  12  -5.695   9.732   3.312
  121    H3*    C  12           H3*        C  12  -5.370  10.351   5.985
  122    H2*    C  12           H2*        C  12  -3.010  11.072   5.538
  123   2HO*    C  12          2HO*        C  12  -2.863   8.336   6.359
  124    H1*    C  12           H1*        C  12  -2.903   8.365   4.138
  125   1H4     C  12          1H4         C  12   2.775  11.221   2.351
  126   2H4     C  12          2H4         C  12   3.208   9.848   3.345
  127    H5     C  12           H5         C  12   0.445  11.957   2.078
  128    H6     C  12           H6         C  12  -1.872  11.475   2.652
  129   1H5*    G  13          2H5*        G  13  -7.395   9.067   2.711
  130   2H5*    G  13          1H5*        G  13  -7.968   7.487   2.144
  131    H4*    G  13           H4*        G  13  -6.819   9.106   0.450
  132    H3*    G  13           H3*        G  13  -5.969   6.162   0.702
  133    H2*    G  13           H2*        G  13  -4.537   6.630  -1.209
  134   2HO*    G  13          2HO*        G  13  -5.855   9.160  -1.384
  135    H1*    G  13           H1*        G  13  -3.710   9.148  -0.283
  136    H8     G  13           H8         G  13  -3.428   7.333   2.823
  137    H1     G  13           H1         G  13   0.884   5.227  -1.419
  138   1H2     G  13          1H2         G  13  -1.136   6.805  -3.754
  139   2H2     G  13          2H2         G  13   0.304   5.858  -3.456
  140   1H5*    C  14          1H5*        C  14  -7.330   3.424  -3.213
  141   2H5*    C  14          2H5*        C  14  -5.958   3.625  -2.104
  142    H4*    C  14           H4*        C  14  -6.096   4.580  -4.985
  143    H3*    C  14           H3*        C  14  -4.704   2.196  -3.678
  144    H2*    C  14           H2*        C  14  -2.791   2.594  -5.146
  145   2HO*    C  14          2HO*        C  14  -4.099   3.230  -6.983
  146    H1*    C  14           H1*        C  14  -2.531   5.204  -4.545
  147   1H4     C  14          1H4         C  14   0.023   1.954   0.366
  148   2H4     C  14          2H4         C  14  -1.356   2.414   1.343
  149    H5     C  14           H5         C  14  -3.264   3.660   0.414
  150    H6     C  14           H6         C  14  -4.228   4.572  -1.631
  151   1H5*    C  15          2H5*        C  15  -4.066   1.502  -7.763
  152   2H5*    C  15          1H5*        C  15  -4.309  -0.210  -8.161
  153    H4*    C  15           H4*        C  15  -1.997   0.573  -8.630
  154    H3*    C  15           H3*        C  15  -2.290  -1.540  -6.419
  155    H2*    C  15           H2*        C  15   0.165  -1.583  -6.431
  156   2HO*    C  15          2HO*        C  15   0.073  -1.123  -8.865
  157    H1*    C  15           H1*        C  15   0.411   1.126  -6.245
  158   1H4     C  15          1H4         C  15  -2.040  -0.726  -0.367
  159   2H4     C  15          2H4         C  15  -0.297  -0.809  -0.228
  160    H5     C  15           H5         C  15  -3.166  -0.161  -2.484
  161    H6     C  15           H6         C  15  -2.813   0.345  -4.844
  162   1H5*    A  16          2H5*        A  16   0.758  -2.716  -8.963
  163   2H5*    A  16          1H5*        A  16   0.755  -4.462  -9.281
  164    H4*    A  16           H4*        A  16   2.893  -3.663  -8.301
  165    H3*    A  16           H3*        A  16   1.251  -5.550  -6.512
  166    H2*    A  16           H2*        A  16   3.244  -5.539  -5.091
  167   2HO*    A  16          2HO*        A  16   4.688  -5.516  -6.998
  168    H1*    A  16           H1*        A  16   3.543  -2.801  -5.177
  169    H8     A  16           H8         A  16  -0.158  -3.131  -5.193
  170   1H6     A  16          1H6         A  16   0.163  -4.286   0.885
  171   2H6     A  16          2H6         A  16  -0.917  -4.043  -0.470
  172    H2     A  16           H2         A  16   4.284  -4.619  -0.796
  173   1H5*    G  17          2H5*        G  17   5.256  -7.320  -6.994
  174   2H5*    G  17          1H5*        G  17   5.033  -9.057  -7.282
  175    H4*    G  17           H4*        G  17   6.591  -8.634  -5.418
  176    H3*    G  17           H3*        G  17   3.908  -9.890  -4.604
  177    H2*    G  17           H2*        G  17   4.914 -10.086  -2.382
  178   2HO*    G  17          2HO*        G  17   7.050 -10.610  -3.326
  179    H1*    G  17           H1*        G  17   5.855  -7.507  -2.335
  180    H8     G  17           H8         G  17   2.684  -7.181  -4.290
  181    H1     G  17           H1         G  17   1.663  -7.986   1.985
  182   1H2     G  17          1H2         G  17   5.009  -8.898   2.080
  183   2H2     G  17          2H2         G  17   3.518  -8.682   2.970
  184   1H5*    C  18          1H5*        C  18   6.918 -12.489  -2.995
  185   2H5*    C  18          2H5*        C  18   6.402 -14.179  -3.168
  186    H4*    C  18           H4*        C  18   6.811 -13.559  -0.806
  187    H3*    C  18           H3*        C  18   3.901 -14.197  -1.548
  188    H2*    C  18           H2*        C  18   3.426 -13.960   0.835
  189   2HO*    C  18          2HO*        C  18   5.638 -14.956   1.290
  190    H1*    C  18           H1*        C  18   4.802 -11.605   1.127
  191   1H4     C  18          1H4         C  18  -1.057  -9.837  -0.583
  192   2H4     C  18          2H4         C  18  -0.622  -9.914  -2.277
  193    H5     C  18           H5         C  18   1.567 -10.758  -3.037
  194    H6     C  18           H6         C  18   3.699 -11.680  -2.296
  195   1H5*    C  19          1H5*        C  19   4.841 -16.629   1.843
  196   2H5*    C  19          2H5*        C  19   4.105 -18.237   1.680
  197    H4*    C  19           H4*        C  19   3.333 -17.068   3.714
  198    H3*    C  19           H3*        C  19   1.199 -17.415   1.547
  199    H2*    C  19           H2*        C  19  -0.361 -16.614   3.227
  200   2HO*    C  19          2HO*        C  19   1.159 -17.732   4.929
  201    H1*    C  19           H1*        C  19   1.218 -14.470   3.902
  202   1H4     C  19          1H4         C  19  -2.299 -12.313  -0.919
  203   2H4     C  19          2H4         C  19  -1.211 -13.019  -2.096
  204    H5     C  19           H5         C  19   0.718 -14.405  -1.438
  205    H6     C  19           H6         C  19   1.891 -15.397   0.457
  206    H3T    C  19           H3T        C  19   0.689 -19.190   2.839
  207   1HC   CH3   8          1HC       CH3   8  -2.570   9.514  -4.986
  208   2HC   CH3   8          2HC       CH3   8  -2.282   7.789  -5.221
  209   3HC   CH3   8          3HC       CH3   8  -1.365   8.680  -4.004
  Start of MODEL   12
    1   1H5*    G   1          2H5*        G   1  -7.691  -9.150   1.594
    2   2H5*    G   1          1H5*        G   1  -9.415  -9.474   1.864
    3    H4*    G   1           H4*        G   1  -8.977 -10.021   4.207
    4    H3*    G   1           H3*        G   1  -6.095  -9.219   3.560
    5    H2*    G   1           H2*        G   1  -5.373 -11.007   5.063
    6   2HO*    G   1          2HO*        G   1  -7.273 -10.581   6.505
    7    H1*    G   1           H1*        G   1  -6.893 -12.925   3.921
    8    H8     G   1           H8         G   1  -6.610 -10.964   0.871
    9    H1     G   1           H1         G   1  -0.880 -13.253   2.602
   10   1H2     G   1          1H2         G   1  -0.948 -13.949   4.699
   11   2H2     G   1          2H2         G   1  -2.407 -13.849   5.659
   12    H5T    G   1           H5T        G   1  -8.823  -7.229   1.948
   13   1H5*    G   2          2H5*        G   2  -5.997  -9.388   7.790
   14   2H5*    G   2          1H5*        G   2  -5.276  -7.897   8.431
   15    H4*    G   2           H4*        G   2  -4.042  -9.885   9.186
   16    H3*    G   2           H3*        G   2  -2.547  -8.049   7.238
   17    H2*    G   2           H2*        G   2  -0.627  -9.525   7.550
   18   2HO*    G   2          2HO*        G   2  -1.237  -9.823   9.880
   19    H1*    G   2           H1*        G   2  -2.017 -11.837   7.148
   20    H8     G   2           H8         G   2  -3.967  -9.595   4.940
   21    H1     G   2           H1         G   2   1.850 -10.837   2.555
   22   1H2     G   2          1H2         G   2   2.558 -11.990   5.749
   23   2H2     G   2          2H2         G   2   3.131 -11.740   4.116
   24   1H5*    C   3          1H5*        C   3   0.369  -8.479  10.220
   25   2H5*    C   3          2H5*        C   3   0.985  -6.864  10.628
   26    H4*    C   3           H4*        C   3   2.794  -8.314   9.828
   27    H3*    C   3           H3*        C   3   2.026  -6.038   7.917
   28    H2*    C   3           H2*        C   3   3.928  -6.770   6.568
   29   2HO*    C   3          2HO*        C   3   5.205  -7.285   8.529
   30    H1*    C   3           H1*        C   3   3.234  -9.414   6.608
   31   1H4     C   3          1H4         C   3  -1.353  -6.577   2.755
   32   2H4     C   3          2H4         C   3  -0.030  -7.035   1.704
   33    H5     C   3           H5         C   3  -1.270  -6.919   5.194
   34    H6     C   3           H6         C   3   0.147  -7.630   7.047
   35   1H5*    U   4          1H5*        U   4   6.297  -5.607   8.548
   36   2H5*    U   4          2H5*        U   4   6.695  -3.879   8.621
   37    H4*    U   4           H4*        U   4   7.904  -5.041   6.803
   38    H3*    U   4           H3*        U   4   5.806  -2.992   5.883
   39    H2*    U   4           H2*        U   4   6.715  -3.397   3.643
   40   2HO*    U   4          2HO*        U   4   8.937  -3.637   4.541
   41    H1*    U   4           H1*        U   4   6.602  -6.125   3.868
   42    H3     U   4           H3         U   4   2.962  -4.937   1.392
   43    H5     U   4           H5         U   4   1.792  -4.251   5.381
   44    H6     U   4           H6         U   4   4.085  -4.700   6.051
   45   1H5*    G   5          1H5*        G   5   9.399  -2.059   3.817
   46   2H5*    G   5          2H5*        G   5   9.652  -0.302   3.830
   47    H4*    G   5           H4*        G   5   9.643  -1.225   1.536
   48    H3*    G   5           H3*        G   5   7.244   0.581   2.197
   49    H2*    G   5           H2*        G   5   6.753   0.397  -0.186
   50   2HO*    G   5          2HO*        G   5   8.314   0.051  -1.578
   51    H1*    G   5           H1*        G   5   7.201  -2.337  -0.293
   52    H8     G   5           H8         G   5   5.524  -1.919   2.997
   53    H1     G   5           H1         G   5   1.494  -1.027  -1.913
   54   1H2     G   5          1H2         G   5   4.383  -0.930  -3.832
   55   2H2     G   5          2H2         G   5   2.639  -0.794  -3.793
   56   1H5*    G   6          2H5*        G   6   9.329   1.678  -1.304
   57   2H5*    G   6          1H5*        G   6   9.411   3.425  -1.615
   58    H4*    G   6           H4*        G   6   8.445   2.113  -3.510
   59    H3*    G   6           H3*        G   6   6.588   4.140  -2.137
   60    H2*    G   6           H2*        G   6   5.010   3.594  -3.927
   61   2HO*    G   6          2HO*        G   6   6.750   3.412  -5.538
   62    H1*    G   6           H1*        G   6   5.295   0.883  -3.658
   63    H8     G   6           H8         G   6   5.740   1.987  -0.133
   64    H1     G   6           H1         G   6  -0.338   2.527  -2.102
   65   1H2     G   6          1H2         G   6  -0.431   2.383  -4.309
   66   2H2     G   6          2H2         G   6   0.997   2.083  -5.274
   67   1H5*    C   7          1H5*        C   7   6.587   5.113  -6.402
   68   2H5*    C   7          2H5*        C   7   6.564   6.879  -6.585
   69    H4*    C   7           H4*        C   7   4.654   5.773  -7.722
   70    H3*    C   7           H3*        C   7   3.979   7.611  -5.360
   71    H2*    C   7           H2*        C   7   1.635   7.191  -5.908
   72   2HO*    C   7          2HO*        C   7   2.340   7.090  -8.298
   73    H1*    C   7           H1*        C   7   1.904   4.480  -6.073
   74   1H4     C   7          1H4         C   7   2.580   5.746   0.390
   75   2H4     C   7          2H4         C   7   0.862   5.593   0.091
   76    H5     C   7           H5         C   7   4.237   5.752  -1.438
   77    H6     C   7           H6         C   7   4.518   5.581  -3.855
   78   1H5*   +U   8          1H5*       +U   8   1.137  10.271  -8.595
   79   2H5*   +U   8          2H5*       +U   8   1.104   8.512  -8.350
   80    H4*   +U   8           H4*       +U   8  -1.142   9.500  -8.114
   81    H3*   +U   8           H3*       +U   8   0.164  11.161  -5.891
   82    H2*   +U   8           H2*       +U   8  -1.969  11.030  -4.740
   83    H1*   +U   8           H1*       +U   8  -2.342   8.333  -5.177
   84    H3    +U   8           H3        +U   8  -1.108   8.680  -0.814
   85    H5    +U   8           H5        +U   8   2.511   8.984  -2.956
   86    H6    +U   8           H6        +U   8   1.204   9.070  -5.003
   87   1H5*    G   9          2H5*        G   9  -2.183  13.469  -5.218
   88   2H5*    G   9          1H5*        G   9  -2.119  14.900  -6.265
   89    H4*    G   9           H4*        G   9  -2.298  15.571  -3.921
   90    H3*    G   9           H3*        G   9   0.382  16.165  -5.267
   91    H2*    G   9           H2*        G   9   1.149  17.112  -3.179
   92   2HO*    G   9          2HO*        G   9  -1.281  17.902  -2.958
   93    H1*    G   9           H1*        G   9   0.099  15.177  -1.515
   94    H8     G   9           H8         G   9   2.193  15.382  -4.785
   95    H1     G   9           H1         G   9   4.451  11.420  -0.276
   96   1H2     G   9          1H2         G   9   1.487  12.161   1.382
   97   2H2     G   9          2H2         G   9   2.999  11.282   1.397
   98   1H5*    U  10          2H5*        U  10  -4.951  18.123  -6.093
   99   2H5*    U  10          1H5*        U  10  -4.141  18.178  -4.515
  100    H4*    U  10           H4*        U  10  -6.412  17.176  -4.414
  101    H3*    U  10           H3*        U  10  -4.164  16.065  -3.103
  102    H2*    U  10           H2*        U  10  -3.930  14.215  -4.667
  103   2HO*    U  10          2HO*        U  10  -5.887  13.560  -2.700
  104    H1*    U  10           H1*        U  10  -6.984  14.124  -4.797
  105    H3     U  10           H3         U  10  -7.070  10.784  -7.775
  106    H5     U  10           H5         U  10  -3.502  12.785  -8.780
  107    H6     U  10           H6         U  10  -3.944  14.328  -6.956
  108   1H5*    U  11          1H5*        U  11  -6.962  13.699  -0.120
  109   2H5*    U  11          2H5*        U  11  -7.077  15.015   1.066
  110    H4*    U  11           H4*        U  11  -6.381  12.955   2.158
  111    H3*    U  11           H3*        U  11  -5.027  15.266   2.717
  112    H2*    U  11           H2*        U  11  -3.427  14.919   0.837
  113   2HO*    U  11          2HO*        U  11  -2.381  13.918   3.306
  114    H1*    U  11           H1*        U  11  -3.122  12.099   1.994
  115    H3     U  11           H3         U  11   0.377  11.665  -0.883
  116    H5     U  11           H5         U  11  -2.978  12.295  -3.343
  117    H6     U  11           H6         U  11  -4.248  12.826  -1.341
  118   1H5*    C  12          2H5*        C  12  -7.635  12.861   3.689
  119   2H5*    C  12          1H5*        C  12  -8.193  11.643   4.852
  120    H4*    C  12           H4*        C  12  -7.789  10.974   2.347
  121    H3*    C  12           H3*        C  12  -7.089   9.360   4.803
  122    H2*    C  12           H2*        C  12  -5.289   8.309   3.712
  123   2HO*    C  12          2HO*        C  12  -7.073   7.962   1.507
  124    H1*    C  12           H1*        C  12  -5.840   9.698   1.082
  125   1H4     C  12          1H4         C  12   0.460   8.957   0.804
  126   2H4     C  12          2H4         C  12   0.662   9.346   2.498
  127    H5     C  12           H5         C  12  -1.238   9.870   3.965
  128    H6     C  12           H6         C  12  -3.658  10.127   4.061
  129   1H5*    G  13          2H5*        G  13  -9.694   8.249   1.183
  130   2H5*    G  13          1H5*        G  13 -10.521   6.689   1.004
  131    H4*    G  13           H4*        G  13  -9.406   7.451  -1.088
  132    H3*    G  13           H3*        G  13  -8.203   4.916   0.169
  133    H2*    G  13           H2*        G  13  -6.870   4.811  -1.841
  134   2HO*    G  13          2HO*        G  13  -8.446   5.090  -3.384
  135    H1*    G  13           H1*        G  13  -6.624   7.645  -2.119
  136    H8     G  13           H8         G  13  -5.633   6.668   1.368
  137    H1     G  13           H1         G  13  -1.096   5.440  -2.989
  138   1H2     G  13          1H2         G  13  -1.928   5.644  -5.024
  139   2H2     G  13          2H2         G  13  -3.603   6.063  -5.299
  140   1H5*    C  14          1H5*        C  14  -8.705   1.199  -3.243
  141   2H5*    C  14          2H5*        C  14  -7.607   1.864  -2.015
  142    H4*    C  14           H4*        C  14  -7.503   2.480  -4.991
  143    H3*    C  14           H3*        C  14  -5.819   0.596  -3.253
  144    H2*    C  14           H2*        C  14  -3.928   1.214  -4.673
  145   2HO*    C  14          2HO*        C  14  -5.476   1.352  -6.578
  146    H1*    C  14           H1*        C  14  -4.353   3.897  -4.495
  147   1H4     C  14          1H4         C  14  -0.953   2.274   0.667
  148   2H4     C  14          2H4         C  14  -2.418   2.281   1.625
  149    H5     C  14           H5         C  14  -4.635   2.684   0.630
  150    H6     C  14           H6         C  14  -5.837   3.004  -1.466
  151   1H5*    C  15          1H5*        C  15  -4.889  -0.152  -7.403
  152   2H5*    C  15          2H5*        C  15  -4.836  -1.898  -7.718
  153    H4*    C  15           H4*        C  15  -2.771  -0.741  -8.452
  154    H3*    C  15           H3*        C  15  -2.470  -2.736  -6.139
  155    H2*    C  15           H2*        C  15  -0.062  -2.307  -6.319
  156   2HO*    C  15          2HO*        C  15  -0.426  -1.987  -8.768
  157    H1*    C  15           H1*        C  15  -0.318   0.397  -6.247
  158   1H4     C  15          1H4         C  15  -2.189  -1.522  -0.185
  159   2H4     C  15          2H4         C  15  -0.447  -1.359  -0.127
  160    H5     C  15           H5         C  15  -3.469  -1.246  -2.266
  161    H6     C  15           H6         C  15  -3.296  -0.815  -4.657
  162   1H5*    A  16          2H5*        A  16   0.629  -3.394  -8.733
  163   2H5*    A  16          1H5*        A  16   0.905  -5.119  -9.046
  164    H4*    A  16           H4*        A  16   2.923  -3.995  -8.165
  165    H3*    A  16           H3*        A  16   1.655  -6.052  -6.264
  166    H2*    A  16           H2*        A  16   3.665  -5.698  -4.917
  167   2HO*    A  16          2HO*        A  16   5.052  -5.544  -6.836
  168    H1*    A  16           H1*        A  16   3.561  -2.947  -5.098
  169    H8     A  16           H8         A  16  -0.050  -3.807  -4.938
  170   1H6     A  16          1H6         A  16   0.673  -4.712   1.146
  171   2H6     A  16          2H6         A  16  -0.483  -4.646  -0.166
  172    H2     A  16           H2         A  16   4.731  -4.491  -0.701
  173   1H5*    G  17          2H5*        G  17   5.779  -7.492  -7.088
  174   2H5*    G  17          1H5*        G  17   5.712  -9.259  -7.241
  175    H4*    G  17           H4*        G  17   7.334  -8.523  -5.521
  176    H3*    G  17           H3*        G  17   4.878 -10.034  -4.457
  177    H2*    G  17           H2*        G  17   6.042  -9.971  -2.304
  178   2HO*    G  17          2HO*        G  17   8.161 -10.287  -3.409
  179    H1*    G  17           H1*        G  17   6.673  -7.301  -2.472
  180    H8     G  17           H8         G  17   3.353  -7.449  -4.179
  181    H1     G  17           H1         G  17   2.891  -8.048   2.186
  182   1H2     G  17          1H2         G  17   6.321  -8.555   2.061
  183   2H2     G  17          2H2         G  17   4.882  -8.469   3.053
  184   1H5*    C  18          1H5*        C  18   8.279 -12.024  -2.845
  185   2H5*    C  18          2H5*        C  18   8.037 -13.782  -2.902
  186    H4*    C  18           H4*        C  18   8.465 -12.975  -0.604
  187    H3*    C  18           H3*        C  18   5.659 -14.100  -1.137
  188    H2*    C  18           H2*        C  18   5.269 -13.800   1.254
  189   2HO*    C  18          2HO*        C  18   7.722 -14.351   1.530
  190    H1*    C  18           H1*        C  18   6.274 -11.249   1.353
  191   1H4     C  18          1H4         C  18   0.128 -10.514  -0.101
  192   2H4     C  18          2H4         C  18   0.487 -10.619  -1.811
  193    H5     C  18           H5         C  18   2.749 -11.117  -2.652
  194    H6     C  18           H6         C  18   5.034 -11.653  -1.992
  195   1H5*    C  19          1H5*        C  19   7.069 -16.087   2.312
  196   2H5*    C  19          2H5*        C  19   6.588 -17.797   2.315
  197    H4*    C  19           H4*        C  19   5.687 -16.581   4.266
  198    H3*    C  19           H3*        C  19   3.603 -17.469   2.208
  199    H2*    C  19           H2*        C  19   1.947 -16.738   3.830
  200   2HO*    C  19          2HO*        C  19   4.115 -16.065   5.562
  201    H1*    C  19           H1*        C  19   3.141 -14.308   4.204
  202   1H4     C  19          1H4         C  19   0.644 -14.044  -1.935
  203   2H4     C  19          2H4         C  19  -0.533 -13.315  -0.863
  204    H5     C  19           H5         C  19   2.760 -15.001  -1.104
  205    H6     C  19           H6         C  19   4.030 -15.553   0.905
  206    H3T    C  19           H3T        C  19   4.100 -18.444   4.830
  207   1HC   CH3   8          1HC       CH3   8  -4.000   9.678  -4.660
  208   2HC   CH3   8          2HC       CH3   8  -5.103  10.018  -5.996
  209   3HC   CH3   8          3HC       CH3   8  -4.404  11.349  -5.070
  Start of MODEL   13
    1   1H5*    G   1          2H5*        G   1  -9.193  -8.228   4.077
    2   2H5*    G   1          1H5*        G   1  -8.413  -9.226   2.833
    3    H4*    G   1           H4*        G   1  -9.365 -10.231   5.539
    4    H3*    G   1           H3*        G   1  -6.587  -9.389   4.570
    5    H2*    G   1           H2*        G   1  -5.680 -11.255   5.864
    6   2HO*    G   1          2HO*        G   1  -7.325 -10.941   7.583
    7    H1*    G   1           H1*        G   1  -7.338 -13.115   4.826
    8    H8     G   1           H8         G   1  -7.487 -11.040   1.858
    9    H1     G   1           H1         G   1  -1.521 -13.212   2.739
   10   1H2     G   1          1H2         G   1  -2.625 -13.985   5.935
   11   2H2     G   1          2H2         G   1  -1.295 -13.983   4.799
   12    H5T    G   1           H5T        G   1 -10.385 -10.570   3.021
   13   1H5*    G   2          2H5*        G   2  -5.871  -9.934   8.663
   14   2H5*    G   2          1H5*        G   2  -5.062  -8.500   9.328
   15    H4*    G   2           H4*        G   2  -3.735 -10.545   9.693
   16    H3*    G   2           H3*        G   2  -2.534  -8.494   7.754
   17    H2*    G   2           H2*        G   2  -0.586  -9.969   7.643
   18   2HO*    G   2          2HO*        G   2  -0.885 -10.526   9.992
   19    H1*    G   2           H1*        G   2  -2.022 -12.234   7.175
   20    H8     G   2           H8         G   2  -4.290  -9.827   5.537
   21    H1     G   2           H1         G   2   1.164 -10.562   2.252
   22   1H2     G   2          1H2         G   2   2.673 -11.583   3.510
   23   2H2     G   2          2H2         G   2   2.331 -12.054   5.160
   24   1H5*    C   3          1H5*        C   3   0.721  -9.334  10.208
   25   2H5*    C   3          2H5*        C   3   1.491  -7.814  10.706
   26    H4*    C   3           H4*        C   3   3.063  -9.268   9.490
   27    H3*    C   3           H3*        C   3   2.251  -6.699   8.018
   28    H2*    C   3           H2*        C   3   3.918  -7.355   6.351
   29   2HO*    C   3          2HO*        C   3   5.262  -8.306   8.204
   30    H1*    C   3           H1*        C   3   3.011  -9.923   6.129
   31   1H4     C   3          1H4         C   3  -1.754  -6.295   3.300
   32   2H4     C   3          2H4         C   3  -0.557  -6.589   2.058
   33    H5     C   3           H5         C   3  -1.438  -7.036   5.630
   34    H6     C   3           H6         C   3   0.119  -8.102   7.175
   35   1H5*    U   4          2H5*        U   4   6.498  -6.861   8.037
   36   2H5*    U   4          1H5*        U   4   7.209  -5.244   8.214
   37    H4*    U   4           H4*        U   4   7.905  -6.381   6.117
   38    H3*    U   4           H3*        U   4   6.171  -3.867   5.760
   39    H2*    U   4           H2*        U   4   6.676  -4.133   3.378
   40   2HO*    U   4          2HO*        U   4   8.912  -4.948   4.010
   41    H1*    U   4           H1*        U   4   6.084  -6.817   3.340
   42    H3     U   4           H3         U   4   2.518  -4.674   1.464
   43    H5     U   4           H5         U   4   1.860  -4.422   5.617
   44    H6     U   4           H6         U   4   4.094  -5.319   5.950
   45   1H5*    G   5          1H5*        G   5   9.421  -3.538   3.106
   46   2H5*    G   5          2H5*        G   5  10.150  -1.929   3.281
   47    H4*    G   5           H4*        G   5   9.578  -2.400   0.936
   48    H3*    G   5           H3*        G   5   7.800  -0.257   2.240
   49    H2*    G   5           H2*        G   5   6.935   0.072  -0.005
   50   2HO*    G   5          2HO*        G   5   8.403  -0.050  -1.523
   51    H1*    G   5           H1*        G   5   6.839  -2.656  -0.626
   52    H8     G   5           H8         G   5   5.550  -2.426   2.868
   53    H1     G   5           H1         G   5   1.335  -0.271  -1.461
   54   1H2     G   5          1H2         G   5   2.333  -0.016  -3.422
   55   2H2     G   5          2H2         G   5   4.038  -0.345  -3.637
   56   1H5*    G   6          2H5*        G   6   9.822   1.152  -1.310
   57   2H5*    G   6          1H5*        G   6  10.232   2.878  -1.253
   58    H4*    G   6           H4*        G   6   8.853   2.249  -3.238
   59    H3*    G   6           H3*        G   6   7.555   4.170  -1.220
   60    H2*    G   6           H2*        G   6   5.750   4.339  -2.838
   61   2HO*    G   6          2HO*        G   6   6.171   4.125  -4.905
   62    H1*    G   6           H1*        G   6   5.675   1.622  -3.424
   63    H8     G   6           H8         G   6   6.215   1.819   0.285
   64    H1     G   6           H1         G   6   0.186   3.120  -1.468
   65   1H2     G   6          1H2         G   6   0.084   3.381  -3.668
   66   2H2     G   6          2H2         G   6   1.528   3.404  -4.656
   67   1H5*    C   7          2H5*        C   7   7.846   5.233  -5.433
   68   2H5*    C   7          1H5*        C   7   7.953   6.961  -5.828
   69    H4*    C   7           H4*        C   7   6.153   5.717  -7.069
   70    H3*    C   7           H3*        C   7   5.352   8.052  -5.250
   71    H2*    C   7           H2*        C   7   3.059   7.675  -6.013
   72   2HO*    C   7          2HO*        C   7   4.065   6.989  -8.207
   73    H1*    C   7           H1*        C   7   3.075   4.992  -5.566
   74   1H4     C   7          1H4         C   7   3.262   7.605   0.525
   75   2H4     C   7          2H4         C   7   1.578   7.343   0.133
   76    H5     C   7           H5         C   7   5.072   7.114  -1.076
   77    H6     C   7           H6         C   7   5.560   6.421  -3.363
   78   1H5*   +U   8          1H5*       +U   8   2.920  10.120  -9.159
   79   2H5*   +U   8          2H5*       +U   8   3.216   8.448  -8.640
   80    H4*   +U   8           H4*       +U   8   0.844   8.885  -8.496
   81    H3*   +U   8           H3*       +U   8   1.635  11.370  -6.887
   82    H2*   +U   8           H2*       +U   8  -0.401  11.045  -5.605
   83    H1*   +U   8           H1*       +U   8  -0.068   8.353  -5.213
   84    H3    +U   8           H3        +U   8   1.202  10.120  -1.238
   85    H5    +U   8           H5        +U   8   4.497  10.825  -3.766
   86    H6    +U   8           H6        +U   8   3.149  10.018  -5.622
   87   1H5*    G   9          1H5*        G   9  -2.407  11.600  -7.493
   88   2H5*    G   9          2H5*        G   9  -2.567  12.354  -9.091
   89    H4*    G   9           H4*        G   9  -4.526  12.708  -7.546
   90    H3*    G   9           H3*        G   9  -3.712  14.584  -9.349
   91    H2*    G   9           H2*        G   9  -1.971  15.497  -7.841
   92   2HO*    G   9          2HO*        G   9  -4.402  16.991  -7.621
   93    H1*    G   9           H1*        G   9  -4.166  15.644  -5.713
   94    H8     G   9           H8         G   9  -0.373  15.276  -6.478
   95    H1     G   9           H1         G   9  -1.855  16.739  -0.414
   96   1H2     G   9          1H2         G   9  -4.053  16.698  -0.148
   97   2H2     G   9          2H2         G   9  -5.137  16.346  -1.474
   98   1H5*    U  10          1H5*        U  10  -8.671  12.946  -6.892
   99   2H5*    U  10          2H5*        U  10  -7.833  14.125  -5.863
  100    H4*    U  10           H4*        U  10  -8.605  12.089  -4.641
  101    H3*    U  10           H3*        U  10  -6.136  13.302  -4.172
  102    H2*    U  10           H2*        U  10  -4.932  11.750  -5.665
  103   2HO*    U  10          2HO*        U  10  -5.017  10.720  -2.997
  104    H1*    U  10           H1*        U  10  -6.634   9.571  -4.338
  105    H3     U  10           H3         U  10  -4.749   6.189  -6.559
  106    H5     U  10           H5         U  10  -4.520   9.331  -9.360
  107    H6     U  10           H6         U  10  -5.548  10.782  -7.702
  108   1H5*    U  11          2H5*        U  11  -5.814  10.732  -0.266
  109   2H5*    U  11          1H5*        U  11  -6.441  11.873   0.938
  110    H4*    U  11           H4*        U  11  -4.219  11.111   1.589
  111    H3*    U  11           H3*        U  11  -4.837  13.855   1.502
  112    H2*    U  11           H2*        U  11  -3.699  14.159  -0.660
  113   2HO*    U  11          2HO*        U  11  -1.770  14.482   1.435
  114    H1*    U  11           H1*        U  11  -1.560  12.332   0.551
  115    H3     U  11           H3         U  11   1.268  12.985  -2.854
  116    H5     U  11           H5         U  11  -2.440  12.560  -4.805
  117    H6     U  11           H6         U  11  -3.494  12.441  -2.616
  118   1H5*    C  12          2H5*        C  12  -5.413  11.544   3.094
  119   2H5*    C  12          1H5*        C  12  -5.933  11.323   4.775
  120    H4*    C  12           H4*        C  12  -5.611   9.166   3.601
  121    H3*    C  12           H3*        C  12  -4.780   9.505   6.190
  122    H2*    C  12           H2*        C  12  -2.604  10.459   5.380
  123   2HO*    C  12          2HO*        C  12  -2.225   7.678   5.966
  124    H1*    C  12           H1*        C  12  -2.545   7.888   3.738
  125   1H4     C  12          1H4         C  12   3.079  10.104   1.852
  126   2H4     C  12          2H4         C  12   2.358  11.594   1.289
  127    H5     C  12           H5         C  12  -0.011  12.133   1.680
  128    H6     C  12           H6         C  12  -2.102  11.324   2.622
  129   1H5*    G  13          2H5*        G  13  -7.487   8.360   3.406
  130   2H5*    G  13          1H5*        G  13  -8.028   6.785   2.794
  131    H4*    G  13           H4*        G  13  -7.580   8.645   1.069
  132    H3*    G  13           H3*        G  13  -6.167   5.928   0.782
  133    H2*    G  13           H2*        G  13  -5.419   6.815  -1.373
  134   2HO*    G  13          2HO*        G  13  -6.392   8.511  -2.315
  135    H1*    G  13           H1*        G  13  -4.667   9.270  -0.322
  136    H8     G  13           H8         G  13  -3.595   7.249   2.465
  137    H1     G  13           H1         G  13  -0.124   5.934  -2.754
  138   1H2     G  13          1H2         G  13  -2.673   7.569  -4.446
  139   2H2     G  13          2H2         G  13  -1.134   6.744  -4.548
  140   1H5*    C  14          2H5*        C  14  -7.646   6.045  -3.017
  141   2H5*    C  14          1H5*        C  14  -8.412   4.479  -3.354
  142    H4*    C  14           H4*        C  14  -6.521   4.908  -4.874
  143    H3*    C  14           H3*        C  14  -6.060   2.646  -2.848
  144    H2*    C  14           H2*        C  14  -3.984   2.243  -4.056
  145   2HO*    C  14          2HO*        C  14  -3.896   2.689  -6.121
  146    H1*    C  14           H1*        C  14  -3.268   4.905  -4.208
  147   1H4     C  14          1H4         C  14  -0.546   2.744   1.103
  148   2H4     C  14          2H4         C  14  -1.959   3.183   2.038
  149    H5     C  14           H5         C  14  -4.028   4.019   0.987
  150    H6     C  14           H6         C  14  -5.082   4.578  -1.143
  151   1H5*    C  15          1H5*        C  15  -5.101   1.654  -6.949
  152   2H5*    C  15          2H5*        C  15  -5.429  -0.051  -7.322
  153    H4*    C  15           H4*        C  15  -3.089   0.606  -7.830
  154    H3*    C  15           H3*        C  15  -3.418  -1.418  -5.539
  155    H2*    C  15           H2*        C  15  -0.982  -1.589  -5.654
  156   2HO*    C  15          2HO*        C  15   0.070  -1.087  -7.438
  157    H1*    C  15           H1*        C  15  -0.585   1.138  -5.725
  158   1H4     C  15          1H4         C  15  -2.274  -0.414   0.507
  159   2H4     C  15          2H4         C  15  -0.527  -0.310   0.456
  160    H5     C  15           H5         C  15  -3.663  -0.250  -1.521
  161    H6     C  15           H6         C  15  -3.619   0.129  -3.929
  162   1H5*    A  16          1H5*        A  16  -0.557  -2.562  -8.366
  163   2H5*    A  16          2H5*        A  16  -0.560  -4.302  -8.719
  164    H4*    A  16           H4*        A  16   1.674  -3.482  -8.034
  165    H3*    A  16           H3*        A  16   0.336  -5.397  -6.035
  166    H2*    A  16           H2*        A  16   2.527  -5.371  -4.938
  167   2HO*    A  16          2HO*        A  16   3.696  -5.322  -6.998
  168    H1*    A  16           H1*        A  16   2.753  -2.629  -5.026
  169    H8     A  16           H8         A  16  -0.920  -3.189  -4.538
  170   1H6     A  16          1H6         A  16   0.320  -4.216   1.446
  171   2H6     A  16          2H6         A  16  -0.950  -4.028   0.257
  172    H2     A  16           H2         A  16   4.185  -4.230  -0.782
  173   1H5*    G  17          1H5*        G  17   4.141  -7.234  -7.476
  174   2H5*    G  17          2H5*        G  17   3.903  -8.986  -7.629
  175    H4*    G  17           H4*        G  17   5.860  -8.398  -6.218
  176    H3*    G  17           H3*        G  17   3.535  -9.794  -4.771
  177    H2*    G  17           H2*        G  17   5.060  -9.871  -2.856
  178   2HO*    G  17          2HO*        G  17   6.973  -8.997  -4.787
  179    H1*    G  17           H1*        G  17   5.803  -7.238  -3.061
  180    H8     G  17           H8         G  17   2.255  -7.093  -4.186
  181    H1     G  17           H1         G  17   2.793  -8.040   2.132
  182   1H2     G  17          1H2         G  17   6.106  -8.767   1.408
  183   2H2     G  17          2H2         G  17   4.864  -8.633   2.631
  184   1H5*    C  18          1H5*        C  18   7.040 -11.818  -3.655
  185   2H5*    C  18          2H5*        C  18   6.783 -13.574  -3.709
  186    H4*    C  18           H4*        C  18   7.538 -12.830  -1.482
  187    H3*    C  18           H3*        C  18   4.672 -13.909  -1.638
  188    H2*    C  18           H2*        C  18   4.584 -13.618   0.780
  189   2HO*    C  18          2HO*        C  18   7.389 -13.289   0.456
  190    H1*    C  18           H1*        C  18   5.629 -11.088   0.785
  191   1H4     C  18          1H4         C  18  -0.468 -10.318  -1.686
  192   2H4     C  18          2H4         C  18  -0.612 -10.171   0.053
  193    H5     C  18           H5         C  18   1.669 -10.857  -2.787
  194    H6     C  18           H6         C  18   4.000 -11.456  -2.401
  195   1H5*    C  19          1H5*        C  19   6.455 -15.898   1.759
  196   2H5*    C  19          2H5*        C  19   6.047 -17.623   1.642
  197    H4*    C  19           H4*        C  19   5.319 -16.682   3.792
  198    H3*    C  19           H3*        C  19   3.039 -17.380   1.873
  199    H2*    C  19           H2*        C  19   1.553 -16.891   3.730
  200   2HO*    C  19          2HO*        C  19   2.509 -16.285   5.772
  201    H1*    C  19           H1*        C  19   2.754 -14.495   4.285
  202   1H4     C  19          1H4         C  19  -0.371 -13.484  -1.473
  203   2H4     C  19          2H4         C  19  -1.451 -12.953  -0.202
  204    H5     C  19           H5         C  19   1.837 -14.469  -0.993
  205    H6     C  19           H6         C  19   3.312 -15.253   0.784
  206    H3T    C  19           H3T        C  19   3.992 -18.614   4.268
  207   1HC   CH3   8          1HC       CH3   8  -2.853   8.590  -6.088
  208   2HC   CH3   8          2HC       CH3   8  -3.092  10.338  -6.031
  209   3HC   CH3   8          3HC       CH3   8  -1.934   9.569  -4.943
  Start of MODEL   14
    1   1H5*    G   1          1H5*        G   1  -9.766  -7.945   2.763
    2   2H5*    G   1          2H5*        G   1  -8.758  -6.742   3.593
    3    H4*    G   1           H4*        G   1  -9.130  -8.751   4.983
    4    H3*    G   1           H3*        G   1  -6.260  -8.234   4.043
    5    H2*    G   1           H2*        G   1  -5.614 -10.205   5.343
    6   2HO*    G   1          2HO*        G   1  -7.242  -9.717   7.032
    7    H1*    G   1           H1*        G   1  -7.463 -11.830   4.237
    8    H8     G   1           H8         G   1  -7.224  -9.583   1.360
    9    H1     G   1           H1         G   1  -1.748 -12.810   2.191
   10   1H2     G   1          1H2         G   1  -3.053 -13.567   5.316
   11   2H2     G   1          2H2         G   1  -1.717 -13.737   4.200
   12    H5T    G   1           H5T        G   1  -6.964  -7.648   2.392
   13   1H5*    G   2          1H5*        G   2  -5.781  -9.144   8.107
   14   2H5*    G   2          2H5*        G   2  -4.876  -7.837   8.897
   15    H4*    G   2           H4*        G   2  -3.824 -10.023   9.298
   16    H3*    G   2           H3*        G   2  -2.232  -8.106   7.508
   17    H2*    G   2           H2*        G   2  -0.470  -9.793   7.548
   18   2HO*    G   2          2HO*        G   2  -0.999 -10.288   9.861
   19    H1*    G   2           H1*        G   2  -2.131 -11.904   7.004
   20    H8     G   2           H8         G   2  -3.835  -9.257   5.063
   21    H1     G   2           H1         G   2   1.722 -10.999   2.385
   22   1H2     G   2          1H2         G   2   2.928 -12.156   3.833
   23   2H2     G   2          2H2         G   2   2.339 -12.522   5.439
   24   1H5*    C   3          1H5*        C   3   0.749  -8.884  10.456
   25   2H5*    C   3          2H5*        C   3   1.446  -7.318  10.923
   26    H4*    C   3           H4*        C   3   3.166  -8.795   9.988
   27    H3*    C   3           H3*        C   3   2.425  -6.390   8.234
   28    H2*    C   3           H2*        C   3   4.220  -7.122   6.751
   29   2HO*    C   3          2HO*        C   3   5.551  -7.790   8.651
   30    H1*    C   3           H1*        C   3   3.442  -9.745   6.698
   31   1H4     C   3          1H4         C   3   0.083  -6.995   2.060
   32   2H4     C   3          2H4         C   3  -1.214  -6.623   3.175
   33    H5     C   3           H5         C   3  -1.032  -7.054   5.593
   34    H6     C   3           H6         C   3   0.436  -7.893   7.350
   35   1H5*    U   4          1H5*        U   4   6.774  -6.161   8.513
   36   2H5*    U   4          2H5*        U   4   7.162  -4.455   8.816
   37    H4*    U   4           H4*        U   4   8.294  -5.281   6.795
   38    H3*    U   4           H3*        U   4   6.055  -3.245   6.263
   39    H2*    U   4           H2*        U   4   6.833  -3.308   3.947
   40   2HO*    U   4          2HO*        U   4   8.855  -3.785   3.547
   41    H1*    U   4           H1*        U   4   6.914  -6.050   3.819
   42    H3     U   4           H3         U   4   3.105  -4.849   1.636
   43    H5     U   4           H5         U   4   2.078  -4.630   5.716
   44    H6     U   4           H6         U   4   4.415  -5.028   6.249
   45   1H5*    G   5          2H5*        G   5   9.554  -2.173   4.202
   46   2H5*    G   5          1H5*        G   5   9.830  -0.420   4.182
   47    H4*    G   5           H4*        G   5   9.736  -1.398   1.903
   48    H3*    G   5           H3*        G   5   7.413   0.497   2.592
   49    H2*    G   5           H2*        G   5   6.864   0.287   0.225
   50   2HO*    G   5          2HO*        G   5   8.399  -0.085  -1.182
   51    H1*    G   5           H1*        G   5   7.245  -2.462   0.155
   52    H8     G   5           H8         G   5   5.601  -1.879   3.454
   53    H1     G   5           H1         G   5   1.557  -1.153  -1.472
   54   1H2     G   5          1H2         G   5   2.692  -1.044  -3.369
   55   2H2     G   5          2H2         G   5   4.438  -1.157  -3.406
   56   1H5*    G   6          1H5*        G   6   9.559   1.490  -0.961
   57   2H5*    G   6          2H5*        G   6   9.619   3.222  -1.343
   58    H4*    G   6           H4*        G   6   8.666   1.794  -3.173
   59    H3*    G   6           H3*        G   6   6.813   3.908  -1.931
   60    H2*    G   6           H2*        G   6   5.254   3.271  -3.710
   61   2HO*    G   6          2HO*        G   6   6.974   2.982  -5.302
   62    H1*    G   6           H1*        G   6   5.508   0.582  -3.265
   63    H8     G   6           H8         G   6   5.935   1.914   0.186
   64    H1     G   6           H1         G   6  -0.121   2.373  -1.868
   65   1H2     G   6          1H2         G   6   1.234   1.694  -4.989
   66   2H2     G   6          2H2         G   6  -0.197   2.085  -4.061
   67   1H5*    C   7          2H5*        C   7   6.926   4.656  -6.193
   68   2H5*    C   7          1H5*        C   7   6.787   6.392  -6.536
   69    H4*    C   7           H4*        C   7   4.950   5.015  -7.533
   70    H3*    C   7           H3*        C   7   4.176   7.122  -5.439
   71    H2*    C   7           H2*        C   7   1.861   6.507  -5.913
   72   2HO*    C   7          2HO*        C   7   2.559   6.134  -8.271
   73    H1*    C   7           H1*        C   7   2.273   3.815  -5.723
   74   1H4     C   7          1H4         C   7   1.085   5.733   0.219
   75   2H4     C   7          2H4         C   7   2.798   5.916   0.527
   76    H5     C   7           H5         C   7   4.488   5.669  -1.252
   77    H6     C   7           H6         C   7   4.812   5.203  -3.625
   78   1H5*   +U   8          1H5*       +U   8   0.910   7.299  -8.690
   79   2H5*   +U   8          2H5*       +U   8   1.299   8.936  -9.259
   80    H4*   +U   8           H4*       +U   8  -1.097   8.758  -8.901
   81    H3*   +U   8           H3*       +U   8   0.374  10.455  -6.818
   82    H2*   +U   8           H2*       +U   8  -1.789  10.916  -5.822
   83    H1*   +U   8           H1*       +U   8  -2.691   8.321  -5.879
   84    H3    +U   8           H3        +U   8  -1.487   8.898  -1.544
   85    H5    +U   8           H5        +U   8   2.157   8.246  -3.563
   86    H6    +U   8           H6        +U   8   0.932   8.377  -5.657
   87   1H5*    G   9          1H5*        G   9  -2.373  13.059  -7.612
   88   2H5*    G   9          2H5*        G   9  -1.929  14.092  -8.986
   89    H4*    G   9           H4*        G   9  -3.169  15.315  -7.220
   90    H3*    G   9           H3*        G   9  -1.019  16.440  -8.518
   91    H2*    G   9           H2*        G   9   0.610  15.545  -6.881
   92   2HO*    G   9          2HO*        G   9  -0.208  18.181  -6.122
   93    H1*    G   9           H1*        G   9  -1.302  16.638  -4.749
   94    H8     G   9           H8         G   9   1.328  13.878  -5.609
   95    H1     G   9           H1         G   9   0.530  15.178   0.622
   96   1H2     G   9          1H2         G   9  -1.098  16.664   0.872
   97   2H2     G   9          2H2         G   9  -1.967  17.320  -0.497
   98   1H5*    U  10          2H5*        U  10  -5.984  18.238  -5.953
   99   2H5*    U  10          1H5*        U  10  -4.435  18.319  -5.090
  100    H4*    U  10           H4*        U  10  -6.250  17.193  -3.799
  101    H3*    U  10           H3*        U  10  -3.607  16.269  -3.866
  102    H2*    U  10           H2*        U  10  -4.075  14.545  -5.549
  103   2HO*    U  10          2HO*        U  10  -4.312  12.589  -4.294
  104    H1*    U  10           H1*        U  10  -6.664  14.022  -3.998
  105    H3     U  10           H3         U  10  -8.025  10.739  -6.716
  106    H5     U  10           H5         U  10  -5.909  13.259  -9.348
  107    H6     U  10           H6         U  10  -5.403  14.691  -7.449
  108   1H5*    U  11          1H5*        U  11  -6.016  14.400  -0.016
  109   2H5*    U  11          2H5*        U  11  -5.869  15.649   1.237
  110    H4*    U  11           H4*        U  11  -5.519  13.433   2.195
  111    H3*    U  11           H3*        U  11  -3.795  15.443   2.858
  112    H2*    U  11           H2*        U  11  -2.369  14.985   0.858
  113   2HO*    U  11          2HO*        U  11  -1.320  13.686   3.185
  114    H1*    U  11           H1*        U  11  -2.426  12.097   1.874
  115    H3     U  11           H3         U  11   0.861  11.226  -1.129
  116    H5     U  11           H5         U  11  -2.395  12.542  -3.457
  117    H6     U  11           H6         U  11  -3.513  13.178  -1.393
  118   1H5*    C  12          2H5*        C  12  -6.740  13.425   3.738
  119   2H5*    C  12          1H5*        C  12  -7.456  12.227   4.833
  120    H4*    C  12           H4*        C  12  -7.315  11.744   2.254
  121    H3*    C  12           H3*        C  12  -7.069   9.850   4.528
  122    H2*    C  12           H2*        C  12  -5.158   8.774   3.631
  123   2HO*    C  12          2HO*        C  12  -6.815   8.295   1.358
  124    H1*    C  12           H1*        C  12  -5.643  10.030   0.898
  125   1H4     C  12          1H4         C  12   0.830   8.874   1.994
  126   2H4     C  12          2H4         C  12   0.514   8.605   0.294
  127    H5     C  12           H5         C  12  -0.931   9.526   3.574
  128    H6     C  12           H6         C  12  -3.296  10.070   3.794
  129   1H5*    G  13          1H5*        G  13  -9.285   9.112   0.538
  130   2H5*    G  13          2H5*        G  13 -10.317   7.690   0.290
  131    H4*    G  13           H4*        G  13  -8.774   8.159  -1.623
  132    H3*    G  13           H3*        G  13  -8.309   5.519  -0.121
  133    H2*    G  13           H2*        G  13  -6.603   5.079  -1.740
  134   2HO*    G  13          2HO*        G  13  -7.750   5.324  -3.610
  135    H1*    G  13           H1*        G  13  -6.006   7.868  -2.259
  136    H8     G  13           H8         G  13  -5.468   6.946   1.354
  137    H1     G  13           H1         G  13  -0.610   5.282  -2.479
  138   1H2     G  13          1H2         G  13  -2.817   6.019  -5.049
  139   2H2     G  13          2H2         G  13  -1.235   5.426  -4.595
  140   1H5*    C  14          2H5*        C  14  -8.692   1.798  -3.285
  141   2H5*    C  14          1H5*        C  14  -7.601   2.505  -2.077
  142    H4*    C  14           H4*        C  14  -7.206   2.673  -5.087
  143    H3*    C  14           H3*        C  14  -5.933   0.817  -2.999
  144    H2*    C  14           H2*        C  14  -3.920   0.935  -4.379
  145   2HO*    C  14          2HO*        C  14  -4.028   1.460  -6.449
  146    H1*    C  14           H1*        C  14  -3.957   3.660  -4.616
  147   1H4     C  14          1H4         C  14  -0.809   2.418   0.788
  148   2H4     C  14          2H4         C  14  -2.294   2.552   1.704
  149    H5     C  14           H5         C  14  -4.474   2.937   0.626
  150    H6     C  14           H6         C  14  -5.615   3.146  -1.519
  151   1H5*    C  15          2H5*        C  15  -4.888  -0.155  -6.985
  152   2H5*    C  15          1H5*        C  15  -4.972  -1.899  -7.307
  153    H4*    C  15           H4*        C  15  -2.805  -0.934  -8.000
  154    H3*    C  15           H3*        C  15  -2.693  -2.886  -5.632
  155    H2*    C  15           H2*        C  15  -0.259  -2.667  -5.828
  156   2HO*    C  15          2HO*        C  15   0.652  -1.960  -7.630
  157    H1*    C  15           H1*        C  15  -0.297   0.056  -5.852
  158   1H4     C  15          1H4         C  15  -0.391  -1.438   0.329
  159   2H4     C  15          2H4         C  15  -2.136  -1.586   0.306
  160    H5     C  15           H5         C  15  -3.448  -1.355  -1.762
  161    H6     C  15           H6         C  15  -3.311  -1.010  -4.171
  162   1H5*    A  16          2H5*        A  16   0.269  -3.685  -8.361
  163   2H5*    A  16          1H5*        A  16   0.584  -5.412  -8.621
  164    H4*    A  16           H4*        A  16   2.606  -4.186  -7.887
  165    H3*    A  16           H3*        A  16   1.512  -6.211  -5.847
  166    H2*    A  16           H2*        A  16   3.604  -5.750  -4.654
  167   2HO*    A  16          2HO*        A  16   4.850  -5.582  -6.665
  168    H1*    A  16           H1*        A  16   3.350  -3.024  -4.866
  169    H8     A  16           H8         A  16  -0.212  -4.059  -4.527
  170   1H6     A  16          1H6         A  16   0.837  -4.799   1.531
  171   2H6     A  16          2H6         A  16  -0.379  -4.838   0.272
  172    H2     A  16           H2         A  16   4.789  -4.416  -0.511
  173   1H5*    G  17          2H5*        G  17   5.648  -7.504  -6.881
  174   2H5*    G  17          1H5*        G  17   5.635  -9.276  -7.008
  175    H4*    G  17           H4*        G  17   7.360  -8.475  -5.432
  176    H3*    G  17           H3*        G  17   5.032 -10.020  -4.156
  177    H2*    G  17           H2*        G  17   6.333  -9.881  -2.093
  178   2HO*    G  17          2HO*        G  17   8.376 -10.174  -3.368
  179    H1*    G  17           H1*        G  17   6.904  -7.201  -2.365
  180    H8     G  17           H8         G  17   3.480  -7.394  -3.808
  181    H1     G  17           H1         G  17   3.490  -8.021   2.570
  182   1H2     G  17          1H2         G  17   6.903  -8.501   2.189
  183   2H2     G  17          2H2         G  17   5.544  -8.418   3.285
  184   1H5*    C  18          2H5*        C  18   8.261 -12.452  -2.734
  185   2H5*    C  18          1H5*        C  18   7.776 -14.136  -3.022
  186    H4*    C  18           H4*        C  18   8.165 -13.725  -0.632
  187    H3*    C  18           H3*        C  18   5.239 -14.220  -1.411
  188    H2*    C  18           H2*        C  18   4.757 -14.137   0.980
  189   2HO*    C  18          2HO*        C  18   7.043 -15.168   1.291
  190    H1*    C  18           H1*        C  18   6.183 -11.845   1.442
  191   1H4     C  18          1H4         C  18   0.882  -9.774  -1.945
  192   2H4     C  18          2H4         C  18   0.407  -9.806  -0.260
  193    H5     C  18           H5         C  18   3.055 -10.643  -2.716
  194    H6     C  18           H6         C  18   5.148 -11.670  -1.996
  195   1H5*    C  19          2H5*        C  19   5.878 -16.761   1.882
  196   2H5*    C  19          1H5*        C  19   5.231 -18.375   1.523
  197    H4*    C  19           H4*        C  19   4.212 -17.459   3.556
  198    H3*    C  19           H3*        C  19   2.290 -17.520   1.172
  199    H2*    C  19           H2*        C  19   0.585 -16.973   2.809
  200   2HO*    C  19          2HO*        C  19   1.737 -18.369   4.458
  201    H1*    C  19           H1*        C  19   2.115 -14.979   3.965
  202   1H4     C  19          1H4         C  19  -1.215 -12.013  -0.555
  203   2H4     C  19          2H4         C  19  -0.028 -12.442  -1.770
  204    H5     C  19           H5         C  19   1.895 -13.902  -1.274
  205    H6     C  19           H6         C  19   2.984 -15.224   0.464
  206    H3T    C  19           H3T        C  19   3.244 -19.515   2.039
  207   1HC   CH3   8          1HC       CH3   8  -3.946  11.743  -6.358
  208   2HC   CH3   8          2HC       CH3   8  -4.984  10.598  -7.212
  209   3HC   CH3   8          3HC       CH3   8  -4.128  10.093  -5.753
  Start of MODEL   15
    1   1H5*    G   1          1H5*        G   1  -9.853  -8.094   1.979
    2   2H5*    G   1          2H5*        G   1  -8.983  -6.866   2.920
    3    H4*    G   1           H4*        G   1  -9.266  -9.044   4.121
    4    H3*    G   1           H3*        G   1  -6.405  -8.122   3.502
    5    H2*    G   1           H2*        G   1  -5.687 -10.063   4.806
    6   2HO*    G   1          2HO*        G   1  -7.481  -9.801   6.352
    7    H1*    G   1           H1*        G   1  -7.331 -11.827   3.527
    8    H8     G   1           H8         G   1  -6.711  -9.571   0.692
    9    H1     G   1           H1         G   1  -1.422 -12.812   2.303
   10   1H2     G   1          1H2         G   1  -3.152 -13.530   5.224
   11   2H2     G   1          2H2         G   1  -1.685 -13.740   4.294
   12    H5T    G   1           H5T        G   1  -7.987  -8.475   0.807
   13   1H5*    G   2          2H5*        G   2  -6.323  -9.192   7.707
   14   2H5*    G   2          1H5*        G   2  -5.574  -7.824   8.554
   15    H4*    G   2           H4*        G   2  -4.427  -9.947   9.063
   16    H3*    G   2           H3*        G   2  -2.800  -7.939   7.406
   17    H2*    G   2           H2*        G   2  -0.950  -9.507   7.643
   18   2HO*    G   2          2HO*        G   2  -0.896 -10.952   9.232
   19    H1*    G   2           H1*        G   2  -2.437 -11.742   7.026
   20    H8     G   2           H8         G   2  -3.941  -9.090   4.858
   21    H1     G   2           H1         G   2   1.792 -11.052   2.763
   22   1H2     G   2          1H2         G   2   2.064 -12.542   5.880
   23   2H2     G   2          2H2         G   2   2.781 -12.285   4.306
   24   1H5*    C   3          1H5*        C   3   0.031  -9.028  10.142
   25   2H5*    C   3          2H5*        C   3   0.854  -7.562  10.716
   26    H4*    C   3           H4*        C   3   2.420  -9.072   9.567
   27    H3*    C   3           H3*        C   3   1.816  -6.442   8.108
   28    H2*    C   3           H2*        C   3   3.492  -7.147   6.478
   29   2HO*    C   3          2HO*        C   3   4.829  -8.127   8.229
   30    H1*    C   3           H1*        C   3   2.490  -9.670   6.174
   31   1H4     C   3          1H4         C   3  -0.853  -6.204   2.036
   32   2H4     C   3          2H4         C   3  -2.014  -5.773   3.272
   33    H5     C   3           H5         C   3  -1.725  -6.417   5.631
   34    H6     C   3           H6         C   3  -0.255  -7.560   7.208
   35   1H5*    U   4          2H5*        U   4   6.244  -6.659   8.265
   36   2H5*    U   4          1H5*        U   4   6.778  -5.012   8.658
   37    H4*    U   4           H4*        U   4   7.800  -5.825   6.567
   38    H3*    U   4           H3*        U   4   5.754  -3.562   6.177
   39    H2*    U   4           H2*        U   4   6.550  -3.558   3.866
   40   2HO*    U   4          2HO*        U   4   8.473  -4.340   3.348
   41    H1*    U   4           H1*        U   4   6.438  -6.304   3.601
   42    H3     U   4           H3         U   4   2.847  -4.768   1.289
   43    H5     U   4           H5         U   4   1.660  -4.498   5.323
   44    H6     U   4           H6         U   4   3.929  -5.106   5.953
   45   1H5*    G   5          2H5*        G   5   9.363  -2.830   4.099
   46   2H5*    G   5          1H5*        G   5   9.820  -1.116   4.165
   47    H4*    G   5           H4*        G   5   9.674  -1.959   1.843
   48    H3*    G   5           H3*        G   5   7.508   0.095   2.585
   49    H2*    G   5           H2*        G   5   7.002   0.052   0.201
   50   2HO*    G   5          2HO*        G   5   8.545  -0.353  -1.185
   51    H1*    G   5           H1*        G   5   7.167  -2.715  -0.008
   52    H8     G   5           H8         G   5   5.488  -2.013   3.279
   53    H1     G   5           H1         G   5   1.615  -1.134  -1.758
   54   1H2     G   5          1H2         G   5   2.800  -1.131  -3.626
   55   2H2     G   5          2H2         G   5   4.537  -1.335  -3.617
   56   1H5*    G   6          1H5*        G   6   9.938   0.998  -0.849
   57   2H5*    G   6          2H5*        G   6  10.167   2.726  -1.183
   58    H4*    G   6           H4*        G   6   9.232   1.420  -3.111
   59    H3*    G   6           H3*        G   6   7.482   3.660  -1.944
   60    H2*    G   6           H2*        G   6   5.991   3.193  -3.828
   61   2HO*    G   6          2HO*        G   6   7.909   2.772  -5.247
   62    H1*    G   6           H1*        G   6   6.026   0.469  -3.474
   63    H8     G   6           H8         G   6   6.265   1.757   0.034
   64    H1     G   6           H1         G   6   0.410   2.453  -2.479
   65   1H2     G   6          1H2         G   6   0.485   2.142  -4.667
   66   2H2     G   6          2H2         G   6   1.970   1.715  -5.487
   67   1H5*    C   7          1H5*        C   7   7.626   4.357  -6.078
   68   2H5*    C   7          2H5*        C   7   7.676   6.092  -6.450
   69    H4*    C   7           H4*        C   7   5.661   4.943  -7.366
   70    H3*    C   7           H3*        C   7   5.209   7.118  -5.251
   71    H2*    C   7           H2*        C   7   2.823   6.766  -5.607
   72   2HO*    C   7          2HO*        C   7   3.386   6.340  -8.003
   73    H1*    C   7           H1*        C   7   2.937   4.031  -5.489
   74   1H4     C   7          1H4         C   7   2.140   5.809   0.549
   75   2H4     C   7          2H4         C   7   3.862   6.049   0.757
   76    H5     C   7           H5         C   7   5.460   5.795  -1.106
   77    H6     C   7           H6         C   7   5.661   5.333  -3.494
   78   1H5*   +U   8          1H5*       +U   8   2.212   9.585  -8.288
   79   2H5*   +U   8          2H5*       +U   8   2.328   7.865  -7.861
   80    H4*   +U   8           H4*       +U   8   0.138   8.745  -7.229
   81    H3*   +U   8           H3*       +U   8   1.742  10.845  -5.682
   82    H2*   +U   8           H2*       +U   8   0.026  10.769  -3.977
   83    H1*   +U   8           H1*       +U   8  -0.237   8.022  -3.917
   84    H3    +U   8           H3        +U   8   2.135   8.527  -0.143
   85    H5    +U   8           H5        +U   8   4.872   9.644  -3.140
   86    H6    +U   8           H6        +U   8   3.082   9.401  -4.764
   87   1H5*    G   9          1H5*        G   9  -2.576  12.210  -5.578
   88   2H5*    G   9          2H5*        G   9  -2.381  12.509  -7.316
   89    H4*    G   9           H4*        G   9  -4.283  13.759  -6.265
   90    H3*    G   9           H3*        G   9  -2.774  14.836  -8.258
   91    H2*    G   9           H2*        G   9  -0.997  15.603  -6.714
   92   2HO*    G   9          2HO*        G   9  -2.877  17.699  -7.217
   93    H1*    G   9           H1*        G   9  -3.226  16.875  -5.051
   94    H8     G   9           H8         G   9   0.397  15.593  -5.235
   95    H1     G   9           H1         G   9  -1.335  17.994   0.454
   96   1H2     G   9          1H2         G   9  -3.518  18.396   0.460
   97   2H2     G   9          2H2         G   9  -4.518  18.077  -0.939
   98   1H5*    U  10          1H5*        U  10  -8.209  15.118  -6.321
   99   2H5*    U  10          2H5*        U  10  -7.160  16.327  -5.555
  100    H4*    U  10           H4*        U  10  -8.474  14.954  -3.935
  101    H3*    U  10           H3*        U  10  -5.716  15.589  -3.612
  102    H2*    U  10           H2*        U  10  -4.958  13.322  -4.053
  103   2HO*    U  10          2HO*        U  10  -5.291  12.253  -1.769
  104    H1*    U  10           H1*        U  10  -7.505  12.364  -2.644
  105    H3     U  10           H3         U  10  -6.915   8.000  -3.472
  106    H5     U  10           H5         U  10  -4.567   9.809  -6.468
  107    H6     U  10           H6         U  10  -5.265  11.971  -5.607
  108   1H5*    U  11          2H5*        U  11  -6.524  13.893   0.465
  109   2H5*    U  11          1H5*        U  11  -6.651  15.267   1.583
  110    H4*    U  11           H4*        U  11  -5.225  13.453   2.464
  111    H3*    U  11           H3*        U  11  -4.493  16.113   2.706
  112    H2*    U  11           H2*        U  11  -3.164  16.019   0.605
  113   2HO*    U  11          2HO*        U  11  -1.451  15.409   2.819
  114    H1*    U  11           H1*        U  11  -2.078  13.419   1.817
  115    H3     U  11           H3         U  11   1.160  13.427  -1.347
  116    H5     U  11           H5         U  11  -2.440  13.441  -3.534
  117    H6     U  11           H6         U  11  -3.618  13.839  -1.447
  118   1H5*    C  12          1H5*        C  12  -6.788  13.619   4.132
  119   2H5*    C  12          2H5*        C  12  -6.794  12.318   5.339
  120    H4*    C  12           H4*        C  12  -7.749  11.849   2.966
  121    H3*    C  12           H3*        C  12  -6.484  10.007   4.759
  122    H2*    C  12           H2*        C  12  -4.464   9.855   3.421
  123   2HO*    C  12          2HO*        C  12  -6.130   8.245   1.778
  124    H1*    C  12           H1*        C  12  -6.260  10.214   0.960
  125   1H4     C  12          1H4         C  12  -0.756  10.578  -2.153
  126   2H4     C  12          2H4         C  12   0.154  10.920  -0.699
  127    H5     C  12           H5         C  12  -0.914  11.076   1.515
  128    H6     C  12           H6         C  12  -3.047  11.031   2.694
  129   1H5*    G  13          2H5*        G  13  -8.649   8.675   0.974
  130   2H5*    G  13          1H5*        G  13  -9.269   7.026   0.768
  131    H4*    G  13           H4*        G  13  -7.958   7.909  -1.191
  132    H3*    G  13           H3*        G  13  -6.764   5.450   0.224
  133    H2*    G  13           H2*        G  13  -5.239   5.422  -1.658
  134   2HO*    G  13          2HO*        G  13  -5.847   6.122  -3.588
  135    H1*    G  13           H1*        G  13  -5.084   8.264  -1.850
  136    H8     G  13           H8         G  13  -4.345   7.809   1.675
  137    H1     G  13           H1         G  13   0.310   5.302  -1.948
  138   1H2     G  13          1H2         G  13  -1.991   5.603  -4.528
  139   2H2     G  13          2H2         G  13  -0.366   5.163  -4.051
  140   1H5*    C  14          2H5*        C  14  -7.570   4.638  -4.158
  141   2H5*    C  14          1H5*        C  14  -8.190   2.976  -4.234
  142    H4*    C  14           H4*        C  14  -6.339   3.348  -5.830
  143    H3*    C  14           H3*        C  14  -5.708   1.433  -3.511
  144    H2*    C  14           H2*        C  14  -3.607   1.026  -4.686
  145   2HO*    C  14          2HO*        C  14  -3.451   1.345  -6.783
  146    H1*    C  14           H1*        C  14  -3.061   3.680  -5.114
  147   1H4     C  14          1H4         C  14  -2.013   2.657   1.353
  148   2H4     C  14          2H4         C  14  -0.478   2.418   0.545
  149    H5     C  14           H5         C  14  -4.094   3.114   0.114
  150    H6     C  14           H6         C  14  -5.060   3.376  -2.110
  151   1H5*    C  15          2H5*        C  15  -4.776   0.114  -7.466
  152   2H5*    C  15          1H5*        C  15  -4.854  -1.639  -7.733
  153    H4*    C  15           H4*        C  15  -2.647  -0.609  -8.329
  154    H3*    C  15           H3*        C  15  -2.651  -2.692  -6.069
  155    H2*    C  15           H2*        C  15  -0.203  -2.495  -6.197
  156   2HO*    C  15          2HO*        C  15  -0.495  -2.070  -8.643
  157    H1*    C  15           H1*        C  15  -0.222   0.231  -6.079
  158   1H4     C  15          1H4         C  15  -0.408  -1.502   0.031
  159   2H4     C  15          2H4         C  15  -2.147  -1.697  -0.030
  160    H5     C  15           H5         C  15  -3.435  -1.353  -2.101
  161    H6     C  15           H6         C  15  -3.263  -0.921  -4.494
  162   1H5*    A  16          2H5*        A  16   0.348  -3.567  -8.813
  163   2H5*    A  16          1H5*        A  16   0.591  -5.306  -9.072
  164    H4*    A  16           H4*        A  16   2.635  -4.140  -8.254
  165    H3*    A  16           H3*        A  16   1.416  -6.217  -6.343
  166    H2*    A  16           H2*        A  16   3.437  -5.847  -5.017
  167   2HO*    A  16          2HO*        A  16   4.772  -5.668  -6.997
  168    H1*    A  16           H1*        A  16   3.319  -3.096  -5.198
  169    H8     A  16           H8         A  16  -0.284  -4.013  -4.976
  170   1H6     A  16          1H6         A  16   0.553  -4.726   1.115
  171   2H6     A  16          2H6         A  16  -0.621  -4.779  -0.181
  172    H2     A  16           H2         A  16   4.577  -4.529  -0.809
  173   1H5*    G  17          1H5*        G  17   5.628  -7.494  -6.962
  174   2H5*    G  17          2H5*        G  17   5.559  -9.253  -7.191
  175    H4*    G  17           H4*        G  17   7.108  -8.651  -5.381
  176    H3*    G  17           H3*        G  17   4.549 -10.085  -4.477
  177    H2*    G  17           H2*        G  17   5.564 -10.095  -2.251
  178   2HO*    G  17          2HO*        G  17   7.738 -10.477  -3.103
  179    H1*    G  17           H1*        G  17   6.225  -7.447  -2.289
  180    H8     G  17           H8         G  17   3.117  -7.670  -4.413
  181    H1     G  17           H1         G  17   1.914  -7.934   1.877
  182   1H2     G  17          1H2         G  17   5.350  -8.322   2.179
  183   2H2     G  17          2H2         G  17   3.797  -8.322   2.984
  184   1H5*    C  18          2H5*        C  18   7.832 -12.568  -2.973
  185   2H5*    C  18          1H5*        C  18   7.377 -14.276  -3.145
  186    H4*    C  18           H4*        C  18   7.881 -13.666  -0.798
  187    H3*    C  18           H3*        C  18   4.974 -14.439  -1.407
  188    H2*    C  18           H2*        C  18   4.593 -14.239   0.997
  189   2HO*    C  18          2HO*        C  18   6.935 -15.089   1.285
  190    H1*    C  18           H1*        C  18   5.854 -11.821   1.250
  191   1H4     C  18          1H4         C  18   0.250 -10.347  -1.946
  192   2H4     C  18          2H4         C  18  -0.165 -10.405  -0.247
  193    H5     C  18           H5         C  18   2.452 -11.066  -2.788
  194    H6     C  18           H6         C  18   4.654 -11.879  -2.130
  195   1H5*    C  19          1H5*        C  19   6.101 -16.719   1.975
  196   2H5*    C  19          2H5*        C  19   5.475 -18.377   1.854
  197    H4*    C  19           H4*        C  19   4.644 -17.243   3.876
  198    H3*    C  19           H3*        C  19   2.516 -17.723   1.728
  199    H2*    C  19           H2*        C  19   0.922 -16.987   3.407
  200   2HO*    C  19          2HO*        C  19   2.299 -18.029   5.149
  201    H1*    C  19           H1*        C  19   2.377 -14.749   4.038
  202   1H4     C  19          1H4         C  19  -0.122 -13.582  -1.999
  203   2H4     C  19          2H4         C  19  -1.170 -12.795  -0.839
  204    H5     C  19           H5         C  19   1.887 -14.838  -1.307
  205    H6     C  19           H6         C  19   3.096 -15.735   0.612
  206    H3T    C  19           H3T        C  19   3.624 -19.521   2.808
  207   1HC   CH3   8          1HC       CH3   8  -1.785   9.328  -3.164
  208   2HC   CH3   8          2HC       CH3   8  -3.227   9.410  -4.176
  209   3HC   CH3   8          3HC       CH3   8  -2.435  10.897  -3.650
  Start of MODEL   16
    1   1H5*    G   1          2H5*        G   1  -7.806  -7.148   1.924
    2   2H5*    G   1          1H5*        G   1  -9.550  -6.943   2.184
    3    H4*    G   1           H4*        G   1  -9.425  -8.090   4.316
    4    H3*    G   1           H3*        G   1  -6.404  -7.966   3.911
    5    H2*    G   1           H2*        G   1  -6.219 -10.197   4.868
    6   2HO*    G   1          2HO*        G   1  -8.007  -9.687   6.419
    7    H1*    G   1           H1*        G   1  -8.109 -11.344   3.326
    8    H8     G   1           H8         G   1  -7.374  -8.951   0.754
    9    H1     G   1           H1         G   1  -2.173 -12.511   1.916
   10   1H2     G   1          1H2         G   1  -2.393 -13.565   3.846
   11   2H2     G   1          2H2         G   1  -3.820 -13.381   4.841
   12    H5T    G   1           H5T        G   1  -7.451  -5.819   3.741
   13   1H5*    G   2          2H5*        G   2  -6.434  -8.761   8.006
   14   2H5*    G   2          1H5*        G   2  -5.390  -7.639   8.902
   15    H4*    G   2           H4*        G   2  -4.595  -9.965   9.085
   16    H3*    G   2           H3*        G   2  -2.786  -8.070   7.487
   17    H2*    G   2           H2*        G   2  -1.221  -9.938   7.370
   18   2HO*    G   2          2HO*        G   2  -1.884 -10.581   9.635
   19    H1*    G   2           H1*        G   2  -3.104 -11.787   6.620
   20    H8     G   2           H8         G   2  -4.522  -8.869   4.894
   21    H1     G   2           H1         G   2   1.010 -10.713   2.233
   22   1H2     G   2          1H2         G   2   2.081 -12.089   3.596
   23   2H2     G   2          2H2         G   2   1.412 -12.560   5.143
   24   1H5*    C   3          1H5*        C   3   0.157  -9.280  10.272
   25   2H5*    C   3          2H5*        C   3   0.928  -7.797  10.872
   26    H4*    C   3           H4*        C   3   2.559  -9.240   9.737
   27    H3*    C   3           H3*        C   3   1.881  -6.644   8.246
   28    H2*    C   3           H2*        C   3   3.639  -7.299   6.679
   29   2HO*    C   3          2HO*        C   3   4.880  -8.257   8.583
   30    H1*    C   3           H1*        C   3   2.741  -9.872   6.388
   31   1H4     C   3          1H4         C   3  -1.747  -6.166   3.220
   32   2H4     C   3          2H4         C   3  -0.482  -6.511   2.061
   33    H5     C   3           H5         C   3  -1.591  -6.857   5.580
   34    H6     C   3           H6         C   3  -0.169  -7.947   7.235
   35   1H5*    U   4          1H5*        U   4   6.178  -6.891   8.199
   36   2H5*    U   4          2H5*        U   4   6.777  -5.302   8.715
   37    H4*    U   4           H4*        U   4   7.756  -5.931   6.563
   38    H3*    U   4           H3*        U   4   5.683  -3.671   6.336
   39    H2*    U   4           H2*        U   4   6.473  -3.504   4.029
   40   2HO*    U   4          2HO*        U   4   8.532  -3.913   3.761
   41    H1*    U   4           H1*        U   4   6.391  -6.230   3.588
   42    H3     U   4           H3         U   4   2.780  -4.590   1.377
   43    H5     U   4           H5         U   4   1.595  -4.585   5.418
   44    H6     U   4           H6         U   4   3.866  -5.214   6.008
   45   1H5*    G   5          2H5*        G   5   9.449  -2.483   4.656
   46   2H5*    G   5          1H5*        G   5   9.735  -0.736   4.783
   47    H4*    G   5           H4*        G   5   9.757  -1.595   2.433
   48    H3*    G   5           H3*        G   5   7.493   0.379   3.104
   49    H2*    G   5           H2*        G   5   7.095   0.342   0.699
   50   2HO*    G   5          2HO*        G   5   8.687  -0.048  -0.646
   51    H1*    G   5           H1*        G   5   7.394  -2.419   0.473
   52    H8     G   5           H8         G   5   5.463  -1.900   3.644
   53    H1     G   5           H1         G   5   1.937  -0.885  -1.617
   54   1H2     G   5          1H2         G   5   3.250  -0.762  -3.393
   55   2H2     G   5          2H2         G   5   4.984  -0.963  -3.273
   56   1H5*    G   6          1H5*        G   6   9.928   1.486  -0.248
   57   2H5*    G   6          2H5*        G   6  10.057   3.235  -0.527
   58    H4*    G   6           H4*        G   6   9.170   1.934  -2.486
   59    H3*    G   6           H3*        G   6   7.328   4.051  -1.235
   60    H2*    G   6           H2*        G   6   5.822   3.551  -3.100
   61   2HO*    G   6          2HO*        G   6   7.527   3.282  -4.669
   62    H1*    G   6           H1*        G   6   5.951   0.842  -2.773
   63    H8     G   6           H8         G   6   6.343   2.082   0.738
   64    H1     G   6           H1         G   6   0.339   2.659  -1.439
   65   1H2     G   6          1H2         G   6   1.752   1.992  -4.538
   66   2H2     G   6          2H2         G   6   0.310   2.414  -3.641
   67   1H5*    C   7          2H5*        C   7   7.712   4.916  -5.556
   68   2H5*    C   7          1H5*        C   7   7.647   6.671  -5.813
   69    H4*    C   7           H4*        C   7   5.876   5.395  -7.044
   70    H3*    C   7           H3*        C   7   4.971   7.430  -4.932
   71    H2*    C   7           H2*        C   7   2.690   6.904  -5.634
   72   2HO*    C   7          2HO*        C   7   3.469   6.653  -7.927
   73    H1*    C   7           H1*        C   7   3.006   4.202  -5.505
   74   1H4     C   7          1H4         C   7   3.161   6.097   0.836
   75   2H4     C   7          2H4         C   7   1.473   5.869   0.429
   76    H5     C   7           H5         C   7   4.953   5.924  -0.844
   77    H6     C   7           H6         C   7   5.425   5.533  -3.204
   78   1H5*   +U   8          1H5*       +U   8   2.598   9.741  -9.004
   79   2H5*   +U   8          2H5*       +U   8   2.514   7.988  -8.736
   80    H4*   +U   8           H4*       +U   8   0.275   8.900  -9.098
   81    H3*   +U   8           H3*       +U   8   0.956  10.767  -6.763
   82    H2*   +U   8           H2*       +U   8  -1.396  10.627  -6.142
   83    H1*   +U   8           H1*       +U   8  -1.556   7.902  -6.336
   84    H3    +U   8           H3        +U   8  -1.130   8.697  -1.874
   85    H5    +U   8           H5        +U   8   2.807   8.853  -3.373
   86    H6    +U   8           H6        +U   8   1.877   8.765  -5.615
   87   1H5*    G   9          2H5*        G   9  -2.501  12.411  -7.015
   88   2H5*    G   9          1H5*        G   9  -2.286  13.277  -8.549
   89    H4*    G   9           H4*        G   9  -3.851  14.422  -6.985
   90    H3*    G   9           H3*        G   9  -2.126  15.844  -8.525
   91    H2*    G   9           H2*        G   9  -0.227  15.531  -6.966
   92   2HO*    G   9          2HO*        G   9  -1.546  18.022  -6.479
   93    H1*    G   9           H1*        G   9  -2.082  16.527  -4.750
   94    H8     G   9           H8         G   9   0.860  14.157  -5.712
   95    H1     G   9           H1         G   9   0.399  15.689   0.497
   96   1H2     G   9          1H2         G   9  -2.506  17.331  -0.478
   97   2H2     G   9          2H2         G   9  -1.436  16.892   0.835
   98   1H5*    U  10          2H5*        U  10  -6.933  17.616  -5.748
   99   2H5*    U  10          1H5*        U  10  -5.341  17.730  -4.972
  100    H4*    U  10           H4*        U  10  -7.160  16.968  -3.440
  101    H3*    U  10           H3*        U  10  -4.595  15.900  -3.399
  102    H2*    U  10           H2*        U  10  -5.181  14.011  -4.865
  103   2HO*    U  10          2HO*        U  10  -5.661  13.284  -2.137
  104    H1*    U  10           H1*        U  10  -7.717  13.753  -3.164
  105    H3     U  10           H3         U  10  -9.226  10.192  -5.410
  106    H5     U  10           H5         U  10  -7.239  12.373  -8.419
  107    H6     U  10           H6         U  10  -6.627  14.007  -6.725
  108   1H5*    U  11          2H5*        U  11  -5.948  13.631   0.416
  109   2H5*    U  11          1H5*        U  11  -5.638  14.825   1.693
  110    H4*    U  11           H4*        U  11  -4.777  12.624   2.329
  111    H3*    U  11           H3*        U  11  -3.224  14.835   2.737
  112    H2*    U  11           H2*        U  11  -2.293  14.703   0.424
  113   2HO*    U  11          2HO*        U  11  -0.476  13.347   2.176
  114    H1*    U  11           H1*        U  11  -1.728  11.783   1.158
  115    H3     U  11           H3         U  11   0.809  11.570  -2.592
  116    H5     U  11           H5         U  11  -3.024  12.638  -3.973
  117    H6     U  11           H6         U  11  -3.691  12.935  -1.650
  118   1H5*    C  12          1H5*        C  12  -5.728  12.891   4.293
  119   2H5*    C  12          2H5*        C  12  -6.035  11.625   5.498
  120    H4*    C  12           H4*        C  12  -7.171  11.454   3.173
  121    H3*    C  12           H3*        C  12  -6.596   9.373   4.905
  122    H2*    C  12           H2*        C  12  -4.444   8.784   3.961
  123   2HO*    C  12          2HO*        C  12  -6.039   7.037   3.654
  124    H1*    C  12           H1*        C  12  -5.431   9.229   1.130
  125   1H4     C  12          1H4         C  12   0.850   9.161   0.209
  126   2H4     C  12          2H4         C  12   1.179   9.651   1.857
  127    H5     C  12           H5         C  12  -0.605  10.167   3.456
  128    H6     C  12           H6         C  12  -3.017  10.276   3.767
  129   1H5*    G  13          1H5*        G  13  -8.919   8.542   0.954
  130   2H5*    G  13          2H5*        G  13  -9.820   7.030   0.720
  131    H4*    G  13           H4*        G  13  -8.381   7.723  -1.233
  132    H3*    G  13           H3*        G  13  -7.726   5.044   0.123
  133    H2*    G  13           H2*        G  13  -6.046   4.783  -1.566
  134   2HO*    G  13          2HO*        G  13  -7.243   5.077  -3.395
  135    H1*    G  13           H1*        G  13  -5.597   7.620  -1.923
  136    H8     G  13           H8         G  13  -4.932   6.657   1.628
  137    H1     G  13           H1         G  13  -0.116   5.216  -2.350
  138   1H2     G  13          1H2         G  13  -0.799   5.371  -4.448
  139   2H2     G  13          2H2         G  13  -2.415   5.904  -4.852
  140   1H5*    C  14          2H5*        C  14  -8.090   1.517  -3.484
  141   2H5*    C  14          1H5*        C  14  -7.051   2.088  -2.162
  142    H4*    C  14           H4*        C  14  -6.624   2.679  -5.114
  143    H3*    C  14           H3*        C  14  -5.275   0.659  -3.240
  144    H2*    C  14           H2*        C  14  -3.238   1.080  -4.516
  145   2HO*    C  14          2HO*        C  14  -3.370   1.720  -6.533
  146    H1*    C  14           H1*        C  14  -3.444   3.803  -4.420
  147   1H4     C  14          1H4         C  14  -0.403   2.167   0.933
  148   2H4     C  14          2H4         C  14  -1.925   2.049   1.788
  149    H5     C  14           H5         C  14  -4.089   2.419   0.671
  150    H6     C  14           H6         C  14  -5.169   2.805  -1.480
  151   1H5*    C  15          2H5*        C  15  -4.175   0.196  -7.304
  152   2H5*    C  15          1H5*        C  15  -4.075  -1.496  -7.833
  153    H4*    C  15           H4*        C  15  -2.003  -0.235  -8.330
  154    H3*    C  15           H3*        C  15  -1.766  -2.485  -6.258
  155    H2*    C  15           H2*        C  15   0.637  -2.003  -6.261
  156   2HO*    C  15          2HO*        C  15   0.535  -1.478  -8.628
  157    H1*    C  15           H1*        C  15   0.328   0.667  -5.882
  158   1H4     C  15          1H4         C  15  -0.109  -1.677   0.011
  159   2H4     C  15          2H4         C  15  -1.823  -1.970  -0.192
  160    H5     C  15           H5         C  15  -2.994  -1.496  -2.301
  161    H6     C  15           H6         C  15  -2.698  -0.831  -4.626
  162   1H5*    A  16          2H5*        A  16   1.563  -2.985  -8.759
  163   2H5*    A  16          1H5*        A  16   1.732  -4.707  -9.158
  164    H4*    A  16           H4*        A  16   3.761  -3.840  -8.076
  165    H3*    A  16           H3*        A  16   2.149  -5.810  -6.354
  166    H2*    A  16           H2*        A  16   4.048  -5.688  -4.821
  167   2HO*    A  16          2HO*        A  16   5.620  -5.612  -6.593
  168    H1*    A  16           H1*        A  16   4.212  -2.944  -4.888
  169    H8     A  16           H8         A  16   0.528  -3.633  -5.187
  170   1H6     A  16          1H6         A  16  -0.483  -4.322  -0.476
  171   2H6     A  16          2H6         A  16   0.516  -4.482   0.952
  172    H2     A  16           H2         A  16   4.760  -4.353  -0.410
  173   1H5*    G  17          1H5*        G  17   6.288  -7.446  -6.682
  174   2H5*    G  17          2H5*        G  17   6.103  -9.194  -6.936
  175    H4*    G  17           H4*        G  17   7.588  -8.684  -5.026
  176    H3*    G  17           H3*        G  17   4.910  -9.989  -4.268
  177    H2*    G  17           H2*        G  17   5.861 -10.126  -2.025
  178   2HO*    G  17          2HO*        G  17   8.021 -10.663  -2.971
  179    H1*    G  17           H1*        G  17   6.870  -7.542  -2.048
  180    H8     G  17           H8         G  17   3.599  -7.300  -3.858
  181    H1     G  17           H1         G  17   2.918  -7.844   2.493
  182   1H2     G  17          1H2         G  17   6.278  -8.698   2.451
  183   2H2     G  17          2H2         G  17   4.828  -8.483   3.404
  184   1H5*    C  18          1H5*        C  18   7.813 -12.656  -2.390
  185   2H5*    C  18          2H5*        C  18   7.275 -14.292  -2.821
  186    H4*    C  18           H4*        C  18   7.444 -14.030  -0.385
  187    H3*    C  18           H3*        C  18   4.584 -14.309  -1.464
  188    H2*    C  18           H2*        C  18   3.885 -14.339   0.870
  189   2HO*    C  18          2HO*        C  18   5.978 -15.595   1.353
  190    H1*    C  18           H1*        C  18   5.453 -12.208   1.636
  191   1H4     C  18          1H4         C  18  -0.028  -9.537  -0.127
  192   2H4     C  18          2H4         C  18   0.486  -9.488  -1.800
  193    H5     C  18           H5         C  18   2.585 -10.533  -2.564
  194    H6     C  18           H6         C  18   4.555 -11.780  -1.845
  195   1H5*    C  19          2H5*        C  19   4.909 -17.195   1.568
  196   2H5*    C  19          1H5*        C  19   4.108 -18.715   1.119
  197    H4*    C  19           H4*        C  19   3.121 -17.745   3.155
  198    H3*    C  19           H3*        C  19   1.298 -17.589   0.700
  199    H2*    C  19           H2*        C  19  -0.415 -16.892   2.271
  200   2HO*    C  19          2HO*        C  19   0.495 -18.401   3.954
  201    H1*    C  19           H1*        C  19   1.242 -15.060   3.507
  202   1H4     C  19          1H4         C  19  -0.414 -12.384  -2.335
  203   2H4     C  19          2H4         C  19  -1.512 -11.734  -1.135
  204    H5     C  19           H5         C  19   1.293 -14.076  -1.774
  205    H6     C  19           H6         C  19   2.171 -15.489   0.012
  206    H3T    C  19           H3T        C  19   2.003 -19.677   1.563
  207   1HC   CH3   8          1HC       CH3   8  -4.135   9.645  -8.092
  208   2HC   CH3   8          2HC       CH3   8  -3.550  10.621  -6.742
  209   3HC   CH3   8          3HC       CH3   8  -3.424   8.861  -6.679
  Start of MODEL   17
    1   1H5*    G   1          2H5*        G   1  -9.521  -6.563   3.024
    2   2H5*    G   1          1H5*        G   1  -8.812  -7.668   1.828
    3    H4*    G   1           H4*        G   1 -10.032  -8.504   4.484
    4    H3*    G   1           H3*        G   1  -7.121  -8.062   3.652
    5    H2*    G   1           H2*        G   1  -6.542 -10.021   5.000
    6   2HO*    G   1          2HO*        G   1  -8.250  -9.455   6.611
    7    H1*    G   1           H1*        G   1  -8.364 -11.649   3.866
    8    H8     G   1           H8         G   1  -8.109  -9.543   0.923
    9    H1     G   1           H1         G   1  -2.527 -12.490   2.022
   10   1H2     G   1          1H2         G   1  -3.862 -13.143   5.154
   11   2H2     G   1          2H2         G   1  -2.494 -13.301   4.077
   12    H5T    G   1           H5T        G   1 -10.947  -8.737   1.896
   13   1H5*    G   2          2H5*        G   2  -6.739  -8.782   7.743
   14   2H5*    G   2          1H5*        G   2  -5.817  -7.472   8.508
   15    H4*    G   2           H4*        G   2  -4.787  -9.664   8.942
   16    H3*    G   2           H3*        G   2  -3.191  -7.770   7.135
   17    H2*    G   2           H2*        G   2  -1.440  -9.476   7.142
   18   2HO*    G   2          2HO*        G   2  -1.943 -10.021   9.439
   19    H1*    G   2           H1*        G   2  -3.103 -11.534   6.516
   20    H8     G   2           H8         G   2  -4.938  -8.842   4.785
   21    H1     G   2           H1         G   2   0.600 -10.195   1.859
   22   1H2     G   2          1H2         G   2   1.890 -11.393   3.199
   23   2H2     G   2          2H2         G   2   1.377 -11.848   4.809
   24   1H5*    C   3          1H5*        C   3  -0.265  -8.790  10.013
   25   2H5*    C   3          2H5*        C   3   0.564  -7.311  10.541
   26    H4*    C   3           H4*        C   3   2.143  -8.918   9.552
   27    H3*    C   3           H3*        C   3   1.670  -6.367   7.910
   28    H2*    C   3           H2*        C   3   3.424  -7.209   6.428
   29   2HO*    C   3          2HO*        C   3   4.634  -8.114   8.304
   30    H1*    C   3           H1*        C   3   2.360  -9.716   6.212
   31   1H4     C   3          1H4         C   3  -1.886  -5.915   2.840
   32   2H4     C   3          2H4         C   3  -0.590  -6.301   1.729
   33    H5     C   3           H5         C   3  -1.836  -6.601   5.205
   34    H6     C   3           H6         C   3  -0.500  -7.705   6.918
   35   1H5*    U   4          2H5*        U   4   5.939  -6.710   8.230
   36   2H5*    U   4          1H5*        U   4   6.612  -5.098   8.548
   37    H4*    U   4           H4*        U   4   7.557  -6.107   6.500
   38    H3*    U   4           H3*        U   4   5.753  -3.663   6.028
   39    H2*    U   4           H2*        U   4   6.508  -3.831   3.707
   40   2HO*    U   4          2HO*        U   4   8.317  -4.851   3.193
   41    H1*    U   4           H1*        U   4   6.065  -6.540   3.535
   42    H3     U   4           H3         U   4   2.625  -4.487   1.340
   43    H5     U   4           H5         U   4   1.526  -4.363   5.405
   44    H6     U   4           H6         U   4   3.741  -5.202   5.952
   45   1H5*    G   5          1H5*        G   5   9.334  -3.359   3.939
   46   2H5*    G   5          2H5*        G   5  10.007  -1.718   3.901
   47    H4*    G   5           H4*        G   5   9.652  -2.683   1.633
   48    H3*    G   5           H3*        G   5   7.893  -0.254   2.318
   49    H2*    G   5           H2*        G   5   7.289  -0.343  -0.050
   50   2HO*    G   5          2HO*        G   5   9.331  -0.811  -0.913
   51    H1*    G   5           H1*        G   5   6.918  -3.089  -0.065
   52    H8     G   5           H8         G   5   5.518  -2.244   3.243
   53    H1     G   5           H1         G   5   1.839  -0.042  -1.525
   54   1H2     G   5          1H2         G   5   2.968  -0.084  -3.428
   55   2H2     G   5          2H2         G   5   4.601  -0.705  -3.517
   56   1H5*    G   6          2H5*        G   6  10.218   0.667  -1.256
   57   2H5*    G   6          1H5*        G   6  10.678   2.381  -1.262
   58    H4*    G   6           H4*        G   6   9.402   1.674  -3.294
   59    H3*    G   6           H3*        G   6   8.075   3.771  -1.480
   60    H2*    G   6           H2*        G   6   6.383   3.919  -3.239
   61   2HO*    G   6          2HO*        G   6   7.939   3.724  -4.984
   62    H1*    G   6           H1*        G   6   6.091   1.197  -3.506
   63    H8     G   6           H8         G   6   6.736   1.515   0.144
   64    H1     G   6           H1         G   6   0.909   3.634  -1.495
   65   1H2     G   6          1H2         G   6   2.137   3.504  -4.739
   66   2H2     G   6          2H2         G   6   0.782   3.867  -3.694
   67   1H5*    C   7          2H5*        C   7   8.313   5.364  -5.579
   68   2H5*    C   7          1H5*        C   7   8.681   7.100  -5.516
   69    H4*    C   7           H4*        C   7   6.609   6.594  -6.797
   70    H3*    C   7           H3*        C   7   6.299   8.230  -4.221
   71    H2*    C   7           H2*        C   7   3.933   8.410  -4.801
   72   2HO*    C   7          2HO*        C   7   3.224   8.047  -6.807
   73    H1*    C   7           H1*        C   7   3.593   5.753  -5.309
   74   1H4     C   7          1H4         C   7   2.723   6.187   0.963
   75   2H4     C   7          2H4         C   7   4.446   6.082   1.256
   76    H5     C   7           H5         C   7   6.089   6.007  -0.577
   77    H6     C   7           H6         C   7   6.358   6.075  -2.999
   78   1H5*   +U   8          1H5*       +U   8   4.109   9.632  -7.319
   79   2H5*   +U   8          2H5*       +U   8   3.902  11.387  -7.494
   80    H4*   +U   8           H4*       +U   8   1.751  10.130  -7.228
   81    H3*   +U   8           H3*       +U   8   2.493  12.193  -5.085
   82    H2*   +U   8           H2*       +U   8   0.316  11.722  -4.092
   83    H1*   +U   8           H1*       +U   8   0.577   8.997  -4.196
   84    H3    +U   8           H3        +U   8   1.472  10.195   0.117
   85    H5    +U   8           H5        +U   8   5.115  10.729  -1.931
   86    H6    +U   8           H6        +U   8   3.917  10.337  -4.009
   87   1H5*    G   9          1H5*        G   9  -1.067  15.959  -7.681
   88   2H5*    G   9          2H5*        G   9  -1.641  15.554  -6.049
   89    H4*    G   9           H4*        G   9  -3.504  15.873  -7.660
   90    H3*    G   9           H3*        G   9  -3.614  13.906  -5.810
   91    H2*    G   9           H2*        G   9  -2.264  12.304  -7.097
   92   2HO*    G   9          2HO*        G   9  -5.054  11.911  -7.567
   93    H1*    G   9           H1*        G   9  -4.026  12.808  -9.523
   94    H8     G   9           H8         G   9  -0.381  13.777  -9.617
   95    H1     G   9           H1         G   9  -1.486   7.807 -11.682
   96   1H2     G   9          1H2         G   9  -3.559   7.211 -11.181
   97   2H2     G   9          2H2         G   9  -4.673   8.312 -10.406
   98   1H5*    U  10          2H5*        U  10  -8.343  11.827  -6.048
   99   2H5*    U  10          1H5*        U  10  -8.067  12.663  -4.507
  100    H4*    U  10           H4*        U  10  -8.422  10.243  -4.193
  101    H3*    U  10           H3*        U  10  -6.195  11.642  -3.042
  102    H2*    U  10           H2*        U  10  -4.544  10.454  -4.343
  103   2HO*    U  10          2HO*        U  10  -5.363   8.714  -2.229
  104    H1*    U  10           H1*        U  10  -6.431   8.040  -4.274
  105    H3     U  10           H3         U  10  -4.147   5.473  -7.151
  106    H5     U  10           H5         U  10  -2.569   9.304  -7.914
  107    H6     U  10           H6         U  10  -4.133  10.191  -6.284
  108   1H5*    U  11          1H5*        U  11  -6.363   9.565   0.876
  109   2H5*    U  11          2H5*        U  11  -7.245  10.795   1.793
  110    H4*    U  11           H4*        U  11  -4.814  10.479   2.434
  111    H3*    U  11           H3*        U  11  -6.168  12.910   2.476
  112    H2*    U  11           H2*        U  11  -5.420  13.522   0.205
  113   2HO*    U  11          2HO*        U  11  -4.724  15.020   2.029
  114    H1*    U  11           H1*        U  11  -2.671  12.525   1.122
  115    H3     U  11           H3         U  11  -0.567  13.322  -2.745
  116    H5     U  11           H5         U  11  -4.569  12.864  -3.970
  117    H6     U  11           H6         U  11  -5.158  12.478  -1.646
  118   1H5*    C  12          1H5*        C  12  -5.936  10.770   4.072
  119   2H5*    C  12          2H5*        C  12  -6.256  10.420   5.781
  120    H4*    C  12           H4*        C  12  -5.449   8.435   4.539
  121    H3*    C  12           H3*        C  12  -4.567   8.985   7.082
  122    H2*    C  12           H2*        C  12  -2.742  10.439   6.157
  123   2HO*    C  12          2HO*        C  12  -1.572   7.863   6.569
  124    H1*    C  12           H1*        C  12  -2.196   7.961   4.452
  125   1H4     C  12          1H4         C  12   2.644  11.486   2.357
  126   2H4     C  12          2H4         C  12   1.530  12.624   1.633
  127    H5     C  12           H5         C  12  -0.908  12.422   1.902
  128    H6     C  12           H6         C  12  -2.688  11.174   2.992
  129   1H5*    G  13          1H5*        G  13  -7.065   7.255   4.354
  130   2H5*    G  13          2H5*        G  13  -7.210   5.608   3.712
  131    H4*    G  13           H4*        G  13  -7.345   7.561   2.039
  132    H3*    G  13           H3*        G  13  -5.334   5.280   1.599
  133    H2*    G  13           H2*        G  13  -4.920   6.371  -0.562
  134   2HO*    G  13          2HO*        G  13  -7.150   7.992   0.202
  135    H1*    G  13           H1*        G  13  -4.605   8.867   0.537
  136    H8     G  13           H8         G  13  -3.231   6.951   3.311
  137    H1     G  13           H1         G  13   0.558   6.611  -1.847
  138   1H2     G  13          1H2         G  13  -2.201   7.880  -3.532
  139   2H2     G  13          2H2         G  13  -0.545   7.325  -3.631
  140   1H5*    C  14          1H5*        C  14  -7.369   5.402  -2.001
  141   2H5*    C  14          2H5*        C  14  -7.801   3.772  -2.556
  142    H4*    C  14           H4*        C  14  -6.374   4.931  -4.189
  143    H3*    C  14           H3*        C  14  -5.086   2.531  -2.777
  144    H2*    C  14           H2*        C  14  -3.178   2.897  -4.272
  145   2HO*    C  14          2HO*        C  14  -4.977   4.744  -5.506
  146    H1*    C  14           H1*        C  14  -2.985   5.563  -3.748
  147   1H4     C  14          1H4         C  14  -1.209   2.712   1.969
  148   2H4     C  14          2H4         C  14   0.249   2.836   1.009
  149    H5     C  14           H5         C  14  -3.411   3.400   1.111
  150    H6     C  14           H6         C  14  -4.607   4.215  -0.851
  151   1H5*    C  15          2H5*        C  15  -4.275   2.211  -6.882
  152   2H5*    C  15          1H5*        C  15  -4.522   0.552  -7.465
  153    H4*    C  15           H4*        C  15  -2.246   1.355  -7.959
  154    H3*    C  15           H3*        C  15  -2.414  -0.887  -5.867
  155    H2*    C  15           H2*        C  15   0.036  -0.890  -5.962
  156   2HO*    C  15          2HO*        C  15  -0.121  -0.328  -8.356
  157    H1*    C  15           H1*        C  15   0.262   1.808  -5.641
  158   1H4     C  15          1H4         C  15  -1.960  -0.442   0.197
  159   2H4     C  15          2H4         C  15  -0.213  -0.376   0.306
  160    H5     C  15           H5         C  15  -3.170   0.121  -1.874
  161    H6     C  15           H6         C  15  -2.907   0.758  -4.213
  162   1H5*    A  16          1H5*        A  16   0.530  -1.972  -8.632
  163   2H5*    A  16          2H5*        A  16   0.436  -3.695  -9.047
  164    H4*    A  16           H4*        A  16   2.657  -3.067  -8.158
  165    H3*    A  16           H3*        A  16   1.020  -4.926  -6.335
  166    H2*    A  16           H2*        A  16   3.093  -5.078  -5.042
  167   2HO*    A  16          2HO*        A  16   4.445  -5.081  -6.987
  168    H1*    A  16           H1*        A  16   3.533  -2.361  -5.042
  169    H8     A  16           H8         A  16  -0.189  -2.578  -4.883
  170   1H6     A  16          1H6         A  16  -0.722  -3.512  -0.136
  171   2H6     A  16          2H6         A  16   0.409  -3.896   1.143
  172    H2     A  16           H2         A  16   4.434  -4.244  -0.749
  173   1H5*    G  17          1H5*        G  17   4.888  -6.920  -7.288
  174   2H5*    G  17          2H5*        G  17   4.543  -8.640  -7.557
  175    H4*    G  17           H4*        G  17   6.324  -8.297  -5.875
  176    H3*    G  17           H3*        G  17   3.702  -9.463  -4.771
  177    H2*    G  17           H2*        G  17   4.972  -9.756  -2.699
  178   2HO*    G  17          2HO*        G  17   6.948 -10.349  -3.901
  179    H1*    G  17           H1*        G  17   6.027  -7.215  -2.738
  180    H8     G  17           H8         G  17   2.630  -6.710  -4.213
  181    H1     G  17           H1         G  17   2.453  -7.717   2.114
  182   1H2     G  17          1H2         G  17   4.401  -8.495   2.811
  183   2H2     G  17          2H2         G  17   5.745  -8.732   1.717
  184   1H5*    C  18          1H5*        C  18   6.757 -12.199  -3.568
  185   2H5*    C  18          2H5*        C  18   6.156 -13.864  -3.705
  186    H4*    C  18           H4*        C  18   6.861 -13.307  -1.398
  187    H3*    C  18           H3*        C  18   3.869 -13.838  -1.819
  188    H2*    C  18           H2*        C  18   3.652 -13.611   0.603
  189   2HO*    C  18          2HO*        C  18   5.844 -14.688   0.843
  190    H1*    C  18           H1*        C  18   5.110 -11.301   0.769
  191   1H4     C  18          1H4         C  18  -0.821  -9.345  -0.413
  192   2H4     C  18          2H4         C  18  -0.540  -9.431  -2.138
  193    H5     C  18           H5         C  18   1.549 -10.326  -3.089
  194    H6     C  18           H6         C  18   3.709 -11.318  -2.542
  195   1H5*    C  19          2H5*        C  19   4.865 -16.452   1.281
  196   2H5*    C  19          1H5*        C  19   4.016 -18.005   1.142
  197    H4*    C  19           H4*        C  19   3.373 -16.766   3.184
  198    H3*    C  19           H3*        C  19   1.176 -17.019   1.067
  199    H2*    C  19           H2*        C  19  -0.302 -16.081   2.752
  200   2HO*    C  19          2HO*        C  19   1.221 -17.234   4.454
  201    H1*    C  19           H1*        C  19   1.400 -14.014   3.326
  202   1H4     C  19          1H4         C  19  -0.909 -12.581  -2.714
  203   2H4     C  19          2H4         C  19  -2.057 -11.916  -1.572
  204    H5     C  19           H5         C  19   1.030 -13.927  -1.996
  205    H6     C  19           H6         C  19   2.145 -14.922  -0.067
  206    H3T    C  19           H3T        C  19   0.566 -18.712   2.445
  207   1HC   CH3   8          1HC       CH3   8  -1.367  10.479  -3.865
  208   2HC   CH3   8          2HC       CH3   8  -1.836   9.277  -5.070
  209   3HC   CH3   8          3HC       CH3   8  -2.468  10.922  -5.171
  Start of MODEL   18
    1   1H5*    G   1          1H5*        G   1  -8.839  -8.738   1.121
    2   2H5*    G   1          2H5*        G   1 -10.477  -9.146   1.670
    3    H4*    G   1           H4*        G   1  -9.665  -9.520   3.940
    4    H3*    G   1           H3*        G   1  -6.945  -8.624   2.836
    5    H2*    G   1           H2*        G   1  -5.966 -10.219   4.423
    6   2HO*    G   1          2HO*        G   1  -7.803  -9.741   5.979
    7    H1*    G   1           H1*        G   1  -7.488 -12.295   3.596
    8    H8     G   1           H8         G   1  -7.529 -10.362   0.447
    9    H1     G   1           H1         G   1  -1.705 -12.745   1.662
   10   1H2     G   1          1H2         G   1  -1.613 -13.482   3.748
   11   2H2     G   1          2H2         G   1  -2.983 -13.364   4.829
   12    H5T    G   1           H5T        G   1 -10.149  -6.897   1.571
   13   1H5*    G   2          1H5*        G   2  -6.528  -8.895   7.031
   14   2H5*    G   2          2H5*        G   2  -5.789  -7.415   7.673
   15    H4*    G   2           H4*        G   2  -4.589  -9.443   8.411
   16    H3*    G   2           H3*        G   2  -3.018  -7.643   6.478
   17    H2*    G   2           H2*        G   2  -1.139  -9.136   6.973
   18   2HO*    G   2          2HO*        G   2  -1.927  -9.341   9.269
   19    H1*    G   2           H1*        G   2  -2.592 -11.433   6.580
   20    H8     G   2           H8         G   2  -4.217  -9.244   4.081
   21    H1     G   2           H1         G   2   1.754 -10.819   2.353
   22   1H2     G   2          1H2         G   2   2.077 -11.878   5.643
   23   2H2     G   2          2H2         G   2   2.843 -11.669   4.085
   24   1H5*    C   3          1H5*        C   3  -0.444  -8.126   9.738
   25   2H5*    C   3          2H5*        C   3   0.369  -6.601  10.145
   26    H4*    C   3           H4*        C   3   1.980  -8.381   9.557
   27    H3*    C   3           H3*        C   3   1.811  -6.009   7.619
   28    H2*    C   3           H2*        C   3   3.644  -7.064   6.403
   29   2HO*    C   3          2HO*        C   3   4.605  -7.795   8.513
   30    H1*    C   3           H1*        C   3   2.530  -9.560   6.365
   31   1H4     C   3          1H4         C   3   0.136  -6.701   1.225
   32   2H4     C   3          2H4         C   3  -1.202  -6.063   2.158
   33    H5     C   3           H5         C   3  -1.403  -6.436   4.585
   34    H6     C   3           H6         C   3  -0.277  -7.344   6.548
   35   1H5*    U   4          2H5*        U   4   6.053  -6.343   8.459
   36   2H5*    U   4          1H5*        U   4   6.690  -4.697   8.650
   37    H4*    U   4           H4*        U   4   7.826  -5.902   6.824
   38    H3*    U   4           H3*        U   4   6.043  -3.565   5.935
   39    H2*    U   4           H2*        U   4   6.941  -3.986   3.697
   40   2HO*    U   4          2HO*        U   4   9.092  -4.542   4.562
   41    H1*    U   4           H1*        U   4   6.446  -6.668   3.768
   42    H3     U   4           H3         U   4   2.994  -4.870   1.401
   43    H5     U   4           H5         U   4   1.937  -4.250   5.430
   44    H6     U   4           H6         U   4   4.148  -5.043   6.052
   45   1H5*    G   5          2H5*        G   5   9.838  -2.746   3.981
   46   2H5*    G   5          1H5*        G   5  10.140  -1.011   4.200
   47    H4*    G   5           H4*        G   5  10.141  -1.663   1.814
   48    H3*    G   5           H3*        G   5   7.775   0.121   2.642
   49    H2*    G   5           H2*        G   5   7.315   0.216   0.252
   50   2HO*    G   5          2HO*        G   5   8.919   0.079  -1.117
   51    H1*    G   5           H1*        G   5   7.736  -2.498  -0.170
   52    H8     G   5           H8         G   5   5.957  -2.361   3.110
   53    H1     G   5           H1         G   5   2.108  -1.037  -1.847
   54   1H2     G   5          1H2         G   5   3.321  -0.684  -3.667
   55   2H2     G   5          2H2         G   5   5.068  -0.762  -3.637
   56   1H5*    G   6          2H5*        G   6   9.952   1.641  -0.772
   57   2H5*    G   6          1H5*        G   6  10.033   3.414  -0.757
   58    H4*    G   6           H4*        G   6   9.106   2.460  -2.879
   59    H3*    G   6           H3*        G   6   7.232   4.228  -1.204
   60    H2*    G   6           H2*        G   6   5.673   4.008  -3.063
   61   2HO*    G   6          2HO*        G   6   6.384   3.660  -5.035
   62    H1*    G   6           H1*        G   6   6.039   1.291  -3.387
   63    H8     G   6           H8         G   6   6.215   1.781   0.317
   64    H1     G   6           H1         G   6   0.246   2.307  -1.969
   65   1H2     G   6          1H2         G   6   0.295   2.477  -4.175
   66   2H2     G   6          2H2         G   6   1.797   2.430  -5.071
   67   1H5*    C   7          1H5*        C   7   7.478   5.339  -5.360
   68   2H5*    C   7          2H5*        C   7   7.311   7.082  -5.654
   69    H4*    C   7           H4*        C   7   5.650   5.673  -6.896
   70    H3*    C   7           H3*        C   7   4.596   7.715  -4.867
   71    H2*    C   7           H2*        C   7   2.351   7.030  -5.544
   72   2HO*    C   7          2HO*        C   7   3.326   6.662  -7.833
   73    H1*    C   7           H1*        C   7   2.810   4.364  -5.306
   74   1H4     C   7          1H4         C   7   1.276   6.218   0.566
   75   2H4     C   7          2H4         C   7   2.947   6.588   0.932
   76    H5     C   7           H5         C   7   4.727   6.439  -0.769
   77    H6     C   7           H6         C   7   5.188   5.949  -3.112
   78   1H5*   +U   8          1H5*       +U   8   1.851   7.739  -8.190
   79   2H5*   +U   8          2H5*       +U   8   1.874   9.410  -8.793
   80    H4*   +U   8           H4*       +U   8  -0.430   8.637  -8.448
   81    H3*   +U   8           H3*       +U   8   0.557  10.814  -6.536
   82    H2*   +U   8           H2*       +U   8  -1.639  10.795  -5.513
   83    H1*   +U   8           H1*       +U   8  -1.898   8.063  -5.383
   84    H3    +U   8           H3        +U   8  -0.892   9.080  -1.100
   85    H5    +U   8           H5        +U   8   2.782   9.510  -3.123
   86    H6    +U   8           H6        +U   8   1.586   9.163  -5.210
   87   1H5*    G   9          1H5*        G   9  -2.647  12.543  -6.916
   88   2H5*    G   9          2H5*        G   9  -2.646  13.728  -8.238
   89    H4*    G   9           H4*        G   9  -3.770  14.571  -6.187
   90    H3*    G   9           H3*        G   9  -2.181  16.190  -7.692
   91    H2*    G   9           H2*        G   9  -0.093  15.491  -6.580
   92   2HO*    G   9          2HO*        G   9  -1.129  17.817  -5.269
   93    H1*    G   9           H1*        G   9  -1.485  15.987  -3.906
   94    H8     G   9           H8         G   9   0.936  13.653  -5.898
   95    H1     G   9           H1         G   9   2.064  14.152   0.398
   96   1H2     G   9          1H2         G   9  -0.781  16.140   0.416
   97   2H2     G   9          2H2         G   9   0.492  15.389   1.349
   98   1H5*    U  10          1H5*        U  10  -7.339  17.718  -5.652
   99   2H5*    U  10          2H5*        U  10  -6.056  18.385  -4.621
  100    H4*    U  10           H4*        U  10  -7.807  17.274  -3.297
  101    H3*    U  10           H3*        U  10  -5.086  16.823  -2.823
  102    H2*    U  10           H2*        U  10  -5.049  14.697  -4.042
  103   2HO*    U  10          2HO*        U  10  -5.835  14.215  -1.331
  104    H1*    U  10           H1*        U  10  -7.748  14.120  -2.711
  105    H3     U  10           H3         U  10  -8.039  10.047  -4.542
  106    H5     U  10           H5         U  10  -6.226  12.294  -7.612
  107    H6     U  10           H6         U  10  -6.229  14.207  -6.111
  108   1H5*    U  11          2H5*        U  11  -6.749  14.198   0.618
  109   2H5*    U  11          1H5*        U  11  -6.687  15.347   1.971
  110    H4*    U  11           H4*        U  11  -5.965  13.153   2.714
  111    H3*    U  11           H3*        U  11  -4.429  15.346   3.354
  112    H2*    U  11           H2*        U  11  -3.038  15.086   1.299
  113   2HO*    U  11          2HO*        U  11  -1.855  13.832   3.581
  114    H1*    U  11           H1*        U  11  -2.880  12.155   2.187
  115    H3     U  11           H3         U  11   0.410  11.616  -0.894
  116    H5     U  11           H5         U  11  -2.991  12.722  -3.117
  117    H6     U  11           H6         U  11  -4.103  13.228  -1.014
  118   1H5*    C  12          2H5*        C  12  -7.128  12.808   4.179
  119   2H5*    C  12          1H5*        C  12  -7.615  11.470   5.235
  120    H4*    C  12           H4*        C  12  -7.386  11.114   2.628
  121    H3*    C  12           H3*        C  12  -6.781   9.209   4.858
  122    H2*    C  12           H2*        C  12  -4.885   8.326   3.773
  123   2HO*    C  12          2HO*        C  12  -6.625   7.985   1.536
  124    H1*    C  12           H1*        C  12  -5.503   9.802   1.194
  125   1H4     C  12          1H4         C  12   1.041   9.293   2.357
  126   2H4     C  12          2H4         C  12   0.779   9.036   0.647
  127    H5     C  12           H5         C  12  -0.790   9.825   3.904
  128    H6     C  12           H6         C  12  -3.204  10.098   4.099
  129   1H5*    G  13          2H5*        G  13  -9.291   8.245   1.002
  130   2H5*    G  13          1H5*        G  13 -10.061   6.657   0.825
  131    H4*    G  13           H4*        G  13  -8.863   7.429  -1.230
  132    H3*    G  13           H3*        G  13  -7.689   4.917   0.101
  133    H2*    G  13           H2*        G  13  -6.292   4.806  -1.873
  134   2HO*    G  13          2HO*        G  13  -7.791   5.104  -3.478
  135    H1*    G  13           H1*        G  13  -6.009   7.629  -2.113
  136    H8     G  13           H8         G  13  -5.255   6.664   1.429
  137    H1     G  13           H1         G  13  -0.437   5.398  -2.603
  138   1H2     G  13          1H2         G  13  -2.783   6.016  -5.083
  139   2H2     G  13          2H2         G  13  -1.137   5.568  -4.695
  140   1H5*    C  14          2H5*        C  14  -8.036   1.247  -3.480
  141   2H5*    C  14          1H5*        C  14  -6.957   1.853  -2.206
  142    H4*    C  14           H4*        C  14  -6.800   2.583  -5.153
  143    H3*    C  14           H3*        C  14  -5.146   0.639  -3.454
  144    H2*    C  14           H2*        C  14  -3.218   1.326  -4.790
  145   2HO*    C  14          2HO*        C  14  -4.738   1.555  -6.724
  146    H1*    C  14           H1*        C  14  -3.645   3.991  -4.492
  147   1H4     C  14          1H4         C  14  -0.504   2.042   0.737
  148   2H4     C  14          2H4         C  14  -1.998   2.161   1.643
  149    H5     C  14           H5         C  14  -4.159   2.626   0.564
  150    H6     C  14           H6         C  14  -5.260   3.049  -1.568
  151   1H5*    C  15          2H5*        C  15  -3.980   0.151  -7.577
  152   2H5*    C  15          1H5*        C  15  -3.911  -1.577  -7.977
  153    H4*    C  15           H4*        C  15  -1.807  -0.394  -8.537
  154    H3*    C  15           H3*        C  15  -1.630  -2.495  -6.307
  155    H2*    C  15           H2*        C  15   0.783  -2.063  -6.338
  156   2HO*    C  15          2HO*        C  15   0.594  -1.657  -8.773
  157    H1*    C  15           H1*        C  15   0.521   0.636  -6.158
  158   1H4     C  15          1H4         C  15  -1.654  -1.541  -0.289
  159   2H4     C  15          2H4         C  15   0.087  -1.429  -0.148
  160    H5     C  15           H5         C  15  -2.827  -1.185  -2.422
  161    H6     C  15           H6         C  15  -2.533  -0.640  -4.778
  162   1H5*    A  16          2H5*        A  16   1.632  -3.114  -8.718
  163   2H5*    A  16          1H5*        A  16   1.852  -4.834  -9.092
  164    H4*    A  16           H4*        A  16   3.860  -3.874  -8.046
  165    H3*    A  16           H3*        A  16   2.354  -5.890  -6.281
  166    H2*    A  16           H2*        A  16   4.286  -5.680  -4.793
  167   2HO*    A  16          2HO*        A  16   5.814  -5.545  -6.598
  168    H1*    A  16           H1*        A  16   4.314  -2.935  -4.871
  169    H8     A  16           H8         A  16   0.666  -3.651  -5.103
  170   1H6     A  16          1H6         A  16   0.755  -4.739   0.992
  171   2H6     A  16          2H6         A  16  -0.265  -4.601  -0.423
  172    H2     A  16           H2         A  16   4.978  -4.623  -0.445
  173   1H5*    G  17          1H5*        G  17   6.375  -7.745  -7.062
  174   2H5*    G  17          2H5*        G  17   6.131  -9.495  -7.233
  175    H4*    G  17           H4*        G  17   7.758  -8.938  -5.451
  176    H3*    G  17           H3*        G  17   5.124 -10.193  -4.484
  177    H2*    G  17           H2*        G  17   6.220 -10.262  -2.293
  178   2HO*    G  17          2HO*        G  17   8.337 -10.763  -3.353
  179    H1*    G  17           H1*        G  17   7.090  -7.661  -2.409
  180    H8     G  17           H8         G  17   3.862  -7.474  -4.274
  181    H1     G  17           H1         G  17   3.018  -8.116   2.046
  182   1H2     G  17          1H2         G  17   4.918  -8.702   3.009
  183   2H2     G  17          2H2         G  17   6.385  -8.941   2.088
  184   1H5*    C  18          1H5*        C  18   8.134 -12.863  -2.892
  185   2H5*    C  18          2H5*        C  18   7.526 -14.526  -3.032
  186    H4*    C  18           H4*        C  18   7.984 -13.891  -0.684
  187    H3*    C  18           H3*        C  18   5.045 -14.393  -1.410
  188    H2*    C  18           H2*        C  18   4.572 -14.064   0.965
  189   2HO*    C  18          2HO*        C  18   7.408 -14.225   1.161
  190    H1*    C  18           H1*        C  18   6.015 -11.758   1.187
  191   1H4     C  18          1H4         C  18   0.268  -9.899  -0.797
  192   2H4     C  18          2H4         C  18   0.768 -10.030  -2.470
  193    H5     C  18           H5         C  18   2.950 -10.977  -3.120
  194    H6     C  18           H6         C  18   5.030 -11.924  -2.267
  195   1H5*    C  19          2H5*        C  19   5.745 -16.665   2.169
  196   2H5*    C  19          1H5*        C  19   5.032 -18.278   1.958
  197    H4*    C  19           H4*        C  19   4.132 -17.164   3.955
  198    H3*    C  19           H3*        C  19   2.130 -17.410   1.652
  199    H2*    C  19           H2*        C  19   0.481 -16.619   3.247
  200   2HO*    C  19          2HO*        C  19   1.623 -17.818   5.039
  201    H1*    C  19           H1*        C  19   2.044 -14.520   4.068
  202   1H4     C  19          1H4         C  19   0.072 -12.889  -2.042
  203   2H4     C  19          2H4         C  19  -1.133 -12.261  -0.937
  204    H5     C  19           H5         C  19   1.949 -14.295  -1.282
  205    H6     C  19           H6         C  19   2.973 -15.349   0.666
  206    H3T    C  19           H3T        C  19   3.052 -19.313   2.756
  207   1HC   CH3   8          1HC       CH3   8  -4.644   9.427  -6.745
  208   2HC   CH3   8          2HC       CH3   8  -3.640   9.401  -5.293
  209   3HC   CH3   8          3HC       CH3   8  -4.039  10.939  -6.064
  Start of MODEL   19
    1   1H5*    G   1          1H5*        G   1  -9.988  -8.981   3.189
    2   2H5*    G   1          2H5*        G   1  -9.065  -7.687   3.980
    3    H4*    G   1           H4*        G   1  -9.250  -9.698   5.405
    4    H3*    G   1           H3*        G   1  -6.450  -8.955   4.412
    5    H2*    G   1           H2*        G   1  -5.617 -10.849   5.720
    6   2HO*    G   1          2HO*        G   1  -7.285 -10.459   7.420
    7    H1*    G   1           H1*        G   1  -7.341 -12.639   4.667
    8    H8     G   1           H8         G   1  -7.351 -10.435   1.751
    9    H1     G   1           H1         G   1  -1.584 -13.116   2.549
   10   1H2     G   1          1H2         G   1  -2.764 -13.935   5.707
   11   2H2     G   1          2H2         G   1  -1.438 -14.010   4.567
   12    H5T    G   1           H5T        G   1  -7.222  -8.502   2.761
   13   1H5*    G   2          1H5*        G   2  -5.781  -9.891   8.413
   14   2H5*    G   2          2H5*        G   2  -4.997  -8.511   9.209
   15    H4*    G   2           H4*        G   2  -3.715 -10.583   9.543
   16    H3*    G   2           H3*        G   2  -2.370  -8.488   7.748
   17    H2*    G   2           H2*        G   2  -0.445  -9.988   7.731
   18   2HO*    G   2          2HO*        G   2  -0.890 -10.564  10.050
   19    H1*    G   2           H1*        G   2  -1.900 -12.248   7.189
   20    H8     G   2           H8         G   2  -3.888  -9.740   5.324
   21    H1     G   2           H1         G   2   1.740 -10.946   2.502
   22   1H2     G   2          1H2         G   2   3.077 -12.008   3.910
   23   2H2     G   2          2H2         G   2   2.560 -12.440   5.525
   24   1H5*    C   3          1H5*        C   3   0.741  -9.205  10.581
   25   2H5*    C   3          2H5*        C   3   1.389  -7.623  11.064
   26    H4*    C   3           H4*        C   3   3.133  -9.030  10.052
   27    H3*    C   3           H3*        C   3   2.285  -6.599   8.380
   28    H2*    C   3           H2*        C   3   4.094  -7.232   6.866
   29   2HO*    C   3          2HO*        C   3   5.450  -7.920   8.748
   30    H1*    C   3           H1*        C   3   3.387  -9.874   6.748
   31   1H4     C   3          1H4         C   3  -1.344  -6.738   3.333
   32   2H4     C   3          2H4         C   3  -0.048  -7.061   2.203
   33    H5     C   3           H5         C   3  -1.138  -7.217   5.742
   34    H6     C   3           H6         C   3   0.351  -8.082   7.468
   35   1H5*    U   4          2H5*        U   4   6.647  -6.346   8.597
   36   2H5*    U   4          1H5*        U   4   7.028  -4.644   8.931
   37    H4*    U   4           H4*        U   4   8.163  -5.434   6.896
   38    H3*    U   4           H3*        U   4   5.925  -3.389   6.395
   39    H2*    U   4           H2*        U   4   6.712  -3.412   4.081
   40   2HO*    U   4          2HO*        U   4   8.715  -3.947   3.636
   41    H1*    U   4           H1*        U   4   6.793  -6.150   3.906
   42    H3     U   4           H3         U   4   3.001  -4.897   1.722
   43    H5     U   4           H5         U   4   1.949  -4.759   5.799
   44    H6     U   4           H6         U   4   4.282  -5.173   6.339
   45   1H5*    G   5          2H5*        G   5   9.486  -2.334   4.399
   46   2H5*    G   5          1H5*        G   5   9.754  -0.581   4.320
   47    H4*    G   5           H4*        G   5   9.689  -1.684   2.080
   48    H3*    G   5           H3*        G   5   7.421   0.318   2.643
   49    H2*    G   5           H2*        G   5   6.916   0.021   0.271
   50   2HO*    G   5          2HO*        G   5   8.433  -0.559  -1.098
   51    H1*    G   5           H1*        G   5   7.172  -2.738   0.346
   52    H8     G   5           H8         G   5   5.512  -1.995   3.592
   53    H1     G   5           H1         G   5   1.586  -1.122  -1.403
   54   1H2     G   5          1H2         G   5   2.755  -1.092  -3.284
   55   2H2     G   5          2H2         G   5   4.486  -1.346  -3.295
   56   1H5*    G   6          1H5*        G   6   9.542   1.092  -0.999
   57   2H5*    G   6          2H5*        G   6   9.709   2.825  -1.343
   58    H4*    G   6           H4*        G   6   8.670   1.530  -3.209
   59    H3*    G   6           H3*        G   6   6.901   3.658  -1.870
   60    H2*    G   6           H2*        G   6   5.320   3.154  -3.678
   61   2HO*    G   6          2HO*        G   6   7.024   2.858  -5.281
   62    H1*    G   6           H1*        G   6   5.463   0.447  -3.325
   63    H8     G   6           H8         G   6   5.976   1.641   0.165
   64    H1     G   6           H1         G   6  -0.064   2.463  -1.819
   65   1H2     G   6          1H2         G   6  -0.177   2.216  -4.015
   66   2H2     G   6          2H2         G   6   1.233   1.826  -4.974
   67   1H5*    C   7          1H5*        C   7   7.038   4.611  -6.038
   68   2H5*    C   7          2H5*        C   7   6.876   6.353  -6.338
   69    H4*    C   7           H4*        C   7   5.011   4.942  -7.278
   70    H3*    C   7           H3*        C   7   4.321   7.095  -5.202
   71    H2*    C   7           H2*        C   7   1.986   6.484  -5.584
   72   2HO*    C   7          2HO*        C   7   2.638   6.037  -7.960
   73    H1*    C   7           H1*        C   7   2.391   3.795  -5.350
   74   1H4     C   7          1H4         C   7   3.136   6.027   0.832
   75   2H4     C   7          2H4         C   7   1.409   5.942   0.561
   76    H5     C   7           H5         C   7   4.770   5.642  -0.976
   77    H6     C   7           H6         C   7   5.014   5.104  -3.344
   78   1H5*   +U   8          1H5*       +U   8   1.025   7.172  -8.394
   79   2H5*   +U   8          2H5*       +U   8   1.341   8.808  -9.010
   80    H4*   +U   8           H4*       +U   8  -1.043   8.532  -8.609
   81    H3*   +U   8           H3*       +U   8   0.384  10.371  -6.619
   82    H2*   +U   8           H2*       +U   8  -1.782  10.776  -5.604
   83    H1*   +U   8           H1*       +U   8  -2.555   8.146  -5.527
   84    H3    +U   8           H3        +U   8  -1.256   8.988  -1.258
   85    H5    +U   8           H5        +U   8   2.355   8.407  -3.352
   86    H6    +U   8           H6        +U   8   1.068   8.373  -5.412
   87   1H5*    G   9          1H5*        G   9  -2.341  13.057  -7.626
   88   2H5*    G   9          2H5*        G   9  -1.829  13.947  -9.075
   89    H4*    G   9           H4*        G   9  -2.974  15.399  -7.440
   90    H3*    G   9           H3*        G   9  -0.661  16.214  -8.740
   91    H2*    G   9           H2*        G   9   0.803  15.459  -6.898
   92   2HO*    G   9          2HO*        G   9   0.034  18.185  -6.482
   93    H1*    G   9           H1*        G   9  -1.243  16.817  -5.061
   94    H8     G   9           H8         G   9   1.430  13.990  -5.381
   95    H1     G   9           H1         G   9   0.022  15.873   0.586
   96   1H2     G   9          1H2         G   9  -2.327  17.902  -0.972
   97   2H2     G   9          2H2         G   9  -1.629  17.351   0.534
   98   1H5*    U  10          1H5*        U  10  -5.895  18.112  -7.209
   99   2H5*    U  10          2H5*        U  10  -4.656  18.340  -5.958
  100    H4*    U  10           H4*        U  10  -6.693  17.147  -5.152
  101    H3*    U  10           H3*        U  10  -4.059  16.383  -4.480
  102    H2*    U  10           H2*        U  10  -4.026  14.463  -5.982
  103   2HO*    U  10          2HO*        U  10  -5.293  13.701  -3.538
  104    H1*    U  10           H1*        U  10  -6.954  14.005  -5.220
  105    H3     U  10           H3         U  10  -7.519  10.531  -7.973
  106    H5     U  10           H5         U  10  -4.554  12.767  -9.962
  107    H6     U  10           H6         U  10  -4.644  14.367  -8.135
  108   1H5*    U  11          1H5*        U  11  -6.557  14.331  -0.780
  109   2H5*    U  11          2H5*        U  11  -6.537  15.748   0.289
  110    H4*    U  11           H4*        U  11  -5.950  13.734   1.534
  111    H3*    U  11           H3*        U  11  -4.444  15.991   1.872
  112    H2*    U  11           H2*        U  11  -2.982  15.399  -0.065
  113   2HO*    U  11          2HO*        U  11  -1.783  14.530   2.389
  114    H1*    U  11           H1*        U  11  -2.748  12.696   1.355
  115    H3     U  11           H3         U  11   0.644  11.771  -1.508
  116    H5     U  11           H5         U  11  -2.703  12.403  -3.989
  117    H6     U  11           H6         U  11  -3.910  13.182  -2.024
  118   1H5*    C  12          2H5*        C  12  -7.078  13.800   3.140
  119   2H5*    C  12          1H5*        C  12  -7.654  12.723   4.427
  120    H4*    C  12           H4*        C  12  -7.359  11.800   1.993
  121    H3*    C  12           H3*        C  12  -6.719  10.410   4.578
  122    H2*    C  12           H2*        C  12  -4.860   9.296   3.656
  123   2HO*    C  12          2HO*        C  12  -6.600   8.556   1.517
  124    H1*    C  12           H1*        C  12  -5.494  10.269   0.852
  125   1H4     C  12          1H4         C  12   0.765   9.293   0.433
  126   2H4     C  12          2H4         C  12   1.064  10.018   1.998
  127    H5     C  12           H5         C  12  -0.757  10.769   3.468
  128    H6     C  12           H6         C  12  -3.167  11.097   3.628
  129   1H5*    G  13          2H5*        G  13  -9.222   8.932   1.024
  130   2H5*    G  13          1H5*        G  13 -10.093   7.386   1.017
  131    H4*    G  13           H4*        G  13  -8.867   7.855  -1.109
  132    H3*    G  13           H3*        G  13  -7.863   5.434   0.497
  133    H2*    G  13           H2*        G  13  -6.424   5.029  -1.390
  134   2HO*    G  13          2HO*        G  13  -7.859   5.133  -3.065
  135    H1*    G  13           H1*        G  13  -6.069   7.800  -2.041
  136    H8     G  13           H8         G  13  -5.222   7.214   1.575
  137    H1     G  13           H1         G  13  -0.581   5.363  -2.439
  138   1H2     G  13          1H2         G  13  -2.980   5.813  -4.901
  139   2H2     G  13          2H2         G  13  -1.341   5.342  -4.515
  140   1H5*    C  14          2H5*        C  14  -8.513   1.487  -2.830
  141   2H5*    C  14          1H5*        C  14  -7.342   2.122  -1.656
  142    H4*    C  14           H4*        C  14  -7.276   2.591  -4.660
  143    H3*    C  14           H3*        C  14  -5.651   0.721  -2.853
  144    H2*    C  14           H2*        C  14  -3.763   1.160  -4.343
  145   2HO*    C  14          2HO*        C  14  -5.414   1.313  -6.201
  146    H1*    C  14           H1*        C  14  -4.040   3.867  -4.298
  147   1H4     C  14          1H4         C  14  -0.647   2.392   0.907
  148   2H4     C  14          2H4         C  14  -2.103   2.474   1.876
  149    H5     C  14           H5         C  14  -4.320   2.864   0.886
  150    H6     C  14           H6         C  14  -5.536   3.132  -1.209
  151   1H5*    C  15          1H5*        C  15  -4.791  -0.194  -6.925
  152   2H5*    C  15          2H5*        C  15  -4.808  -1.946  -7.210
  153    H4*    C  15           H4*        C  15  -2.701  -0.890  -7.968
  154    H3*    C  15           H3*        C  15  -2.456  -2.826  -5.597
  155    H2*    C  15           H2*        C  15  -0.031  -2.501  -5.848
  156   2HO*    C  15          2HO*        C  15  -0.444  -2.209  -8.294
  157    H1*    C  15           H1*        C  15  -0.195   0.206  -5.804
  158   1H4     C  15          1H4         C  15  -0.345  -1.444   0.348
  159   2H4     C  15          2H4         C  15  -2.089  -1.599   0.295
  160    H5     C  15           H5         C  15  -3.373  -1.284  -1.779
  161    H6     C  15           H6         C  15  -3.203  -0.884  -4.176
  162   1H5*    A  16          1H5*        A  16   0.453  -3.716  -8.337
  163   2H5*    A  16          2H5*        A  16   0.746  -5.453  -8.557
  164    H4*    A  16           H4*        A  16   2.778  -4.235  -7.835
  165    H3*    A  16           H3*        A  16   1.643  -6.215  -5.774
  166    H2*    A  16           H2*        A  16   3.719  -5.752  -4.555
  167   2HO*    A  16          2HO*        A  16   4.949  -5.606  -6.619
  168    H1*    A  16           H1*        A  16   3.492  -3.028  -4.807
  169    H8     A  16           H8         A  16  -0.087  -3.937  -4.536
  170   1H6     A  16          1H6         A  16   0.795  -4.794   1.534
  171   2H6     A  16          2H6         A  16  -0.396  -4.691   0.257
  172    H2     A  16           H2         A  16   4.802  -4.544  -0.415
  173   1H5*    G  17          1H5*        G  17   5.734  -7.562  -6.721
  174   2H5*    G  17          2H5*        G  17   5.735  -9.333  -6.841
  175    H4*    G  17           H4*        G  17   7.413  -8.518  -5.224
  176    H3*    G  17           H3*        G  17   5.059 -10.062  -3.995
  177    H2*    G  17           H2*        G  17   6.319  -9.912  -1.907
  178   2HO*    G  17          2HO*        G  17   8.389 -10.215  -3.120
  179    H1*    G  17           H1*        G  17   6.895  -7.232  -2.184
  180    H8     G  17           H8         G  17   3.499  -7.378  -3.676
  181    H1     G  17           H1         G  17   3.387  -8.077   2.694
  182   1H2     G  17          1H2         G  17   5.419  -8.516   3.443
  183   2H2     G  17          2H2         G  17   6.801  -8.589   2.373
  184   1H5*    C  18          2H5*        C  18   8.261 -12.548  -2.598
  185   2H5*    C  18          1H5*        C  18   7.746 -14.230  -2.840
  186    H4*    C  18           H4*        C  18   8.142 -13.748  -0.460
  187    H3*    C  18           H3*        C  18   5.212 -14.239  -1.229
  188    H2*    C  18           H2*        C  18   4.737 -14.096   1.160
  189   2HO*    C  18          2HO*        C  18   6.958 -15.171   1.535
  190    H1*    C  18           H1*        C  18   6.190 -11.807   1.563
  191   1H4     C  18          1H4         C  18   0.870  -9.774  -1.817
  192   2H4     C  18          2H4         C  18   0.401  -9.789  -0.130
  193    H5     C  18           H5         C  18   3.024 -10.685  -2.592
  194    H6     C  18           H6         C  18   5.120 -11.706  -1.870
  195   1H5*    C  19          1H5*        C  19   5.918 -17.112   1.995
  196   2H5*    C  19          2H5*        C  19   5.178 -18.646   1.492
  197    H4*    C  19           H4*        C  19   4.264 -17.871   3.641
  198    H3*    C  19           H3*        C  19   2.286 -17.670   1.312
  199    H2*    C  19           H2*        C  19   0.637 -17.187   3.027
  200   2HO*    C  19          2HO*        C  19   1.762 -18.727   4.551
  201    H1*    C  19           H1*        C  19   2.240 -15.314   4.256
  202   1H4     C  19          1H4         C  19  -1.011 -12.059  -0.128
  203   2H4     C  19          2H4         C  19   0.193 -12.424  -1.347
  204    H5     C  19           H5         C  19   2.044 -14.001  -0.936
  205    H6     C  19           H6         C  19   3.093 -15.433   0.738
  206    H3T    C  19           H3T        C  19   3.157 -19.763   1.990
  207   1HC   CH3   8          1HC       CH3   8  -4.981  10.116  -6.832
  208   2HC   CH3   8          2HC       CH3   8  -4.065  11.531  -6.306
  209   3HC   CH3   8          3HC       CH3   8  -3.978  10.028  -5.382
  Start of MODEL   20
    1   1H5*    G   1          1H5*        G   1 -10.532  -7.969   1.904
    2   2H5*    G   1          2H5*        G   1  -9.712  -6.661   2.779
    3    H4*    G   1           H4*        G   1 -10.021  -8.668   4.189
    4    H3*    G   1           H3*        G   1  -7.119  -7.973   3.468
    5    H2*    G   1           H2*        G   1  -6.500  -9.793   4.982
    6   2HO*    G   1          2HO*        G   1  -8.299  -9.242   6.470
    7    H1*    G   1           H1*        G   1  -8.245 -11.596   3.901
    8    H8     G   1           H8         G   1  -7.633  -9.945   0.755
    9    H1     G   1           H1         G   1  -2.208 -12.579   2.921
   10   1H2     G   1          1H2         G   1  -3.898 -12.789   5.941
   11   2H2     G   1          2H2         G   1  -2.414 -13.077   5.063
   12    H5T    G   1           H5T        G   1  -8.316  -8.502   1.150
   13   1H5*    G   2          2H5*        G   2  -6.966  -8.243   7.692
   14   2H5*    G   2          1H5*        G   2  -6.102  -6.834   8.340
   15    H4*    G   2           H4*        G   2  -5.046  -8.954   9.030
   16    H3*    G   2           H3*        G   2  -3.413  -7.193   7.122
   17    H2*    G   2           H2*        G   2  -1.626  -8.841   7.377
   18   2HO*    G   2          2HO*        G   2  -3.230  -9.595   9.560
   19    H1*    G   2           H1*        G   2  -3.211 -11.001   6.899
   20    H8     G   2           H8         G   2  -4.984  -8.525   4.798
   21    H1     G   2           H1         G   2   0.693 -10.151   2.306
   22   1H2     G   2          1H2         G   2   1.913 -11.200   3.824
   23   2H2     G   2          2H2         G   2   1.329 -11.470   5.451
   24   1H5*    C   3          1H5*        C   3  -0.603  -8.289   9.995
   25   2H5*    C   3          2H5*        C   3   0.276  -6.844  10.533
   26    H4*    C   3           H4*        C   3   1.812  -8.539   9.629
   27    H3*    C   3           H3*        C   3   1.527  -5.998   7.929
   28    H2*    C   3           H2*        C   3   3.299  -6.949   6.536
   29   2HO*    C   3          2HO*        C   3   4.273  -7.911   8.602
   30    H1*    C   3           H1*        C   3   2.139  -9.419   6.337
   31   1H4     C   3          1H4         C   3  -0.476  -6.093   1.602
   32   2H4     C   3          2H4         C   3  -1.753  -5.525   2.656
   33    H5     C   3           H5         C   3  -1.821  -6.089   5.055
   34    H6     C   3           H6         C   3  -0.610  -7.183   6.867
   35   1H5*    U   4          1H5*        U   4   5.663  -6.731   8.343
   36   2H5*    U   4          2H5*        U   4   6.544  -5.210   8.587
   37    H4*    U   4           H4*        U   4   7.339  -6.420   6.589
   38    H3*    U   4           H3*        U   4   5.865  -3.785   6.018
   39    H2*    U   4           H2*        U   4   6.551  -4.145   3.699
   40   2HO*    U   4          2HO*        U   4   8.661  -5.049   4.424
   41    H1*    U   4           H1*        U   4   5.759  -6.776   3.640
   42    H3     U   4           H3         U   4   2.475  -4.545   1.430
   43    H5     U   4           H5         U   4   1.621  -3.876   5.500
   44    H6     U   4           H6         U   4   3.743  -4.934   6.041
   45   1H5*    G   5          1H5*        G   5   9.510  -3.561   3.767
   46   2H5*    G   5          2H5*        G   5  10.218  -1.962   4.072
   47    H4*    G   5           H4*        G   5   9.940  -2.351   1.666
   48    H3*    G   5           H3*        G   5   7.992  -0.263   2.805
   49    H2*    G   5           H2*        G   5   7.402   0.132   0.481
   50   2HO*    G   5          2HO*        G   5   9.015   0.032  -0.880
   51    H1*    G   5           H1*        G   5   7.382  -2.572  -0.222
   52    H8     G   5           H8         G   5   5.762  -2.332   3.160
   53    H1     G   5           H1         G   5   1.940  -0.392  -1.613
   54   1H2     G   5          1H2         G   5   4.841  -0.457  -3.515
   55   2H2     G   5          2H2         G   5   3.116  -0.166  -3.475
   56   1H5*    G   6          2H5*        G   6  10.394   1.262  -0.498
   57   2H5*    G   6          1H5*        G   6  10.752   2.992  -0.319
   58    H4*    G   6           H4*        G   6   9.650   2.440  -2.484
   59    H3*    G   6           H3*        G   6   8.046   4.214  -0.555
   60    H2*    G   6           H2*        G   6   6.450   4.420  -2.378
   61   2HO*    G   6          2HO*        G   6   7.113   4.290  -4.388
   62    H1*    G   6           H1*        G   6   6.496   1.736  -3.065
   63    H8     G   6           H8         G   6   6.705   1.924   0.705
   64    H1     G   6           H1         G   6   0.788   2.845  -1.591
   65   1H2     G   6          1H2         G   6   0.868   3.122  -3.788
   66   2H2     G   6          2H2         G   6   2.385   3.142  -4.659
   67   1H5*    C   7          2H5*        C   7   8.687   5.603  -4.623
   68   2H5*    C   7          1H5*        C   7   8.713   7.363  -4.857
   69    H4*    C   7           H4*        C   7   7.065   6.153  -6.314
   70    H3*    C   7           H3*        C   7   6.008   8.236  -4.327
   71    H2*    C   7           H2*        C   7   3.793   7.801  -5.269
   72   2HO*    C   7          2HO*        C   7   5.123   7.275  -7.427
   73    H1*    C   7           H1*        C   7   3.964   5.093  -5.084
   74   1H4     C   7          1H4         C   7   3.629   7.125   1.222
   75   2H4     C   7          2H4         C   7   2.004   6.712   0.722
   76    H5     C   7           H5         C   7   5.551   6.975  -0.317
   77    H6     C   7           H6         C   7   6.211   6.544  -2.624
   78   1H5*   +U   8          1H5*       +U   8   4.122   8.639  -7.793
   79   2H5*   +U   8          2H5*       +U   8   3.713  10.275  -8.347
   80    H4*   +U   8           H4*       +U   8   1.728   8.791  -7.901
   81    H3*   +U   8           H3*       +U   8   2.032  11.388  -6.302
   82    H2*   +U   8           H2*       +U   8  -0.105  10.853  -5.274
   83    H1*   +U   8           H1*       +U   8   0.492   8.233  -4.740
   84    H3    +U   8           H3        +U   8   0.973  10.342  -0.743
   85    H5    +U   8           H5        +U   8   4.546  11.193  -2.809
   86    H6    +U   8           H6        +U   8   3.557  10.174  -4.783
   87   1H5*    G   9          1H5*        G   9  -1.896  11.174  -7.481
   88   2H5*    G   9          2H5*        G   9  -1.861  11.800  -9.141
   89    H4*    G   9           H4*        G   9  -4.083  12.017  -7.997
   90    H3*    G   9           H3*        G   9  -3.134  13.900  -9.736
   91    H2*    G   9           H2*        G   9  -1.841  15.075  -7.978
   92   2HO*    G   9          2HO*        G   9  -4.417  16.280  -8.308
   93    H1*    G   9           H1*        G   9  -4.431  15.016  -6.345
   94    H8     G   9           H8         G   9  -0.581  15.365  -6.353
   95    H1     G   9           H1         G   9  -3.406  16.291  -0.671
   96   1H2     G   9          1H2         G   9  -6.280  15.231  -2.310
   97   2H2     G   9          2H2         G   9  -5.565  15.809  -0.822
   98   1H5*    U  10          1H5*        U  10  -8.313  11.902  -8.056
   99   2H5*    U  10          2H5*        U  10  -7.750  13.242  -7.036
  100    H4*    U  10           H4*        U  10  -8.586  11.275  -5.745
  101    H3*    U  10           H3*        U  10  -6.320  12.731  -5.011
  102    H2*    U  10           H2*        U  10  -4.775  11.136  -6.084
  103   2HO*    U  10          2HO*        U  10  -5.253  10.198  -3.416
  104    H1*    U  10           H1*        U  10  -6.556   8.973  -4.837
  105    H3     U  10           H3         U  10  -4.321   5.458  -6.443
  106    H5     U  10           H5         U  10  -3.325   8.481  -9.207
  107    H6     U  10           H6         U  10  -4.725  10.004  -7.932
  108   1H5*    U  11          1H5*        U  11  -5.832   9.972  -1.089
  109   2H5*    U  11          2H5*        U  11  -6.847  11.034  -0.094
  110    H4*    U  11           H4*        U  11  -4.790  10.458   1.099
  111    H3*    U  11           H3*        U  11  -5.667  13.072   1.004
  112    H2*    U  11           H2*        U  11  -4.351  13.556  -1.041
  113   2HO*    U  11          2HO*        U  11  -2.728  14.236   1.222
  114    H1*    U  11           H1*        U  11  -2.054  12.215   0.471
  115    H3     U  11           H3         U  11   0.958  13.200  -2.676
  116    H5     U  11           H5         U  11  -2.455  12.254  -4.954
  117    H6     U  11           H6         U  11  -3.677  11.973  -2.870
  118   1H5*    C  12          1H5*        C  12  -6.118  11.030   2.550
  119   2H5*    C  12          2H5*        C  12  -6.892  10.735   4.119
  120    H4*    C  12           H4*        C  12  -6.096   8.640   3.108
  121    H3*    C  12           H3*        C  12  -5.656   9.166   5.781
  122    H2*    C  12           H2*        C  12  -3.495  10.300   5.209
  123   2HO*    C  12          2HO*        C  12  -2.847   7.594   5.877
  124    H1*    C  12           H1*        C  12  -3.040   7.712   3.655
  125   1H4     C  12          1H4         C  12   2.657  10.311   2.620
  126   2H4     C  12          2H4         C  12   1.926  11.594   1.683
  127    H5     C  12           H5         C  12  -0.511  11.866   1.515
  128    H6     C  12           H6         C  12  -2.666  10.959   2.198
  129   1H5*    G  13          1H5*        G  13  -7.817   7.651   2.694
  130   2H5*    G  13          2H5*        G  13  -8.126   6.010   2.094
  131    H4*    G  13           H4*        G  13  -7.574   7.846   0.365
  132    H3*    G  13           H3*        G  13  -5.919   5.251   0.405
  133    H2*    G  13           H2*        G  13  -4.994   6.131  -1.690
  134   2HO*    G  13          2HO*        G  13  -6.821   7.016  -2.637
  135    H1*    G  13           H1*        G  13  -4.574   8.663  -0.638
  136    H8     G  13           H8         G  13  -3.723   6.748   2.320
  137    H1     G  13           H1         G  13   0.517   5.716  -2.373
  138   1H2     G  13          1H2         G  13  -1.896   7.153  -4.409
  139   2H2     G  13          2H2         G  13  -0.305   6.436  -4.296
  140   1H5*    C  14          2H5*        C  14  -7.203   5.243  -3.492
  141   2H5*    C  14          1H5*        C  14  -7.733   3.619  -3.975
  142    H4*    C  14           H4*        C  14  -5.833   4.419  -5.335
  143    H3*    C  14           H3*        C  14  -5.215   2.049  -3.483
  144    H2*    C  14           H2*        C  14  -3.045   2.002  -4.607
  145   2HO*    C  14          2HO*        C  14  -2.924   2.678  -6.609
  146    H1*    C  14           H1*        C  14  -2.624   4.712  -4.408
  147   1H4     C  14          1H4         C  14  -0.156   2.247   0.910
  148   2H4     C  14          2H4         C  14  -1.686   2.437   1.738
  149    H5     C  14           H5         C  14  -3.711   3.254   0.593
  150    H6     C  14           H6         C  14  -4.630   3.936  -1.563
  151   1H5*    C  15          1H5*        C  15  -3.962   1.421  -7.526
  152   2H5*    C  15          2H5*        C  15  -4.124  -0.268  -8.046
  153    H4*    C  15           H4*        C  15  -1.815   0.584  -8.323
  154    H3*    C  15           H3*        C  15  -2.165  -1.612  -6.202
  155    H2*    C  15           H2*        C  15   0.282  -1.589  -6.092
  156   2HO*    C  15          2HO*        C  15   0.402  -1.172  -8.474
  157    H1*    C  15           H1*        C  15   0.453   1.141  -5.888
  158   1H4     C  15          1H4         C  15  -0.196  -0.782   0.127
  159   2H4     C  15          2H4         C  15  -1.932  -0.935  -0.052
  160    H5     C  15           H5         C  15  -3.062  -0.644  -2.223
  161    H6     C  15           H6         C  15  -2.726  -0.098  -4.576
  162   1H5*    A  16          1H5*        A  16   1.012  -2.850  -8.757
  163   2H5*    A  16          2H5*        A  16   0.865  -4.588  -9.087
  164    H4*    A  16           H4*        A  16   3.057  -4.031  -8.111
  165    H3*    A  16           H3*        A  16   1.223  -5.652  -6.250
  166    H2*    A  16           H2*        A  16   3.214  -5.823  -4.838
  167   2HO*    A  16          2HO*        A  16   4.707  -6.087  -6.602
  168    H1*    A  16           H1*        A  16   3.816  -3.142  -5.011
  169    H8     A  16           H8         A  16   0.046  -3.367  -5.069
  170   1H6     A  16          1H6         A  16  -0.744  -3.711  -0.274
  171   2H6     A  16          2H6         A  16   0.325  -3.845   1.106
  172    H2     A  16           H2         A  16   4.461  -4.307  -0.499
  173   1H5*    G  17          2H5*        G  17   4.842  -8.214  -7.306
  174   2H5*    G  17          1H5*        G  17   4.327  -9.913  -7.314
  175    H4*    G  17           H4*        G  17   6.254  -9.475  -5.797
  176    H3*    G  17           H3*        G  17   3.644 -10.377  -4.447
  177    H2*    G  17           H2*        G  17   5.003 -10.496  -2.410
  178   2HO*    G  17          2HO*        G  17   6.903 -11.191  -3.868
  179    H1*    G  17           H1*        G  17   6.121  -8.019  -2.759
  180    H8     G  17           H8         G  17   2.716  -7.559  -4.230
  181    H1     G  17           H1         G  17   2.630  -7.842   2.174
  182   1H2     G  17          1H2         G  17   5.873  -9.023   1.839
  183   2H2     G  17          2H2         G  17   4.566  -8.601   2.922
  184   1H5*    C  18          1H5*        C  18   6.740 -12.766  -3.004
  185   2H5*    C  18          2H5*        C  18   6.264 -14.465  -2.811
  186    H4*    C  18           H4*        C  18   7.052 -13.435  -0.691
  187    H3*    C  18           H3*        C  18   4.122 -14.328  -0.810
  188    H2*    C  18           H2*        C  18   3.969 -13.661   1.531
  189   2HO*    C  18          2HO*        C  18   6.801 -13.556   1.287
  190    H1*    C  18           H1*        C  18   5.176 -11.231   1.199
  191   1H4     C  18          1H4         C  18  -0.726 -10.495  -1.718
  192   2H4     C  18          2H4         C  18  -0.964 -10.119  -0.026
  193    H5     C  18           H5         C  18   1.434 -11.284  -2.599
  194    H6     C  18           H6         C  18   3.701 -11.942  -1.990
  195   1H5*    C  19          2H5*        C  19   5.530 -15.765   2.840
  196   2H5*    C  19          1H5*        C  19   5.001 -17.439   3.110
  197    H4*    C  19           H4*        C  19   4.203 -15.945   4.896
  198    H3*    C  19           H3*        C  19   2.027 -17.012   3.029
  199    H2*    C  19           H2*        C  19   0.436 -15.977   4.548
  200   2HO*    C  19          2HO*        C  19   2.657 -15.127   6.126
  201    H1*    C  19           H1*        C  19   1.717 -13.574   4.527
  202   1H4     C  19          1H4         C  19  -1.915 -13.271  -0.658
  203   2H4     C  19          2H4         C  19  -0.714 -14.112  -1.613
  204    H5     C  19           H5         C  19   1.388 -14.950  -0.633
  205    H6     C  19           H6         C  19   2.622 -15.244   1.451
  206    H3T    C  19           H3T        C  19   2.571 -17.606   5.759
  207   1HC   CH3   8          1HC       CH3   8  -1.535   9.139  -4.766
  208   2HC   CH3   8          2HC       CH3   8  -2.302   8.222  -6.065
  209   3HC   CH3   8          3HC       CH3   8  -2.556   9.965  -5.945
  Start of MODEL   21
    1   1H5*    G   1          1H5*        G   1  -9.105  -6.941   2.474
    2   2H5*    G   1          2H5*        G   1  -8.249  -7.967   1.305
    3    H4*    G   1           H4*        G   1  -9.563  -8.949   3.865
    4    H3*    G   1           H3*        G   1  -6.639  -8.295   3.226
    5    H2*    G   1           H2*        G   1  -6.034 -10.213   4.621
    6   2HO*    G   1          2HO*        G   1  -7.858  -9.779   6.120
    7    H1*    G   1           H1*        G   1  -7.680 -11.949   3.367
    8    H8     G   1           H8         G   1  -7.244  -9.757   0.474
    9    H1     G   1           H1         G   1  -1.737 -12.678   1.962
   10   1H2     G   1          1H2         G   1  -1.871 -13.555   3.988
   11   2H2     G   1          2H2         G   1  -3.320 -13.419   4.959
   12    H5T    G   1           H5T        G   1 -10.301  -9.187   1.229
   13   1H5*    G   2          2H5*        G   2  -6.537  -9.056   7.394
   14   2H5*    G   2          1H5*        G   2  -5.765  -7.674   8.198
   15    H4*    G   2           H4*        G   2  -4.648  -9.785   8.783
   16    H3*    G   2           H3*        G   2  -3.009  -7.859   7.048
   17    H2*    G   2           H2*        G   2  -1.175  -9.453   7.283
   18   2HO*    G   2          2HO*        G   2  -1.842  -9.914   9.558
   19    H1*    G   2           H1*        G   2  -2.675 -11.653   6.662
   20    H8     G   2           H8         G   2  -4.384  -9.111   4.572
   21    H1     G   2           H1         G   2   1.403 -10.630   2.276
   22   1H2     G   2          1H2         G   2   2.557 -11.737   3.805
   23   2H2     G   2          2H2         G   2   1.904 -12.065   5.395
   24   1H5*    C   3          2H5*        C   3  -0.258  -8.558  10.183
   25   2H5*    C   3          1H5*        C   3   0.433  -6.998  10.674
   26    H4*    C   3           H4*        C   3   2.179  -8.529   9.871
   27    H3*    C   3           H3*        C   3   1.624  -6.113   8.061
   28    H2*    C   3           H2*        C   3   3.512  -6.897   6.722
   29   2HO*    C   3          2HO*        C   3   4.666  -7.606   8.724
   30    H1*    C   3           H1*        C   3   2.655  -9.489   6.600
   31   1H4     C   3          1H4         C   3  -0.305  -6.627   1.763
   32   2H4     C   3          2H4         C   3  -1.642  -6.174   2.798
   33    H5     C   3           H5         C   3  -1.641  -6.632   5.220
   34    H6     C   3           H6         C   3  -0.324  -7.531   7.065
   35   1H5*    U   4          1H5*        U   4   5.911  -6.077   8.685
   36   2H5*    U   4          2H5*        U   4   6.413  -4.390   8.916
   37    H4*    U   4           H4*        U   4   7.581  -5.446   7.015
   38    H3*    U   4           H3*        U   4   5.595  -3.232   6.238
   39    H2*    U   4           H2*        U   4   6.540  -3.493   3.991
   40   2HO*    U   4          2HO*        U   4   8.719  -3.833   4.637
   41    H1*    U   4           H1*        U   4   6.307  -6.226   3.996
   42    H3     U   4           H3         U   4   2.796  -4.730   1.516
   43    H5     U   4           H5         U   4   1.553  -4.196   5.505
   44    H6     U   4           H6         U   4   3.797  -4.812   6.207
   45   1H5*    G   5          1H5*        G   5   9.418  -2.195   4.562
   46   2H5*    G   5          2H5*        G   5   9.639  -0.435   4.538
   47    H4*    G   5           H4*        G   5   9.755  -1.496   2.276
   48    H3*    G   5           H3*        G   5   7.418   0.452   2.728
   49    H2*    G   5           H2*        G   5   7.065   0.193   0.325
   50   2HO*    G   5          2HO*        G   5   8.758  -0.147  -0.887
   51    H1*    G   5           H1*        G   5   7.349  -2.559   0.363
   52    H8     G   5           H8         G   5   5.533  -1.854   3.542
   53    H1     G   5           H1         G   5   1.817  -1.072  -1.627
   54   1H2     G   5          1H2         G   5   4.804  -1.219  -3.386
   55   2H2     G   5          2H2         G   5   3.066  -1.025  -3.453
   56   1H5*    G   6          1H5*        G   6   9.863   1.494  -0.695
   57   2H5*    G   6          2H5*        G   6   9.936   3.245  -0.978
   58    H4*    G   6           H4*        G   6   9.125   1.927  -2.948
   59    H3*    G   6           H3*        G   6   7.168   3.946  -1.707
   60    H2*    G   6           H2*        G   6   5.718   3.391  -3.605
   61   2HO*    G   6          2HO*        G   6   7.586   3.185  -5.078
   62    H1*    G   6           H1*        G   6   5.959   0.690  -3.279
   63    H8     G   6           H8         G   6   6.255   1.872   0.248
   64    H1     G   6           H1         G   6   0.273   2.352  -2.005
   65   1H2     G   6          1H2         G   6   0.277   2.149  -4.208
   66   2H2     G   6          2H2         G   6   1.745   1.819  -5.101
   67   1H5*    C   7          1H5*        C   7   7.346   4.894  -5.854
   68   2H5*    C   7          2H5*        C   7   7.176   6.640  -6.127
   69    H4*    C   7           H4*        C   7   5.350   5.266  -7.155
   70    H3*    C   7           H3*        C   7   4.572   7.296  -4.988
   71    H2*    C   7           H2*        C   7   2.259   6.665  -5.452
   72   2HO*    C   7          2HO*        C   7   2.914   6.387  -7.827
   73    H1*    C   7           H1*        C   7   2.709   3.973  -5.358
   74   1H4     C   7          1H4         C   7   3.260   5.897   0.949
   75   2H4     C   7          2H4         C   7   1.547   5.701   0.648
   76    H5     C   7           H5         C   7   4.942   5.696  -0.846
   77    H6     C   7           H6         C   7   5.252   5.301  -3.234
   78   1H5*   +U   8          1H5*       +U   8   1.655   9.221  -8.753
   79   2H5*   +U   8          2H5*       +U   8   1.314   7.546  -8.270
   80    H4*   +U   8           H4*       +U   8  -0.738   8.940  -8.427
   81    H3*   +U   8           H3*       +U   8   0.651  10.597  -6.257
   82    H2*   +U   8           H2*       +U   8  -1.540  10.940  -5.273
   83    H1*   +U   8           H1*       +U   8  -2.346   8.319  -5.451
   84    H3    +U   8           H3        +U   8  -1.215   8.745  -1.077
   85    H5    +U   8           H5        +U   8   2.478   8.356  -3.073
   86    H6    +U   8           H6        +U   8   1.272   8.516  -5.176
   87   1H5*    G   9          2H5*        G   9  -2.115  13.243  -7.412
   88   2H5*    G   9          1H5*        G   9  -1.567  14.296  -8.732
   89    H4*    G   9           H4*        G   9  -2.994  15.470  -7.070
   90    H3*    G   9           H3*        G   9  -0.792  16.670  -8.187
   91    H2*    G   9           H2*        G   9   0.740  15.788  -6.451
   92   2HO*    G   9          2HO*        G   9  -0.188  18.395  -5.714
   93    H1*    G   9           H1*        G   9  -1.331  16.817  -4.439
   94    H8     G   9           H8         G   9   1.391  14.109  -5.167
   95    H1     G   9           H1         G   9   0.172  15.299   1.018
   96   1H2     G   9          1H2         G   9  -1.493  16.755   1.184
   97   2H2     G   9          2H2         G   9  -2.286  17.416  -0.227
   98   1H5*    U  10          2H5*        U  10  -5.985  18.250  -5.988
   99   2H5*    U  10          1H5*        U  10  -4.543  18.347  -4.957
  100    H4*    U  10           H4*        U  10  -6.463  17.131  -3.914
  101    H3*    U  10           H3*        U  10  -3.807  16.316  -3.664
  102    H2*    U  10           H2*        U  10  -3.953  14.655  -5.461
  103   2HO*    U  10          2HO*        U  10  -4.250  12.633  -4.331
  104    H1*    U  10           H1*        U  10  -6.687  13.896  -4.315
  105    H3     U  10           H3         U  10  -7.343  10.708  -7.392
  106    H5     U  10           H5         U  10  -5.266  13.653  -9.573
  107    H6     U  10           H6         U  10  -5.123  14.959  -7.528
  108   1H5*    U  11          2H5*        U  11  -6.273  14.014  -0.008
  109   2H5*    U  11          1H5*        U  11  -6.239  15.310   1.204
  110    H4*    U  11           H4*        U  11  -5.712  13.164   2.237
  111    H3*    U  11           H3*        U  11  -4.161  15.329   2.836
  112    H2*    U  11           H2*        U  11  -2.700  14.927   0.849
  113   2HO*    U  11          2HO*        U  11  -1.536  13.786   3.206
  114    H1*    U  11           H1*        U  11  -2.515  12.080   1.962
  115    H3     U  11           H3         U  11   0.853  11.411  -1.003
  116    H5     U  11           H5         U  11  -2.479  12.403  -3.383
  117    H6     U  11           H6         U  11  -3.669  12.972  -1.337
  118   1H5*    C  12          2H5*        C  12  -6.855  13.140   3.861
  119   2H5*    C  12          1H5*        C  12  -7.481  11.939   5.008
  120    H4*    C  12           H4*        C  12  -7.208  11.315   2.474
  121    H3*    C  12           H3*        C  12  -6.737   9.595   4.872
  122    H2*    C  12           H2*        C  12  -4.810   8.591   3.946
  123   2HO*    C  12          2HO*        C  12  -6.465   8.016   1.693
  124    H1*    C  12           H1*        C  12  -5.363   9.791   1.208
  125   1H4     C  12          1H4         C  12   1.168   9.275   2.435
  126   2H4     C  12          2H4         C  12   0.886   8.749   0.790
  127    H5     C  12           H5         C  12  -0.661   9.944   3.935
  128    H6     C  12           H6         C  12  -3.068  10.302   4.087
  129   1H5*    G  13          1H5*        G  13  -9.058   8.532   1.017
  130   2H5*    G  13          2H5*        G  13  -9.951   7.008   0.836
  131    H4*    G  13           H4*        G  13  -8.573   7.614  -1.163
  132    H3*    G  13           H3*        G  13  -7.740   5.050   0.313
  133    H2*    G  13           H2*        G  13  -6.161   4.756  -1.477
  134   2HO*    G  13          2HO*        G  13  -7.450   4.999  -3.249
  135    H1*    G  13           H1*        G  13  -5.734   7.562  -1.909
  136    H8     G  13           H8         G  13  -5.127   6.652   1.697
  137    H1     G  13           H1         G  13  -0.224   5.214  -2.170
  138   1H2     G  13          1H2         G  13  -2.465   5.899  -4.726
  139   2H2     G  13          2H2         G  13  -0.858   5.368  -4.283
  140   1H5*    C  14          1H5*        C  14  -8.136   1.396  -3.297
  141   2H5*    C  14          2H5*        C  14  -7.020   1.975  -2.044
  142    H4*    C  14           H4*        C  14  -6.823   2.603  -5.013
  143    H3*    C  14           H3*        C  14  -5.283   0.619  -3.251
  144    H2*    C  14           H2*        C  14  -3.338   1.126  -4.645
  145   2HO*    C  14          2HO*        C  14  -4.855   1.370  -6.567
  146    H1*    C  14           H1*        C  14  -3.598   3.827  -4.446
  147   1H4     C  14          1H4         C  14  -1.911   2.026   1.698
  148   2H4     C  14          2H4         C  14  -0.416   2.033   0.787
  149    H5     C  14           H5         C  14  -4.087   2.503   0.651
  150    H6     C  14           H6         C  14  -5.219   2.910  -1.469
  151   1H5*    C  15          1H5*        C  15  -4.348  -0.126  -7.348
  152   2H5*    C  15          2H5*        C  15  -4.301  -1.861  -7.717
  153    H4*    C  15           H4*        C  15  -2.201  -0.685  -8.336
  154    H3*    C  15           H3*        C  15  -2.000  -2.792  -6.113
  155    H2*    C  15           H2*        C  15   0.419  -2.385  -6.199
  156   2HO*    C  15          2HO*        C  15   0.195  -1.975  -8.622
  157    H1*    C  15           H1*        C  15   0.189   0.313  -5.998
  158   1H4     C  15          1H4         C  15  -1.906  -1.901  -0.108
  159   2H4     C  15          2H4         C  15  -0.176  -1.671   0.035
  160    H5     C  15           H5         C  15  -3.112  -1.497  -2.214
  161    H6     C  15           H6         C  15  -2.852  -0.960  -4.576
  162   1H5*    A  16          1H5*        A  16   1.182  -3.472  -8.674
  163   2H5*    A  16          2H5*        A  16   1.409  -5.206  -8.983
  164    H4*    A  16           H4*        A  16   3.431  -4.177  -8.017
  165    H3*    A  16           H3*        A  16   1.984  -6.154  -6.161
  166    H2*    A  16           H2*        A  16   3.936  -5.873  -4.714
  167   2HO*    A  16          2HO*        A  16   5.433  -5.788  -6.547
  168    H1*    A  16           H1*        A  16   3.948  -3.130  -4.896
  169    H8     A  16           H8         A  16   0.298  -3.947  -5.001
  170   1H6     A  16          1H6         A  16  -0.488  -4.571  -0.241
  171   2H6     A  16          2H6         A  16   0.570  -4.592   1.152
  172    H2     A  16           H2         A  16   4.752  -4.460  -0.400
  173   1H5*    G  17          2H5*        G  17   6.165  -7.648  -6.699
  174   2H5*    G  17          1H5*        G  17   6.055  -9.410  -6.884
  175    H4*    G  17           H4*        G  17   7.623  -8.768  -5.087
  176    H3*    G  17           H3*        G  17   5.059 -10.176  -4.149
  177    H2*    G  17           H2*        G  17   6.095 -10.169  -1.941
  178   2HO*    G  17          2HO*        G  17   8.243 -10.640  -2.890
  179    H1*    G  17           H1*        G  17   6.934  -7.541  -2.078
  180    H8     G  17           H8         G  17   3.643  -7.523  -3.862
  181    H1     G  17           H1         G  17   3.039  -7.891   2.508
  182   1H2     G  17          1H2         G  17   6.431  -8.606   2.462
  183   2H2     G  17          2H2         G  17   4.981  -8.420   3.421
  184   1H5*    C  18          2H5*        C  18   8.149 -12.634  -2.376
  185   2H5*    C  18          1H5*        C  18   7.665 -14.321  -2.643
  186    H4*    C  18           H4*        C  18   7.928 -13.848  -0.248
  187    H3*    C  18           H3*        C  18   5.042 -14.336  -1.169
  188    H2*    C  18           H2*        C  18   4.440 -14.194   1.192
  189   2HO*    C  18          2HO*        C  18   6.656 -15.268   1.666
  190    H1*    C  18           H1*        C  18   5.885 -11.914   1.681
  191   1H4     C  18          1H4         C  18   0.235  -9.768  -0.276
  192   2H4     C  18          2H4         C  18   0.737  -9.861  -1.950
  193    H5     C  18           H5         C  18   2.884 -10.858  -2.628
  194    H6     C  18           H6         C  18   4.930 -11.904  -1.810
  195   1H5*    C  19          2H5*        C  19   5.621 -16.999   2.116
  196   2H5*    C  19          1H5*        C  19   4.861 -18.565   1.765
  197    H4*    C  19           H4*        C  19   3.930 -17.539   3.802
  198    H3*    C  19           H3*        C  19   1.997 -17.602   1.428
  199    H2*    C  19           H2*        C  19   0.318 -16.885   3.033
  200   2HO*    C  19          2HO*        C  19   2.350 -17.018   5.035
  201    H1*    C  19           H1*        C  19   1.905 -14.877   4.032
  202   1H4     C  19          1H4         C  19  -1.080 -12.151  -0.859
  203   2H4     C  19          2H4         C  19   0.068 -12.818  -2.001
  204    H5     C  19           H5         C  19   1.868 -14.356  -1.311
  205    H6     C  19           H6         C  19   2.834 -15.555   0.583
  206    H3T    C  19           H3T        C  19   1.989 -19.150   3.809
  207   1HC   CH3   8          1HC       CH3   8  -3.748  10.280  -5.176
  208   2HC   CH3   8          2HC       CH3   8  -4.704  10.473  -6.648
  209   3HC   CH3   8          3HC       CH3   8  -3.765  11.831  -6.023