*HEADER    DNA                                     10-JUN-05   1ZYH              
*TITLE     STRUCTURE OF A SUPERCOILING RESPONSIVE DNA SITE                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-D(*CP*AP*AP*CP*CP*AP*GP*GP*GP*TP*TP*G)-3';              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: 5'-D(*CP*AP*AP*CP*CP*CP*TP*GP*GP*TP*TP*G)-3';              
*COMPND   7 CHAIN: B;                                                            
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SOLID-SUPPORT PHOSPHORAMIDITE CHEMISTRY;              
*SOURCE   4 MOL_ID: 2;                                                           
*SOURCE   5 SYNTHETIC: YES;                                                      
*SOURCE   6 OTHER_DETAILS: SOLID-SUPPORT PHOSPHORAMIDITE CHEMISTRY               
*KEYWDS    DNA, SUPERCOILING, FLEXIBILITY, HIX, HIN, RECOMBINASE                 
*EXPDTA    NMR, 13 STRUCTURES                                                    
*AUTHOR    S.H.BAE, S.H.YUN, D.SUN, H.M.LIM, B.S.CHOI                            
*REVDAT   1   23-MAY-06 1ZYH    0                                                

noe_ag.tbl0100644000076500001440000006453710131741546012041 0ustar  shbaeusers set echo=off message=off end
! last updated 2004. 10. 7
! ==================== H6/H8 based NOEs ====================

! base - base

 assign (resid   2 and name H8   ) (resid   1 and name H6   ) 6.0 1.0 1.0 !vvw <- 3.5
 assign (resid   3 and name H8   ) (resid   2 and name H8   ) 5.0 1.0 1.0 !vw <- 6.4
 assign (resid   4 and name H6   ) (resid   3 and name H8   ) 5.0 1.0 1.0 !vw <- 3.7
 assign (resid   5 and name H6   ) (resid   4 and name H6   ) 6.0 1.0 1.0 !vvw <- 5.1
 assign (resid   7 and name H8   ) (resid   6 and name H8   ) 6.0 1.0 1.0 !vw <- 4.5
 assign (resid  10 and name H6   ) (resid   9 and name H8   ) 5.0 1.0 1.0 !vw <- 4.2
 assign (resid  12 and name H8   ) (resid  11 and name H6   ) 5.1 1.0 1.0 !vw 
 assign (resid  14 and name H8   ) (resid  13 and name H6   ) 6.0 1.0 1.0 !vvw <- 5.3
 assign (resid  15 and name H8   ) (resid  14 and name H8   ) 5.0 1.0 1.0 !vw
 assign (resid  16 and name H6   ) (resid  15 and name H8   ) 5.0 1.0 1.0 !vw <- 4.6
 assign (resid  17 and name H6   ) (resid  16 and name H6   ) 6.0 1.0 1.0 !vvw <- 6.3
 assign (resid  19 and name H6   ) (resid  18 and name H6   ) 5.0 1.0 1.0 !vw <- 3.7
 assign (resid  20 and name H8   ) (resid  19 and name H6   ) 5.0 1.0 1.0 !vw <- 5.6
 assign (resid  21 and name H8   ) (resid  20 and name H8   ) 5.0 1.0 1.0 !vw <- 5.8
 assign (resid  22 and name H6   ) (resid  21 and name H8   ) 5.0 1.0 1.0 !vw <- 3.7
 assign (resid  23 and name H6   ) (resid  22 and name H6   ) 5.0 1.0 1.0 !vw /near diag
 assign (resid  24 and name H8   ) (resid  23 and name H6   ) 5.0 1.0 1.0 !vw

 assign (resid   2 and name H2   ) (resid   3 and name H2   ) 3.2 0.6 0.6 !m
 assign (resid  14 and name H2   ) (resid  15 and name H2   ) 3.1 0.6 0.6 !m

! base - H1'

 assign (resid   1 and name H6   ) (resid   1 and name H1'  ) 3.0 0.3 1.0 !m

 assign (resid   2 and name H8   ) (resid   2 and name H1'  ) 3.1 0.6 1.0 !m
 assign (resid   2 and name H8   ) (resid   1 and name H1'  ) 3.8 0.3 0.3 !w
 assign (resid   2 and name H2   ) (resid   3 and name H1'  ) 3.8 0.3 0.3 !vw <- 3.7
!assign (resid   2 and name H2   ) (resid   3 and name H1'  ) 5.0 1.0 1.0 !vw <- 3.7
 assign (resid   2 and name H2   ) (resid  24 and name H1'  ) 5.0 1.0 1.0 !vw / ov

 assign (resid   3 and name H8   ) (resid   3 and name H1'  ) 3.0 1.0 1.0 !m
 assign (resid   3 and name H8   ) (resid   2 and name H1'  ) 3.0 1.0 1.0 !m <- 3.6
 assign (resid   3 and name H8   ) (resid   4 and name H5   ) 3.0 1.0 1.0 !m <- 3.6
 assign (resid   3 and name H2   ) (resid   3 and name H1'  ) 5.0 1.0 1.0 !vw <- 3.6
 assign (resid   3 and name H2   ) (resid   4 and name H1'  ) 3.6 0.3 0.3 !w <- 3.4
 assign (resid   3 and name H2   ) (resid  23 and name H1'  ) 3.8 0.3 0.3 !w <- 3.7

 assign (resid   4 and name H6   ) (resid   4 and name H1'  ) 3.3 0.6 1.0 !w
 assign (resid   4 and name H6   ) (resid   3 and name H1'  ) 3.0 0.6 0.6 !m
 assign (resid   4 and name H6   ) (resid   5 and name H5   ) 3.1 1.0 1.0

 assign (resid   5 and name H6   ) (resid   5 and name H1'  ) 3.5 0.6 1.0 !w
 assign (resid   5 and name H6   ) (resid   4 and name H1'  ) 5.0 1.0 1.0 !vw

 assign (resid   6 and name H8   ) (resid   6 and name H1'  ) 3.3 0.3 1.0 !w <- 3.1
 assign (resid   6 and name H8   ) (resid   5 and name H1'  ) 4.1 0.6 0.6 !vw

 assign (resid   7 and name H8   ) (resid   7 and name H1'  ) 3.2 0.3 1.0 !m
 assign (resid   7 and name H8   ) (resid   6 and name H1'  ) 2.8 0.6 0.6 !m

 assign (resid   8 and name H8   ) (resid   8 and name H1'  ) 3.3 0.4 1.0 !m-w
 assign (resid   8 and name H8   ) (resid   7 and name H1'  ) 3.0 1.0 1.0 !m

 assign (resid   9 and name H8   ) (resid   9 and name H1'  ) 4.0 1.0 1.0 !w
 assign (resid   9 and name H8   ) (resid   8 and name H1'  ) 3.2 0.3 0.3 !m

 assign (resid  10 and name H6   ) (resid  10 and name H1'  ) 3.4 0.3 1.0 !m-w
 assign (resid  10 and name H6   ) (resid   9 and name H1'  ) 3.3 1.0 1.0 !m

 assign (resid  11 and name H6   ) (resid  11 and name H1'  ) 3.5 0.8 1.0 !m
 assign (resid  11 and name H6   ) (resid  10 and name H1'  ) 3.8 0.3 0.3 !m-w

 assign (resid  12 and name H8   ) (resid  12 and name H1'  ) 3.1 0.6 1.0 !m
 assign (resid  12 and name H8   ) (resid  11 and name H1'  ) 4.0 1.0 1.0 !w

 assign (resid  13 and name H6   ) (resid  13 and name H1'  ) 2.9 0.6 1.0 !m

 assign (resid  14 and name H8   ) (resid  14 and name H1'  ) 3.4 0.3 1.0 !m
 assign (resid  14 and name H8   ) (resid  13 and name H1'  ) 4.4 0.5 0.5 !w
 assign (resid  14 and name H2   ) (resid  15 and name H1'  ) 3.4 0.3 0.3 !vw <- 3.2
!assign (resid  14 and name H2   ) (resid  15 and name H1'  ) 5.0 1.0 1.0 !vw <- 3.2
!assign (resid  14 and name H2   ) (resid  11 and name H1'  ) 3.8 0.9 0.9 !vw <- 3.6 ??
!assign (resid  14 and name H2   ) (resid  11 and name H1'  ) 5.0 1.0 1.0 !vw <- 3.6 ??

 assign (resid  15 and name H8   ) (resid  15 and name H1'  ) 2.9 1.0 1.0 !m <- 3.2
 assign (resid  15 and name H8   ) (resid  14 and name H1'  ) 3.0 1.0 1.0 !m <- 3.9
 assign (resid  15 and name H8   ) (resid  16 and name H5   ) 3.0 1.0 1.0 !m <- 3.5
 assign (resid  15 and name H2   ) (resid  15 and name H1'  ) 5.0 1.0 1.0 !vw <- 3.8
 assign (resid  15 and name H2   ) (resid  16 and name H1'  ) 3.6 0.3 0.3 !w <- 3.4
 assign (resid  15 and name H2   ) (resid  11 and name H1'  ) 3.8 0.3 0.4 !w <- 3.6

 assign (resid  16 and name H6   ) (resid  16 and name H1'  ) 3.2 0.3 1.0 !w <- 3.4
 assign (resid  16 and name H6   ) (resid  15 and name H1'  ) 2.9 0.6 0.6 !m
 assign (resid  16 and name H6   ) (resid  17 and name H5   ) 4.0 1.0 1.0 !w <- 2.9

 assign (resid  17 and name H6   ) (resid  17 and name H1'  ) 4.0 1.0 1.0 !w-vw <- 2.6
 assign (resid  17 and name H6   ) (resid  16 and name H1'  ) 3.6 0.3 0.3 !w-vw <- 3.1
 assign (resid  17 and name H6   ) (resid  18 and name H5   ) 4.0 1.0 1.0 !w <- m

 assign (resid  18 and name H6   ) (resid  18 and name H1'  ) 4.0 1.0 1.0 !w <- 2.7
 assign (resid  18 and name H6   ) (resid  17 and name H1'  ) 4.0 1.0 1.0 !w <- 2.8

 assign (resid  19 and name H6   ) (resid  19 and name H1'  ) 3.6 1.0 1.0 !m
 assign (resid  19 and name H6   ) (resid  18 and name H1'  ) 4.0 1.0 1.0 !w

 assign (resid  20 and name H8   ) (resid  20 and name H1'  ) 3.2 0.3 1.0 !m
 assign (resid  20 and name H8   ) (resid  19 and name H1'  ) 3.6 0.3 0.3 !w <- 3.5

 assign (resid  21 and name H8   ) (resid  21 and name H1'  ) 2.8 0.9 1.0 !m
 assign (resid  21 and name H8   ) (resid  20 and name H1'  ) 2.7 0.9 0.9 !m

 assign (resid  22 and name H6   ) (resid  22 and name H1'  ) 4.0 1.0 1.0 !m-w <- 2.6
 assign (resid  22 and name H6   ) (resid  21 and name H1'  ) 3.2 0.3 0.3 !m

 assign (resid  23 and name H6   ) (resid  23 and name H1'  ) 3.0 1.0 1.0 !m
 assign (resid  23 and name H6   ) (resid  22 and name H1'  ) 3.8 0.6 0.6 !m-w

 assign (resid  24 and name H8   ) (resid  24 and name H1'  ) 3.1 0.6 1.0 !m
 assign (resid  24 and name H8   ) (resid  23 and name H1'  ) 4.0 1.0 1.0 !w

! base-H2'/H2''

 assign (resid   1 and name H6   ) (resid   1 and name H2'  ) 2.2 0.3 1.0
 assign (resid   1 and name H6   ) (resid   1 and name H2'' ) 3.0 1.0 1.0 !m

 assign (resid   2 and name H8   ) (resid   2 and name H2'  ) 2.0 0.3 1.0
 assign (resid   2 and name H8   ) (resid   2 and name H2'' ) 3.8 1.1 1.1 !m <- 3.7
 assign (resid   2 and name H8   ) (resid   1 and name H2'  ) 3.4 0.3 0.3 !m <- 4.2
 assign (resid   2 and name H8   ) (resid   1 and name H2'' ) 2.8 0.3 0.3 !m <- 2.7

 assign (resid   3 and name H8   ) (resid   3 and name H2'  ) 2.0 1.0 1.0 !s 
 assign (resid   3 and name H8   ) (resid   3 and name H2'' ) 3.0 1.0 1.0 !m /ov
 assign (resid   3 and name H8   ) (resid   2 and name H2'  ) 3.0 1.0 1.0 !m /ov
 assign (resid   3 and name H8   ) (resid   2 and name H2'' ) 3.0 1.0 1.0 !m /ov 

 assign (resid   4 and name H6   ) (resid   4 and name H2'  ) 2.2 0.3 1.0
 assign (resid   4 and name H6   ) (resid   4 and name H2'' ) 2.8 0.6 1.0
 assign (resid   4 and name H6   ) (resid   3 and name H2'  ) 4.0 1.0 1.0 !w
 assign (resid   4 and name H6   ) (resid   3 and name H2'' ) 3.0 0.3 0.3 !m

 assign (resid   5 and name H6   ) (resid   5 and name H2'  ) 2.4 0.3 1.0 !m or m-s
 assign (resid   5 and name H6   ) (resid   5 and name H2'' ) 3.1 0.3 1.0 !m <- 4.2
 assign (resid   5 and name H6   ) (resid   4 and name H2'  ) 2.9 0.6 0.6 !m
 assign (resid   5 and name H6   ) (resid   4 and name H2'' ) 2.9 0.4 0.4 !m <- 2.7

 assign (resid   6 and name H8   ) (resid   6 and name H2'  ) 2.6 0.3 1.0
 assign (resid   6 and name H8   ) (resid   6 and name H2'' ) 3.0 1.0 1.0 !m <- 4.8
 assign (resid   6 and name H8   ) (resid   5 and name H2'  ) 5.0 1.0 1.0 !vw <- 3.8
 assign (resid   6 and name H8   ) (resid   5 and name H2'' ) 4.0 1.0 1.0 !w <- 3.1

 assign (resid   7 and name H8   ) (resid   7 and name H2'  ) 2.0 1.0 1.0 !s
 assign (resid   7 and name H8   ) (resid   7 and name H2'' ) 3.0 1.0 1.0 !m
 assign (resid   7 and name H8   ) (resid   6 and name H2'  ) 3.0 1.0 1.0 !m <- 3.5
 assign (resid   7 and name H8   ) (resid   6 and name H2'' ) 3.0 1.0 1.0 !m

 assign (resid   8 and name H8   ) (resid   8 and name H2'  ) 2.0 1.0 1.0 !ov
 assign (resid   8 and name H8   ) (resid   8 and name H2'' ) 3.0 1.0 1.0 !ov
 assign (resid   8 and name H8   ) (resid   7 and name H2'  ) 3.0 1.0 1.0 !ov <- 3.5
 assign (resid   8 and name H8   ) (resid   7 and name H2'' ) 3.0 1.0 1.0 !ov

 assign (resid   9 and name H8   ) (resid   9 and name H2'  ) 2.0 1.0 1.0 !ov
 assign (resid   9 and name H8   ) (resid   9 and name H2'' ) 3.0 1.0 1.0 !ov
 assign (resid   9 and name H8   ) (resid   8 and name H2'  ) 3.0 1.0 1.0 !ov <- 3.5
 assign (resid   9 and name H8   ) (resid   8 and name H2'' ) 3.0 1.0 1.0 !ov

 assign (resid  10 and name H6   ) (resid  10 and name H2'  ) 2.0 1.0 1.0 !ov
 assign (resid  10 and name H6   ) (resid  10 and name H2'' ) 3.0 1.0 1.0 !ov
 assign (resid  10 and name H6   ) (resid   9 and name H2'  ) 3.0 1.0 1.0 !ov <- 3.5
 assign (resid  10 and name H6   ) (resid   9 and name H2'' ) 3.0 1.0 1.0 !ov

 assign (resid  11 and name H6   ) (resid  11 and name H2'  ) 2.4 0.3 1.0
 assign (resid  11 and name H6   ) (resid  11 and name H2'' ) 3.0 0.6 1.0 !
 assign (resid  11 and name H6   ) (resid  10 and name H2'  ) 3.0 1.0 1.0 !m <- 3.5
 assign (resid  11 and name H6   ) (resid  10 and name H2'' ) 2.4 0.3 0.6 !m

 assign (resid  12 and name H8   ) (resid  12 and name H2'  ) 2.0 1.0 1.0 !s
 assign (resid  12 and name H8   ) (resid  12 and name H2'' ) 3.0 1.0 1.0 !m <- s
 assign (resid  12 and name H8   ) (resid  11 and name H2'  ) 3.5 1.0 1.0 !m-w
 assign (resid  12 and name H8   ) (resid  11 and name H2'' ) 3.0 1.0 1.0 !m

 assign (resid  13 and name H6   ) (resid  13 and name H2'  ) 2.0 0.6 1.0
 assign (resid  13 and name H6   ) (resid  13 and name H2'' ) 3.0 1.0 1.0 !m

 assign (resid  14 and name H8   ) (resid  14 and name H2'  ) 2.4 0.3 1.0 !s
 assign (resid  14 and name H8   ) (resid  14 and name H2'' ) 2.8 0.5 1.0 !m <- 3.4
 assign (resid  14 and name H8   ) (resid  13 and name H2'  ) 3.2 0.3 0.3 !m <- 3.5 
 assign (resid  14 and name H8   ) (resid  13 and name H2'' ) 3.0 0.3 0.3 !m

 assign (resid  15 and name H8   ) (resid  15 and name H2'  ) 2.0 1.0 1.0 !s
 assign (resid  15 and name H8   ) (resid  15 and name H2'' ) 3.0 1.0 1.0 !m
 assign (resid  15 and name H8   ) (resid  14 and name H2'  ) 3.0 1.0 1.0 !m <- 3.5
 assign (resid  15 and name H8   ) (resid  14 and name H2'' ) 3.0 1.0 1.0 !m

 assign (resid  16 and name H6   ) (resid  16 and name H2'  ) 2.2 0.3 1.0 
 assign (resid  16 and name H6   ) (resid  16 and name H2'' ) 3.5 0.6 1.0 !
 assign (resid  16 and name H6   ) (resid  15 and name H2'  ) 4.0 1.0 1.0 !w <- 3.6
 assign (resid  16 and name H6   ) (resid  15 and name H2'' ) 3.3 0.6 0.6 

 assign (resid  17 and name H6   ) (resid  17 and name H2'  ) 2.4 0.3 1.0 !s
 assign (resid  17 and name H6   ) (resid  17 and name H2'' ) 3.0 1.0 1.0 !m
 assign (resid  17 and name H6   ) (resid  16 and name H2'  ) 2.7 0.6 0.6 !m
 assign (resid  17 and name H6   ) (resid  16 and name H2'' ) 2.5 0.6 0.6 !m <- 2.3

 assign (resid  18 and name H6   ) (resid  18 and name H2'  ) 2.4 0.3 1.0
 assign (resid  18 and name H6   ) (resid  18 and name H2'' ) 3.0 1.0 1.0 !ov
 assign (resid  18 and name H6   ) (resid  17 and name H2'  ) 3.6 0.6 0.6 !w <- 3.1
!assign (resid  18 and name H6   ) (resid  17 and name H2'  ) 4.0 1.0 1.0 !w <- 3.1
 assign (resid  18 and name H6   ) (resid  17 and name H2'' ) 3.0 1.0 1.0 !ov

 assign (resid  19 and name H6   ) (resid  19 and name H2'  ) 2.0 1.0 1.0 !ov
 assign (resid  19 and name H6   ) (resid  19 and name H2'' ) 3.0 1.0 1.0 !ov
 assign (resid  19 and name H6   ) (resid  18 and name H2'  ) 3.0 1.0 1.0 !ov <- 3.5
 assign (resid  19 and name H6   ) (resid  18 and name H2'' ) 3.0 1.0 1.0 !ov

 assign (resid  20 and name H8   ) (resid  20 and name H2'  ) 2.4 0.3 1.0
 assign (resid  20 and name H8   ) (resid  20 and name H2'' ) 3.0 1.0 1.0
 assign (resid  20 and name H8   ) (resid  19 and name H2'  ) 4.0 1.0 1.0 !w <- 2.9
 assign (resid  20 and name H8   ) (resid  19 and name H2'' ) 2.7 0.3 0.3 !m

 assign (resid  21 and name H8   ) (resid  21 and name H2'  ) 2.5 1.0 1.0 !
 assign (resid  21 and name H8   ) (resid  21 and name H2'' ) 3.0 1.0 1.0 !m
 assign (resid  21 and name H8   ) (resid  20 and name H2'  ) 3.0 1.0 1.0 !m /ov <- 3.5
 assign (resid  21 and name H8   ) (resid  20 and name H2'' ) 3.0 1.0 1.0 !m /ov

 assign (resid  22 and name H6   ) (resid  22 and name H2'  ) 2.0 1.0 1.0 !ov
 assign (resid  22 and name H6   ) (resid  22 and name H2'' ) 3.0 1.0 1.0 !ov
 assign (resid  22 and name H6   ) (resid  21 and name H2'  ) 3.0 1.0 1.0 !ov <- 3.5
 assign (resid  22 and name H6   ) (resid  21 and name H2'' ) 3.0 1.0 1.0 !ov

 assign (resid  23 and name H6   ) (resid  23 and name H2'  ) 2.4 0.3 1.0
 assign (resid  23 and name H6   ) (resid  23 and name H2'' ) 2.6 0.9 1.0 !m
 assign (resid  23 and name H6   ) (resid  22 and name H2'  ) 3.0 1.0 1.0 !m <- 3.5
 assign (resid  23 and name H6   ) (resid  22 and name H2'' ) 2.4 0.6 0.6 !m

 assign (resid  24 and name H8   ) (resid  24 and name H2'  ) 2.0 1.0 1.0 !s
 assign (resid  24 and name H8   ) (resid  24 and name H2'' ) 3.0 1.0 1.0 !m <- s
 assign (resid  24 and name H8   ) (resid  23 and name H2'  ) 3.5 1.0 1.0 !m-w
 assign (resid  24 and name H8   ) (resid  23 and name H2'' ) 3.0 1.0 1.0 !m

! base - H3'

 assign (resid   1 and name H6   ) (resid   1 and name H3'  ) 3.0 1.0 1.0 !m

 assign (resid   2 and name H8   ) (resid   2 and name H3'  ) 3.6 0.3 0.3 !m <- 4.4
 assign (resid   2 and name H8   ) (resid   1 and name H3'  ) 4.0 1.0 1.0 !w <- 3.6

 assign (resid   3 and name H8   ) (resid   3 and name H3'  ) 3.0 1.0 1.0 !m
 assign (resid   3 and name H8   ) (resid   2 and name H3'  ) 3.0 1.0 1.0 !m

 assign (resid   4 and name H6   ) (resid   4 and name H3'  ) 3.5 0.6 0.6
 assign (resid   4 and name H6   ) (resid   3 and name H3'  ) 3.5 0.5 0.5

!assign (resid   5 and name H6   ) (resid   5 and name H3'  ) 6.0 1.0 1.0 !absent
 assign (resid   5 and name H6   ) (resid   4 and name H3'  ) 5.0 1.0 1.0 !vw

 assign (resid   6 and name H8   ) (resid   6 and name H3'  ) 3.3 0.3 0.3 !m
!assign (resid   6 and name H8   ) (resid   5 and name H3'  ) 6.0 1.0 1.0 !absent

 assign (resid   7 and name H8   ) (resid   7 and name H3'  ) 4.0 1.0 1.0 !w
 assign (resid   7 and name H8   ) (resid   6 and name H3'  ) 5.0 1.0 1.0 !vw

 assign (resid   8 and name H8   ) (resid   8 and name H3'  ) 4.0 1.0 1.0 !w
 assign (resid   8 and name H8   ) (resid   7 and name H3'  ) 5.0 1.0 1.0 !vw

 assign (resid   9 and name H8   ) (resid   9 and name H3'  ) 2.7 0.9 0.9 !m
 assign (resid   9 and name H8   ) (resid   8 and name H3'  ) 4.0 1.0 1.0 !w <- 3.3

 assign (resid  10 and name H6   ) (resid  10 and name H3'  ) 4.0 1.0 1.0 !w /ov
 assign (resid  10 and name H6   ) (resid   9 and name H3'  ) 4.0 1.0 1.0 !w /ov

 assign (resid  11 and name H6   ) (resid  11 and name H3'  ) 4.0 1.0 1.0 !w /ov
 assign (resid  11 and name H6   ) (resid  10 and name H3'  ) 4.0 1.0 1.0 !w /ov

 assign (resid  12 and name H8   ) (resid  12 and name H3'  ) 3.0 1.0 1.0 !m
 assign (resid  12 and name H8   ) (resid  11 and name H3'  ) 5.0 1.0 1.0 !vw

 assign (resid  13 and name H6   ) (resid  13 and name H3'  ) 4.0 1.0 1.0 !w <- m

 assign (resid  14 and name H8   ) (resid  14 and name H3'  ) 3.0 1.0 1.0 !m <- 4.2
 assign (resid  14 and name H8   ) (resid  13 and name H3'  ) 4.0 1.0 1.0 !w <- 3.6

 assign (resid  15 and name H8   ) (resid  15 and name H3'  ) 3.0 1.0 1.0 !m
 assign (resid  15 and name H8   ) (resid  14 and name H3'  ) 3.0 1.0 1.0 !m

 assign (resid  16 and name H6   ) (resid  16 and name H3'  ) 3.9 0.4 0.4 !w
 assign (resid  16 and name H6   ) (resid  15 and name H3'  ) 5.0 1.0 1.0 !vw <- 4.3

 assign (resid  17 and name H6   ) (resid  17 and name H3'  ) 3.4 0.3 0.3 !w <- 3.3
 assign (resid  17 and name H6   ) (resid  16 and name H3'  ) 4.6 0.9 0.9 !vw

 assign (resid  18 and name H6   ) (resid  18 and name H3'  ) 4.0 1.0 1.0 !w
 assign (resid  18 and name H6   ) (resid  17 and name H3'  ) 5.0 1.0 1.0 !vw /ov

 assign (resid  19 and name H6   ) (resid  19 and name H3'  ) 4.0 1.0 1.0 !w
 assign (resid  19 and name H6   ) (resid  18 and name H3'  ) 5.0 1.0 1.0 !vw <- 4.5

 assign (resid  20 and name H8   ) (resid  20 and name H3'  ) 3.8 0.5 0.5 !m
 assign (resid  20 and name H8   ) (resid  19 and name H3'  ) 5.1 0.9 0.9 !vw <- 4.8

 assign (resid  21 and name H8   ) (resid  21 and name H3'  ) 2.8 0.6 0.6 !m
 assign (resid  21 and name H8   ) (resid  20 and name H3'  ) 5.2 1.0 1.0 !vw <- 4.2

 assign (resid  22 and name H6   ) (resid  22 and name H3'  ) 4.0 1.0 1.0 !w
 assign (resid  22 and name H6   ) (resid  21 and name H3'  ) 5.0 1.0 1.0 !vw <- 3.4

 assign (resid  23 and name H6   ) (resid  23 and name H3'  ) 4.0 1.0 1.0 !w
 assign (resid  23 and name H6   ) (resid  22 and name H3'  ) 4.0 1.0 1.0 !w

 assign (resid  24 and name H8   ) (resid  24 and name H3'  ) 3.0 1.0 1.0 !m
 assign (resid  24 and name H8   ) (resid  23 and name H3'  ) 5.0 1.0 1.0 !vw

! base - H4'/H5'/H5''
! H5'# : H5' and H5'' are ambiguous (one resonance)

 assign (resid   1 and name H6   ) (resid   1 and name H4'  ) 5.0 1.0 1.0 !vw <- 3.6

 assign (resid   2 and name H8   ) (resid   2 and name H4'  ) 5.0 1.0 1.0 !vw <- 3.6
 assign (resid   2 and name H8   ) (resid   2 and name H5'  ) 5.0 1.0 1.0 !vw <- 3.6
 assign (resid   2 and name H8   ) (resid   2 and name H5'' ) 5.0 1.0 1.0 !vw <- 3.6

 assign (resid   3 and name H8   ) (resid   3 and name H4'  ) 4.0 1.0 1.0 !w <- 2.9
 assign (resid   3 and name H8   ) (resid   3 and name H5'# ) 5.0 1.0 1.0 !w-vw /ov
 assign (resid   3 and name H8   ) (resid   2 and name H4'  ) 6.0 1.5 1.0 !vvw <- 4.2

 assign (resid   4 and name H6   ) (resid   4 and name H4'  ) 5.0 1.0 1.0 !vw <- 3.1
 assign (resid   4 and name H6   ) (resid   4 and name H5'# ) 6.0 1.5 1.0 !vvw

 assign (resid   5 and name H6   ) (resid   5 and name H5'# ) 5.0 1.0 1.0 !vw

 assign (resid   6 and name H8   ) (resid   6 and name H4'  ) 6.0 1.5 1.0 !vvw
 assign (resid   6 and name H8   ) (resid   6 and name H5'  ) 6.0 1.5 1.0 !vvw

 assign (resid   7 and name H8   ) (resid   7 and name H4'  ) 6.0 1.5 1.0 !vvw
 assign (resid   7 and name H8   ) (resid   7 and name H5'# ) 5.0 1.0 1.0 !vw

 assign (resid   8 and name H8   ) (resid   8 and name H4'  ) 6.0 1.5 1.0 !vvw
 assign (resid   8 and name H8   ) (resid   8 and name H5'# ) 5.0 1.0 1.0 !vw

 assign (resid   9 and name H8   ) (resid   9 and name H4'  ) 6.0 1.5 1.0 !vvw
 assign (resid   9 and name H8   ) (resid   9 and name H5'# ) 5.0 1.0 1.0 !vw

 assign (resid  10 and name H6   ) (resid  10 and name H4'  ) 6.0 1.5 1.0 !vvw /ov
 assign (resid  10 and name H6   ) (resid  10 and name H5'# ) 6.0 1.5 1.0 !vvw /ov

 assign (resid  11 and name H6   ) (resid  11 and name H4'  ) 5.0 1.0 1.0 !vw
 assign (resid  11 and name H6   ) (resid  11 and name H5'  ) 5.0 1.0 1.0 !vw <- vvw
 assign (resid  11 and name H6   ) (resid  10 and name H4'  ) 6.0 1.0 1.0 !vvw

 assign (resid  12 and name H8   ) (resid  12 and name H4'  ) 6.0 1.5 1.0 !vvw /ov
 assign (resid  12 and name H8   ) (resid  12 and name H5'# ) 6.0 1.5 1.0 !vvw /ov
 assign (resid  12 and name H8   ) (resid  11 and name H5'  ) 6.0 1.0 1.0 !vvw /ov

 assign (resid  13 and name H6   ) (resid  13 and name H4'  ) 5.0 1.0 1.0 !vw /ov

 assign (resid  14 and name H8   ) (resid  14 and name H4'  ) 5.0 1.0 1.0 !vw <- 3.6
 assign (resid  14 and name H8   ) (resid  14 and name H5'  ) 5.0 1.0 1.0 !vw <- 3.6
 assign (resid  14 and name H8   ) (resid  14 and name H5'' ) 5.0 1.0 1.0 !vw <- 3.6

 assign (resid  15 and name H8   ) (resid  15 and name H4'  ) 5.0 1.0 1.0 !vw <- 2.9
 assign (resid  15 and name H8   ) (resid  15 and name H5'# ) 5.0 1.0 1.0 !w-vw /ov
 assign (resid  15 and name H8   ) (resid  14 and name H4'  ) 6.0 1.0 1.0 !vvw

 assign (resid  16 and name H6   ) (resid  16 and name H4'  ) 6.0 1.5 1.0 !vvw
 assign (resid  16 and name H6   ) (resid  16 and name H5'# ) 6.0 1.5 1.0 !vvw

 assign (resid  17 and name H6   ) (resid  17 and name H4'  ) 6.0 1.5 1.0 !vvw <- 3.3
 assign (resid  17 and name H6   ) (resid  17 and name H5'# ) 5.0 1.0 1.0 !vw <- 3.3

 assign (resid  18 and name H6   ) (resid  18 and name H4'  ) 6.0 1.5 1.0 !vvw 
 assign (resid  18 and name H6   ) (resid  18 and name H5'  ) 5.0 1.0 1.0 !vw <- vvw

 assign (resid  19 and name H6   ) (resid  19 and name H4'  ) 6.0 1.5 1.0 !vvw /ov
 assign (resid  19 and name H6   ) (resid  19 and name H5'# ) 6.0 1.5 1.0 !vvw /ov

 assign (resid  20 and name H8   ) (resid  20 and name H4'  ) 6.0 1.5 1.0 !vvw
 assign (resid  20 and name H8   ) (resid  20 and name H5'  ) 5.0 1.0 1.0 !vw <- vvw
 assign (resid  20 and name H8   ) (resid  20 and name H5'' ) 5.0 1.0 1.0 !vw <- vvw

 assign (resid  21 and name H8   ) (resid  21 and name H4'  ) 6.0 1.5 1.0 !vvw
 assign (resid  21 and name H8   ) (resid  21 and name H5'# ) 5.0 1.0 1.0 !vw
 assign (resid  21 and name H8   ) (resid  20 and name H4'  ) 6.0 1.5 1.0 !vvw

 assign (resid  22 and name H6   ) (resid  22 and name H4'  ) 6.0 1.5 1.0 !vvw /ov
 assign (resid  22 and name H6   ) (resid  22 and name H5'# ) 6.0 1.5 1.0 !vvw /ov

 assign (resid  23 and name H6   ) (resid  23 and name H4'  ) 5.0 1.0 1.0 !vw
 assign (resid  23 and name H6   ) (resid  23 and name H5'  ) 5.0 1.0 1.0 !vw <- vvw
 assign (resid  23 and name H6   ) (resid  22 and name H4'  ) 6.0 1.0 1.0 !vvw

 assign (resid  24 and name H8   ) (resid  24 and name H4'  ) 6.0 1.5 1.0 !vvw /ov
 assign (resid  24 and name H8   ) (resid  24 and name H5'# ) 6.0 1.5 1.0 !vvw /ov
 assign (resid  24 and name H8   ) (resid  23 and name H5'  ) 6.0 1.5 1.0 !vvw /ov

! ==================== sugar based NOEs ====================

 assign (resid   1 and name H1'  ) (resid   1 and name H5   ) 6.0 1.0 1.0 !vvw
 assign (resid   2 and name H1'  ) (resid   3 and name H5'# ) 5.0 1.0 1.0 !vw
 assign (resid   3 and name H1'  ) (resid   4 and name H5   ) 6.0 1.0 1.0 !vvw
 assign (resid   3 and name H1'  ) (resid   4 and name H4'  ) 6.0 1.0 1.0 !vvw /ov
 assign (resid   3 and name H1'  ) (resid   4 and name H5'# ) 5.0 1.0 1.0 !vw
 assign (resid   3 and name H3'  ) (resid   4 and name H5   ) 6.0 1.0 1.0 !vvw <- 5.3
 assign (resid   4 and name H1'  ) (resid   5 and name H5'# ) 5.0 1.0 1.0 !vw
 assign (resid   4 and name H1'  ) (resid   5 and name H5   ) 6.0 1.0 1.0 !vvw
 assign (resid   4 and name H3'  ) (resid   5 and name H5   ) 6.0 1.0 1.0 !vvw
 assign (resid   8 and name H1'  ) (resid   9 and name H5'# ) 6.0 1.0 1.0 !vvw
 assign (resid  10 and name H1'  ) (resid  11 and name H5'  ) 5.0 1.0 1.0 !vw
 assign (resid  10 and name H1'  ) (resid  11 and name H5'' ) 6.0 1.0 1.0 !vvw
 assign (resid  13 and name H1'  ) (resid  14 and name H5'  ) 5.0 1.0 1.0 !vw
 assign (resid  13 and name H1'  ) (resid  14 and name H5'' ) 6.0 1.0 1.0 !vvw
 assign (resid  14 and name H1'  ) (resid  15 and name H4'  ) 6.0 1.0 1.0 !vvw
 assign (resid  14 and name H1'  ) (resid  15 and name H5'# ) 5.0 1.0 1.0 !vw
 assign (resid  15 and name H1'  ) (resid  16 and name H1'  ) 6.0 1.0 1.0 !vvw <- 3.0
 assign (resid  15 and name H1'  ) (resid  16 and name H4'  ) 6.0 1.0 1.0 !vvw /ov
 assign (resid  15 and name H1'  ) (resid  16 and name H5'# ) 5.0 1.0 1.0 !vw
 assign (resid  15 and name H1'  ) (resid  16 and name H5   ) 6.0 1.0 1.0 !vvw
 assign (resid  15 and name H3'  ) (resid  16 and name H5   ) 6.0 1.0 1.0 !vvw <- 4.3
 assign (resid  16 and name H1'  ) (resid  17 and name H5'# ) 5.0 1.0 1.0 !vw
 assign (resid  16 and name H1'  ) (resid  17 and name H5   ) 6.0 1.0 1.0 !vvw
 assign (resid  16 and name H3'  ) (resid  17 and name H5   ) 6.0 1.0 1.0 !vvw
 assign (resid  17 and name H1'  ) (resid  18 and name H5   ) 6.0 1.0 1.0 !vvw
 assign (resid  19 and name H1'  ) (resid  20 and name H5'  ) 4.0 1.0 1.0 !w <- vw
 assign (resid  20 and name H1'  ) (resid  21 and name H5'# ) 5.0 1.0 1.0 !vw
 assign (resid  22 and name H1'  ) (resid  23 and name H5'  ) 4.0 1.0 1.0 !w <- vw
 assign (resid  22 and name H1'  ) (resid  23 and name H5'' ) 5.0 1.0 1.0 !vw <- vvw

 assign (resid   4 and name H5   ) (resid   5 and name H5   ) 6.0 1.0 1.0 !vvw <- 3.9
 assign (resid  16 and name H5   ) (resid  17 and name H5   ) 6.0 1.0 1.0 !vvw <- 4.5
 assign (resid  17 and name H5   ) (resid  18 and name H5   ) 6.0 1.0 1.0 !vvw <- 4.0

 assign (resid   1 and name H5   ) (resid   1 and name H2'  ) 5.0 1.0 1.0 !vw
 assign (resid   4 and name H5   ) (resid   3 and name H2'  ) 4.0 1.0 1.0 !w <- vvw
 assign (resid   4 and name H5   ) (resid   3 and name H2'' ) 5.0 1.0 1.0 !vw
 assign (resid   5 and name H5   ) (resid   4 and name H2'  ) 4.0 1.0 1.0 !w
 assign (resid   5 and name H5   ) (resid   4 and name H2'' ) 4.0 1.0 1.0 !w <- 3.8
 assign (resid  13 and name H5   ) (resid  13 and name H2'  ) 5.0 1.0 1.0 !vw
 assign (resid  16 and name H5   ) (resid  16 and name H2'  ) 5.0 1.0 1.0 !vw < vvw
 assign (resid  16 and name H5   ) (resid  16 and name H2'' ) 5.0 1.0 1.0 !vw
 assign (resid  17 and name H5   ) (resid  17 and name H2'  ) 5.0 1.0 1.0 !vw <- 4.5
 assign (resid  17 and name H5   ) (resid  16 and name H2'  ) 5.0 1.0 1.0 !vw <- 4.4
 assign (resid  17 and name H5   ) (resid  16 and name H2'' ) 5.0 1.0 1.0 !vw <- 4.4
 assign (resid  18 and name H5   ) (resid  17 and name H2'  ) 5.0 1.0 1.0 !vw <- 3.7
 assign (resid  18 and name H5   ) (resid  17 and name H2'' ) 4.0 1.0 1.0 !w
 assign (resid  18 and name H5   ) (resid  18 and name H2'  ) 5.0 1.0 1.0 !vw < vvw <- 3.8

 assign (resid   7 and name H2'' ) (resid   7 and name H4'  ) 3.6 1.0 1.0
 assign (resid   7 and name H2'  ) (resid   7 and name H4'  ) 4.0 1.0 1.0 !w <- 5.7
 assign (resid   8 and name H3'  ) (resid   8 and name H4'  ) 2.8 1.0 1.0
 assign (resid   9 and name H2'' ) (resid   9 and name H4'  ) 4.5 1.0 1.0
 assign (resid   9 and name H3'  ) (resid   9 and name H4'  ) 2.8 1.0 1.0
 assign (resid  21 and name H2'' ) (resid  21 and name H4'  ) 3.9 1.0 1.0
 assign (resid  21 and name H3'  ) (resid  21 and name H4'  ) 2.7 1.0 1.0

 set echo=on message=on end
hbond_ag.tbl0100644000076500001440000000500410111302454012317 0ustar  shbaeusersset message=off echo=off end

! Watson-Crick geometry : 
!   Wolfram Saenger, Principles of Nucleic Acid Structure
! pp 118, Springer-Verlag New York Inc.
!
! more flexibility on the terminal base pairs
! Hix AG mutant
! sequence :  1-CAACCAGGGTTG-12
!            24-GTTGGTCCCAAC-13

!G24-C1
assign ( resid 24 and name O6 ) ( resid  1 and name N4 ) 2.95 0.2 0.2
assign ( resid 24 and name N1 ) ( resid  1 and name N3 ) 2.90 0.2 0.2
assign ( resid 24 and name N2 ) ( resid  1 and name O2 ) 2.95 0.2 0.2

!A2-T23
assign ( resid  2 and name N6 ) ( resid 23 and name O4 ) 2.95 0.2 0.2
assign ( resid  2 and name N1 ) ( resid 23 and name N3 ) 2.90 0.2 0.2

!A3-T22
assign ( resid  3 and name N6 ) ( resid 22 and name O4 ) 2.95 0.2 0.2
assign ( resid  3 and name N1 ) ( resid 22 and name N3 ) 2.90 0.2 0.2

!G21-C4
assign ( resid 21 and name O6 ) ( resid  4 and name N4 ) 2.95 0.2 0.2
assign ( resid 21 and name N1 ) ( resid  4 and name N3 ) 2.90 0.2 0.2
assign ( resid 21 and name N2 ) ( resid  4 and name O2 ) 2.95 0.2 0.2

!G20-C5
assign ( resid 20 and name O6 ) ( resid  5 and name N4 ) 2.95 0.2 0.2
assign ( resid 20 and name N1 ) ( resid  5 and name N3 ) 2.90 0.2 0.2
assign ( resid 20 and name N2 ) ( resid  5 and name O2 ) 2.95 0.2 0.2

!A6-T19
assign ( resid  6 and name N6 ) ( resid 19 and name O4 ) 2.95 0.2 0.2
assign ( resid  6 and name N1 ) ( resid 19 and name N3 ) 2.90 0.2 0.2

!G7-C18
assign ( resid  7 and name O6 ) ( resid 18 and name N4 ) 2.95 0.2 0.2
assign ( resid  7 and name N1 ) ( resid 18 and name N3 ) 2.90 0.2 0.2
assign ( resid  7 and name N2 ) ( resid 18 and name O2 ) 2.95 0.2 0.2

!G8-C17
assign ( resid  8 and name O6 ) ( resid 17 and name N4 ) 2.95 0.2 0.2
assign ( resid  8 and name N1 ) ( resid 17 and name N3 ) 2.90 0.2 0.2
assign ( resid  8 and name N2 ) ( resid 17 and name O2 ) 2.95 0.2 0.2

!G9-C16
assign ( resid  9 and name O6 ) ( resid 16 and name N4 ) 2.95 0.2 0.2
assign ( resid  9 and name N1 ) ( resid 16 and name N3 ) 2.90 0.2 0.2
assign ( resid  9 and name N2 ) ( resid 16 and name O2 ) 2.95 0.2 0.2

!A15-T10
assign ( resid 15 and name N6 ) ( resid 10 and name O4 ) 2.95 0.2 0.2
assign ( resid 15 and name N1 ) ( resid 10 and name N3 ) 2.90 0.2 0.2

!A14-T11
assign ( resid 14 and name N6 ) ( resid 11 and name O4 ) 2.95 0.2 0.2
assign ( resid 14 and name N1 ) ( resid 11 and name N3 ) 2.90 0.2 0.2

!G12-C13
assign ( resid 12 and name O6 ) ( resid 13 and name N4 ) 2.95 0.2 0.2
assign ( resid 12 and name N1 ) ( resid 13 and name N3 ) 2.90 0.2 0.2
assign ( resid 12 and name N2 ) ( resid 13 and name O2 ) 2.95 0.2 0.2
plan.tbl0100644000076500001440000000760610110066643011530 0ustar  shbaeusersset message=off echo=off end

! base pair planarity for dodecamer duplex
! 2004. 7. 27
! numbering : 5'  1- 2- 3- 4- 5- 6- 7- 8- 9-10-11-12 3'
!             3' 24-23-22-21-20-19-18-17-16-15-14-13 5'
!
! 1-24
!--------------------------------------------------------------------
group
selection=     ((resid 1 and name N1) or (resid 1 and name N3) or
                (resid 1 and name C5) or (resid 24 and name N1) or
               (resid 24 and name N3) or (resid 24 and name C5))
weight = $pscale_ter end

! 2-23
!--------------------------------------------------------------------
group
selection=     ((resid 2 and name N1) or (resid 2 and name N3) or
                (resid 2 and name C5) or (resid 23 and name N1) or
               (resid 23 and name N3) or (resid 23 and name C5))
weight = $pscale_int end

! 3-22
!--------------------------------------------------------------------
group
selection=     ((resid 3 and name N1) or (resid 3 and name N3) or
                (resid 3 and name C5) or (resid 22 and name N1) or
               (resid 22 and name N3) or (resid 22 and name C5))
weight = $pscale_int end

! 4-21
!--------------------------------------------------------------------
group
selection=     ((resid 4 and name N1) or (resid 4 and name N3) or
                (resid 4 and name C5) or (resid 21 and name N1) or
               (resid 21 and name N3) or (resid 21 and name C5))
weight = $pscale_int end

! 5-20
!--------------------------------------------------------------------
group
selection=     ((resid 5 and name N1) or (resid 5 and name N3) or
                (resid 5 and name C5) or (resid 20 and name N1) or
               (resid 20 and name N3) or (resid 20 and name C5))
weight = $pscale_int end

! 6-19
!--------------------------------------------------------------------
group
selection=     ((resid 6 and name N1) or (resid 6 and name N3) or
                (resid 6 and name C5) or (resid 19 and name N1) or
               (resid 19 and name N3) or (resid 19 and name C5))
weight = $pscale_int end

! 7-18
!--------------------------------------------------------------------
!group
!selection=     ((resid 7 and name N1) or (resid 7 and name N3) or
!                (resid 7 and name C5) or (resid 18 and name N1) or
!               (resid 18 and name N3) or (resid 18 and name C5) or
!               (resid 18 and name N6) or (resid 18 and name C10))
!weight = $pscale_int end

! 8-17
!--------------------------------------------------------------------
group
selection=     ((resid 8 and name N1) or (resid 8 and name N3) or
                (resid 8 and name C5) or (resid 17 and name N1) or
               (resid 17 and name N3) or (resid 17 and name C5))
weight = $pscale_int end

! 9-16
!--------------------------------------------------------------------
group
selection=     ((resid 9 and name N1) or (resid 9 and name N3) or
                (resid 9 and name C5) or (resid 16 and name N1) or
               (resid 16 and name N3) or (resid 16 and name C5))
weight = $pscale_int end

! 10-15
!--------------------------------------------------------------------
group
selection=     ((resid 10 and name N1) or (resid 10 and name N3) or
                (resid 10 and name C5) or (resid 15 and name N1) or
                (resid 15 and name N3) or (resid 15 and name C5))
weight = $pscale_int end

! 11-14
!--------------------------------------------------------------------
group
selection=     ((resid 11 and name N1) or (resid 11 and name N3) or
                (resid 11 and name C5) or (resid 14 and name N1) or
                (resid 14 and name N3) or (resid 14 and name C5))
weight = $pscale_int end

! 12-13
!--------------------------------------------------------------------
group
selection=     ((resid 12 and name N1) or (resid 12 and name N3) or
                (resid 12 and name C5) or (resid 13 and name N1) or
                (resid 13 and name N3) or (resid 13 and name C5))
weight = $pscale_ter end

cdih_ag.tbl0100644000076500001440000004343510130225004012142 0ustar  shbaeusersset echo=off message=off end
! C1 alpha is unconstrained

! C1 beta is unconstrained

! C1 gamma
assign (resid   1 and name O5') (resid   1 and name C5')
       (resid   1 and name C4') (resid   1 and name C3')
       1 60 30 2

! C1 delta
assign (resid   1 and name C5') (resid   1 and name C4')
       (resid   1 and name C3') (resid   1 and name O3')
       1 140 35 2

! C1 eps
assign (resid   1 and name C4') (resid   1 and name C3')
       (resid   1 and name O3') (resid   2 and name P  )
       1 230 70 2

! C1 zeta is unconstrained

! C1 chi
assign (resid   1 and name O4') (resid   1 and name C1')
       (resid   1 and name N1 ) (resid   1 and name C2 )
       1 220 45 2

! A2 alpha is unconstrained

! A2 beta
assign (resid   2 and name P  ) (resid   2 and name O5')
       (resid   2 and name C5') (resid   2 and name C4')
       1 180 45 2

! A2 gamma
assign (resid   2 and name O5') (resid   2 and name C5')
       (resid   2 and name C4') (resid   2 and name C3')
       1 60 30 2

! A2 delta
assign (resid   2 and name C5') (resid   2 and name C4')
       (resid   2 and name C3') (resid   2 and name O3')
       1 140 35 2

! A2 eps
assign (resid   2 and name C4') (resid   2 and name C3')
       (resid   2 and name O3') (resid   3 and name P  )
       1 230 70 2

! A2 zeta is unconstrained

! A2 CHI
assign (resid   2 and name O4') (resid   2 and name C1')
       (resid   2 and name N9 ) (resid   2 and name C4 )
       1 220 45 2

! A3 alpha is unconstrained

! A3 beta
assign (resid   3 and name P  ) (resid   3 and name O5')
       (resid   3 and name C5') (resid   3 and name C4')
       1 180 45 2

! A3 gamma
assign (resid   3 and name O5') (resid   3 and name C5')
       (resid   3 and name C4') (resid   3 and name C3')
       1 60 30 2

! A3 delta
assign (resid   3 and name C5') (resid   3 and name C4')
       (resid   3 and name C3') (resid   3 and name O3')
       1 140 35 2

! A3 eps
assign (resid   3 and name C4') (resid   3 and name C3')
       (resid   3 and name O3') (resid   4 and name P  )
       1 230 70 2

! A3 zeta is unconstrained

! A3 CHI
assign (resid   3 and name O4') (resid   3 and name C1')
       (resid   3 and name N9 ) (resid   3 and name C4 )
       1 220 45 2

! C4 alpha is unconstrained

! C4 beta
assign (resid   4 and name P  ) (resid   4 and name O5')
       (resid   4 and name C5') (resid   4 and name C4')
       1 180 45 2

! C4 gamma
assign (resid   4 and name O5') (resid   4 and name C5')
       (resid   4 and name C4') (resid   4 and name C3')
       1 60 30 2

! C4 delta
assign (resid   4 and name C5') (resid   4 and name C4')
       (resid   4 and name C3') (resid   4 and name O3')
       1 140 35 2

! C4 eps
assign (resid   4 and name C4') (resid   4 and name C3')
       (resid   4 and name O3') (resid   5 and name P  )
       1 230 70 2

! C4 zeta is unconstrained

! C4 chi
assign (resid   4 and name O4') (resid   4 and name C1')
       (resid   4 and name N1 ) (resid   4 and name C2 )
       1 220 45 2

! C5 alpha is unconstrained

! C5 beta
assign (resid   5 and name P  ) (resid   5 and name O5')
       (resid   5 and name C5') (resid   5 and name C4')
       1 180 45 2

! C5 gamma
assign (resid   5 and name O5') (resid   5 and name C5')
       (resid   5 and name C4') (resid   5 and name C3')
       1 60 30 2

! C5 delta
assign (resid   5 and name C5') (resid   5 and name C4')
       (resid   5 and name C3') (resid   5 and name O3')
       1 140 35 2

! C5 eps
assign (resid   5 and name C4') (resid   5 and name C3')
       (resid   5 and name O3') (resid   6 and name P  )
       1 230 70 2

! C5 zeta is unconstrained

! C5 chi
assign (resid   5 and name O4') (resid   5 and name C1')
       (resid   5 and name N1 ) (resid   5 and name C2 )
       1 220 45 2

! A6 alpha is unconstrained

! A6 beta
assign (resid   6 and name P  ) (resid   6 and name O5')
       (resid   6 and name C5') (resid   6 and name C4')
       1 180 45 2

! A6 gamma
assign (resid   6 and name O5') (resid   6 and name C5')
       (resid   6 and name C4') (resid   6 and name C3')
       1 60 30 2

! A6 delta
assign (resid   6 and name C5') (resid   6 and name C4')
       (resid   6 and name C3') (resid   6 and name O3')
       1 140 35 2

! A6 eps
assign (resid   6 and name C4') (resid   6 and name C3')
       (resid   6 and name O3') (resid   7 and name P  )
       1 230 70 2

! A6 zeta is unconstrained

! A6 CHI
assign (resid   6 and name O4') (resid   6 and name C1')
       (resid   6 and name N9 ) (resid   6 and name C4 )
       1 220 45 2

! G7 alpha is unconstrained

! G7 beta
assign (resid   7 and name P  ) (resid   7 and name O5')
       (resid   7 and name C5') (resid   7 and name C4')
       1 180 45 2

! G7 gamma
assign (resid   7 and name O5') (resid   7 and name C5')
       (resid   7 and name C4') (resid   7 and name C3')
       1 60 30 2

! G7 delta
assign (resid   7 and name C5') (resid   7 and name C4')
       (resid   7 and name C3') (resid   7 and name O3')
       1 140 35 2

! G7 eps
assign (resid   7 and name C4') (resid   7 and name C3')
       (resid   7 and name O3') (resid   8 and name P  )
       1 230 70 2

! G7 zeta is unconstrained

! G7 CHI
assign (resid   7 and name O4') (resid   7 and name C1')
       (resid   7 and name N9 ) (resid   7 and name C4 )
       1 220 45 2

! G8 alpha is unconstrained

! G8 beta
assign (resid   8 and name P  ) (resid   8 and name O5')
       (resid   8 and name C5') (resid   8 and name C4')
       1 180 45 2

! G8 gamma
assign (resid   8 and name O5') (resid   8 and name C5')
       (resid   8 and name C4') (resid   8 and name C3')
       1 60 30 2

! G8 delta
assign (resid   8 and name C5') (resid   8 and name C4')
       (resid   8 and name C3') (resid   8 and name O3')
       1 140 35 2

! G8 eps
assign (resid   8 and name C4') (resid   8 and name C3')
       (resid   8 and name O3') (resid   9 and name P  )
       1 230 70 2

! G8 zeta is unconstrained

! G8 CHI
assign (resid   8 and name O4') (resid   8 and name C1')
       (resid   8 and name N9 ) (resid   8 and name C4 )
       1 220 45 2

! G9 alpha is unconstrained

! G9 beta
assign (resid   9 and name P  ) (resid   9 and name O5')
       (resid   9 and name C5') (resid   9 and name C4')
       1 180 45 2

! G9 gamma
assign (resid   9 and name O5') (resid   9 and name C5')
       (resid   9 and name C4') (resid   9 and name C3')
       1 60 30 2

! G9 delta
assign (resid   9 and name C5') (resid   9 and name C4')
       (resid   9 and name C3') (resid   9 and name O3')
       1 140 35 2

! G9 eps
assign (resid   9 and name C4') (resid   9 and name C3')
       (resid   9 and name O3') (resid  10 and name P  )
       1 230 70 2

! G9 zeta is unconstrained

! G9 CHI
assign (resid   9 and name O4') (resid   9 and name C1')
       (resid   9 and name N9 ) (resid   9 and name C4 )
       1 220 45 2

! T10 alpha is unconstrained

! T10 beta
assign (resid  10 and name P  ) (resid  10 and name O5')
       (resid  10 and name C5') (resid  10 and name C4')
       1 180 45 2

! T10 gamma
assign (resid  10 and name O5') (resid  10 and name C5')
       (resid  10 and name C4') (resid  10 and name C3')
       1 60 30 2

! T10 delta
assign (resid  10 and name C5') (resid  10 and name C4')
       (resid  10 and name C3') (resid  10 and name O3')
       1 140 35 2

! T10 eps
assign (resid  10 and name C4') (resid  10 and name C3')
       (resid  10 and name O3') (resid  11 and name P  )
       1 230 70 2

! T10 zeta is unconstrained

! T10 chi
assign (resid  10 and name O4') (resid  10 and name C1')
       (resid  10 and name N1 ) (resid  10 and name C2 )
       1 220 45 2

! T11 alpha is unconstrained

! T11 beta
assign (resid  11 and name P  ) (resid  11 and name O5')
       (resid  11 and name C5') (resid  11 and name C4')
       1 180 45 2

! T11 gamma
assign (resid  11 and name O5') (resid  11 and name C5')
       (resid  11 and name C4') (resid  11 and name C3')
       1 60 30 2

! T11 delta
assign (resid  11 and name C5') (resid  11 and name C4')
       (resid  11 and name C3') (resid  11 and name O3')
       1 140 35 2

! T11 eps
assign (resid  11 and name C4') (resid  11 and name C3')
       (resid  11 and name O3') (resid  12 and name P  )
       1 230 70 2

! T11 zeta is unconstrained

! T11 chi
assign (resid  11 and name O4') (resid  11 and name C1')
       (resid  11 and name N1 ) (resid  11 and name C2 )
       1 220 45 2

! G12 alpha is unconstrained

! G12 beta
assign (resid  12 and name P  ) (resid  12 and name O5')
       (resid  12 and name C5') (resid  12 and name C4')
       1 180 45 2

! G12 gamma
assign (resid  12 and name O5') (resid  12 and name C5')
       (resid  12 and name C4') (resid  12 and name C3')
       1 60 30 2

! G12 delta
assign (resid  12 and name C5') (resid  12 and name C4')
       (resid  12 and name C3') (resid  12 and name O3')
       1 140 35 2

! G12 eps is unconstrained

! G12 zeta is unconstrained

! G12 CHI
assign (resid  12 and name O4') (resid  12 and name C1')
       (resid  12 and name N9 ) (resid  12 and name C4 )
       1 220 45 2

! C13 alpha is unconstrained

! C13 beta is unconstrained

! C13 gamma
assign (resid  13 and name O5') (resid  13 and name C5')
       (resid  13 and name C4') (resid  13 and name C3')
       1 60 30 2

! C13 delta
assign (resid  13 and name C5') (resid  13 and name C4')
       (resid  13 and name C3') (resid  13 and name O3')
       1 140 35 2

! C13 eps
assign (resid  13 and name C4') (resid  13 and name C3')
       (resid  13 and name O3') (resid  14 and name P  )
       1 230 70 2

! C13 zeta is unconstrained

! C13 chi
assign (resid  13 and name O4') (resid  13 and name C1')
       (resid  13 and name N1 ) (resid  13 and name C2 )
       1 220 45 2

! A14 alpha is unconstrained

! A14 beta
assign (resid  14 and name P  ) (resid  14 and name O5')
       (resid  14 and name C5') (resid  14 and name C4')
       1 180 45 2

! A14 gamma
assign (resid  14 and name O5') (resid  14 and name C5')
       (resid  14 and name C4') (resid  14 and name C3')
       1 60 30 2

! A14 delta
assign (resid  14 and name C5') (resid  14 and name C4')
       (resid  14 and name C3') (resid  14 and name O3')
       1 140 35 2

! A14 eps
assign (resid  14 and name C4') (resid  14 and name C3')
       (resid  14 and name O3') (resid  15 and name P  )
       1 230 70 2

! A14 zeta is unconstrained

! A14 CHI
assign (resid  14 and name O4') (resid  14 and name C1')
       (resid  14 and name N9 ) (resid  14 and name C4 )
       1 220 45 2

! A15 alpha is unconstrained

! A15 beta
assign (resid  15 and name P  ) (resid  15 and name O5')
       (resid  15 and name C5') (resid  15 and name C4')
       1 180 45 2

! A15 gamma
assign (resid  15 and name O5') (resid  15 and name C5')
       (resid  15 and name C4') (resid  15 and name C3')
       1 60 30 2

! A15 delta
assign (resid  15 and name C5') (resid  15 and name C4')
       (resid  15 and name C3') (resid  15 and name O3')
       1 140 35 2

! A15 eps
assign (resid  15 and name C4') (resid  15 and name C3')
       (resid  15 and name O3') (resid  16 and name P  )
       1 230 70 2

! A15 zeta is unconstrained

! A15 CHI
assign (resid  15 and name O4') (resid  15 and name C1')
       (resid  15 and name N9 ) (resid  15 and name C4 )
       1 220 45 2

! C16 alpha is unconstrained

! C16 beta
assign (resid  16 and name P  ) (resid  16 and name O5')
       (resid  16 and name C5') (resid  16 and name C4')
       1 180 45 2

! C16 gamma
assign (resid  16 and name O5') (resid  16 and name C5')
       (resid  16 and name C4') (resid  16 and name C3')
       1 60 30 2

! C16 delta
assign (resid  16 and name C5') (resid  16 and name C4')
       (resid  16 and name C3') (resid  16 and name O3')
       1 140 35 2

! C16 eps
assign (resid  16 and name C4') (resid  16 and name C3')
       (resid  16 and name O3') (resid  17 and name P  )
       1 230 70 2

! C16 zeta is unconstrained

! C16 chi
assign (resid  16 and name O4') (resid  16 and name C1')
       (resid  16 and name N1 ) (resid  16 and name C2 )
       1 220 45 2

! C17 alpha is unconstrained

! C17 beta
assign (resid  17 and name P  ) (resid  17 and name O5')
       (resid  17 and name C5') (resid  17 and name C4')
       1 180 45 2

! C17 gamma
assign (resid  17 and name O5') (resid  17 and name C5')
       (resid  17 and name C4') (resid  17 and name C3')
       1 60 30 2

! C17 delta
assign (resid  17 and name C5') (resid  17 and name C4')
       (resid  17 and name C3') (resid  17 and name O3')
       1 140 35 2

! C17 eps
assign (resid  17 and name C4') (resid  17 and name C3')
       (resid  17 and name O3') (resid  18 and name P  )
       1 230 70 2

! C17 zeta is unconstrained

! C17 chi
assign (resid  17 and name O4') (resid  17 and name C1')
       (resid  17 and name N1 ) (resid  17 and name C2 )
       1 220 45 2

! C18 alpha is unconstrained

! C18 beta
assign (resid  18 and name P  ) (resid  18 and name O5')
       (resid  18 and name C5') (resid  18 and name C4')
       1 180 45 2

! C18 gamma
assign (resid  18 and name O5') (resid  18 and name C5')
       (resid  18 and name C4') (resid  18 and name C3')
       1 60 30 2

! C18 delta
assign (resid  18 and name C5') (resid  18 and name C4')
       (resid  18 and name C3') (resid  18 and name O3')
       1 140 35 2

! C18 eps
assign (resid  18 and name C4') (resid  18 and name C3')
       (resid  18 and name O3') (resid  19 and name P  )
       1 230 70 2

! C18 zeta is unconstrained

! C18 chi
assign (resid  18 and name O4') (resid  18 and name C1')
       (resid  18 and name N1 ) (resid  18 and name C2 )
       1 220 45 2

! T19 alpha is unconstrained

! T19 beta
assign (resid  19 and name P  ) (resid  19 and name O5')
       (resid  19 and name C5') (resid  19 and name C4')
       1 180 45 2

! T19 gamma
assign (resid  19 and name O5') (resid  19 and name C5')
       (resid  19 and name C4') (resid  19 and name C3')
       1 60 30 2

! T19 delta
assign (resid  19 and name C5') (resid  19 and name C4')
       (resid  19 and name C3') (resid  19 and name O3')
       1 140 35 2

! T19 eps
assign (resid  19 and name C4') (resid  19 and name C3')
       (resid  19 and name O3') (resid  20 and name P  )
       1 230 70 2

! T19 zeta is unconstrained

! T19 chi
assign (resid  19 and name O4') (resid  19 and name C1')
       (resid  19 and name N1 ) (resid  19 and name C2 )
       1 220 45 2

! G20 alpha is unconstrained

! G20 beta
assign (resid  20 and name P  ) (resid  20 and name O5')
       (resid  20 and name C5') (resid  20 and name C4')
       1 180 45 2

! G20 gamma
assign (resid  20 and name O5') (resid  20 and name C5')
       (resid  20 and name C4') (resid  20 and name C3')
       1 60 30 2

! G20 delta
assign (resid  20 and name C5') (resid  20 and name C4')
       (resid  20 and name C3') (resid  20 and name O3')
       1 140 35 2

! G20 eps
assign (resid  20 and name C4') (resid  20 and name C3')
       (resid  20 and name O3') (resid  21 and name P  )
       1 230 70 2

! G20 zeta is unconstrained

! G20 CHI
assign (resid  20 and name O4') (resid  20 and name C1')
       (resid  20 and name N9 ) (resid  20 and name C4 )
       1 220 45 2

! G21 alpha is unconstrained

! G21 beta
assign (resid  21 and name P  ) (resid  21 and name O5')
       (resid  21 and name C5') (resid  21 and name C4')
       1 180 45 2

! G21 gamma
assign (resid  21 and name O5') (resid  21 and name C5')
       (resid  21 and name C4') (resid  21 and name C3')
       1 60 30 2

! G21 delta
assign (resid  21 and name C5') (resid  21 and name C4')
       (resid  21 and name C3') (resid  21 and name O3')
       1 140 35 2

! G21 eps
assign (resid  21 and name C4') (resid  21 and name C3')
       (resid  21 and name O3') (resid  22 and name P  )
       1 230 70 2

! G21 zeta is unconstrained

! G21 CHI
assign (resid  21 and name O4') (resid  21 and name C1')
       (resid  21 and name N9 ) (resid  21 and name C4 )
       1 220 45 2

! T22 alpha is unconstrained

! T22 beta
assign (resid  22 and name P  ) (resid  22 and name O5')
       (resid  22 and name C5') (resid  22 and name C4')
       1 180 45 2

! T22 gamma
assign (resid  22 and name O5') (resid  22 and name C5')
       (resid  22 and name C4') (resid  22 and name C3')
       1 60 30 2

! T22 delta
assign (resid  22 and name C5') (resid  22 and name C4')
       (resid  22 and name C3') (resid  22 and name O3')
       1 140 35 2

! T22 eps
assign (resid  22 and name C4') (resid  22 and name C3')
       (resid  22 and name O3') (resid  23 and name P  )
       1 230 70 2

! T22 zeta is unconstrained

! T22 chi
assign (resid  22 and name O4') (resid  22 and name C1')
       (resid  22 and name N1 ) (resid  22 and name C2 )
       1 220 45 2

! T23 alpha is unconstrained

! T23 beta
assign (resid  23 and name P  ) (resid  23 and name O5')
       (resid  23 and name C5') (resid  23 and name C4')
       1 180 45 2

! T23 gamma
assign (resid  23 and name O5') (resid  23 and name C5')
       (resid  23 and name C4') (resid  23 and name C3')
       1 60 30 2

! T23 delta
assign (resid  23 and name C5') (resid  23 and name C4')
       (resid  23 and name C3') (resid  23 and name O3')
       1 140 35 2

! T23 eps
assign (resid  23 and name C4') (resid  23 and name C3')
       (resid  23 and name O3') (resid  24 and name P  )
       1 230 70 2

! T23 zeta is unconstrained

! T23 chi
assign (resid  23 and name O4') (resid  23 and name C1')
       (resid  23 and name N1 ) (resid  23 and name C2 )
       1 220 45 2

! G24 alpha is unconstrained

! G24 beta
assign (resid  24 and name P  ) (resid  24 and name O5')
       (resid  24 and name C5') (resid  24 and name C4')
       1 180 45 2

! G24 gamma
assign (resid  24 and name O5') (resid  24 and name C5')
       (resid  24 and name C4') (resid  24 and name C3')
       1 60 30 2

! G24 delta
assign (resid  24 and name C5') (resid  24 and name C4')
       (resid  24 and name C3') (resid  24 and name O3')
       1 140 35 2

! G24 eps is unconstrained

! G24 zeta is unconstrained

! G24 CHI
assign (resid  24 and name O4') (resid  24 and name C1')
       (resid  24 and name N9 ) (resid  24 and name C4 )
       1 220 45 2

set echo=on message=on end



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    C   1          1H5*        C   1   6.949 -23.558  -2.429
    2   2H5*    C   1          2H5*        C   1   8.270 -23.496  -3.626
    3    H4*    C   1           H4*        C   1   6.586 -22.935  -5.080
    4    H3*    C   1           H3*        C   1   7.554 -20.591  -3.704
    5    H1*    C   1           H1*        C   1   3.595 -21.305  -4.066
    6   1H4     C   1          1H4         C   1   1.810 -20.578   1.970
    7   2H4     C   1          2H4         C   1   3.467 -20.611   2.531
    8    H5     C   1           H5         C   1   5.354 -20.885   1.059
    9    H6     C   1           H6         C   1   6.061 -21.186  -1.269
   10    H5T    C   1           H5T        C   1   9.027 -22.092  -2.259
   11   1H2*    C   1          1H2*        C   1   5.668 -19.612  -2.979
   12   2H2*    C   1          2H2*        C   1   5.001 -19.705  -4.717
   13   1H5*    A   2          1H5*        A   2   4.625 -20.330  -7.868
   14   2H5*    A   2          2H5*        A   2   5.307 -18.837  -8.543
   15    H4*    A   2           H4*        A   2   2.785 -19.040  -8.784
   16    H3*    A   2           H3*        A   2   4.463 -16.859  -7.914
   17    H1*    A   2           H1*        A   2   1.034 -17.750  -5.975
   18    H8     A   2           H8         A   2   4.767 -18.159  -4.852
   19   1H6     A   2          1H6         A   2   2.496 -17.703   0.881
   20   2H6     A   2          2H6         A   2   3.937 -17.928  -0.086
   21    H2     A   2           H2         A   2  -0.915 -17.296  -2.001
   22   1H2*    A   2          1H2*        A   2   3.401 -16.100  -6.087
   23   2H2*    A   2          2H2*        A   2   1.833 -15.995  -7.090
   24   1H5*    A   3          1H5*        A   3  -0.427 -16.840  -9.107
   25   2H5*    A   3          2H5*        A   3  -0.481 -15.276  -9.946
   26    H4*    A   3           H4*        A   3  -2.552 -15.804  -8.566
   27    H3*    A   3           H3*        A   3  -0.943 -13.418  -8.793
   28    H1*    A   3           H1*        A   3  -2.256 -14.711  -5.198
   29    H8     A   3           H8         A   3   1.360 -14.891  -6.676
   30   1H6     A   3          1H6         A   3   3.195 -14.162  -0.817
   31   2H6     A   3          2H6         A   3   3.712 -14.420  -2.468
   32    H2     A   3           H2         A   3  -1.283 -13.948  -0.907
   33   1H2*    A   3          1H2*        A   3  -0.678 -12.781  -6.655
   34   2H2*    A   3          2H2*        A   3  -2.527 -12.881  -6.438
   35   1H5*    C   4          1H5*        C   4  -4.721 -13.582  -6.018
   36   2H5*    C   4          2H5*        C   4  -5.773 -12.516  -6.970
   37    H4*    C   4           H4*        C   4  -6.403 -12.128  -4.697
   38    H3*    C   4           H3*        C   4  -5.022 -10.141  -6.270
   39    H1*    C   4           H1*        C   4  -4.029 -10.796  -2.409
   40   1H4     C   4          1H4         C   4   2.237 -11.521  -3.010
   41   2H4     C   4          2H4         C   4   2.130 -11.549  -4.756
   42    H5     C   4           H5         C   4   0.047 -11.378  -5.953
   43    H6     C   4           H6         C   4  -2.384 -11.143  -5.736
   44   1H2*    C   4          1H2*        C   4  -3.462  -9.365  -4.852
   45   2H2*    C   4          2H2*        C   4  -4.807  -9.077  -3.593
   46   1H5*    C   5          1H5*        C   5  -7.441  -9.326  -1.935
   47   2H5*    C   5          2H5*        C   5  -8.316  -7.888  -2.502
   48    H4*    C   5           H4*        C   5  -7.726  -7.794  -0.052
   49    H3*    C   5           H3*        C   5  -7.352  -5.854  -2.153
   50    H1*    C   5           H1*        C   5  -4.441  -6.555   0.560
   51   1H4     C   5          1H4         C   5   0.456  -7.468  -3.356
   52   2H4     C   5          2H4         C   5  -0.597  -7.578  -4.749
   53    H5     C   5           H5         C   5  -2.995  -7.397  -4.610
   54    H6     C   5           H6         C   5  -4.902  -7.070  -3.105
   55   1H2*    C   5          1H2*        C   5  -5.249  -5.140  -1.821
   56   2H2*    C   5          2H2*        C   5  -5.685  -4.808  -0.039
   57   1H5*    A   6          1H5*        A   6  -6.755  -5.107   2.512
   58   2H5*    A   6          2H5*        A   6  -8.162  -4.035   2.657
   59    H4*    A   6           H4*        A   6  -6.597  -3.587   4.499
   60    H3*    A   6           H3*        A   6  -7.519  -1.709   2.513
   61    H1*    A   6           H1*        A   6  -3.651  -1.768   3.678
   62    H8     A   6           H8         A   6  -5.377  -2.453   0.227
   63   1H6     A   6          1H6         A   6   0.320  -1.854  -2.098
   64   2H6     A   6          2H6         A   6  -1.366  -2.134  -2.469
   65    H2     A   6           H2         A   6   0.580  -1.383   2.354
   66   1H2*    A   6          1H2*        A   6  -5.641  -0.625   1.927
   67   2H2*    A   6          2H2*        A   6  -5.318  -0.292   3.733
   68   1H5*    G   7          1H5*        G   7  -4.652  -1.100   5.994
   69   2H5*    G   7          2H5*        G   7  -5.743  -0.222   7.084
   70    H4*    G   7           H4*        G   7  -3.603   0.455   7.824
   71    H3*    G   7           H3*        G   7  -5.256   2.278   6.315
   72    H1*    G   7           H1*        G   7  -1.293   1.978   5.592
   73    H8     G   7           H8         G   7  -4.451   1.301   3.379
   74    H1     G   7           H1         G   7   1.165   1.514   0.288
   75   1H2     G   7          1H2         G   7   2.809   1.828   1.717
   76   2H2     G   7          2H2         G   7   2.542   1.988   3.438
   77   1H2*    G   7          1H2*        G   7  -3.812   3.175   4.848
   78   2H2*    G   7          2H2*        G   7  -2.679   3.583   6.271
   79   1H5*    G   8          1H5*        G   8  -0.940   2.828   8.462
   80   2H5*    G   8          2H5*        G   8  -1.354   4.197   9.513
   81    H4*    G   8           H4*        G   8   1.040   4.262   8.821
   82    H3*    G   8           H3*        G   8  -0.979   6.310   8.582
   83    H1*    G   8           H1*        G   8   1.625   5.598   5.577
   84    H8     G   8           H8         G   8  -2.225   4.914   5.819
   85    H1     G   8           H1         G   8   0.120   5.798  -0.084
   86   1H2     G   8          1H2         G   8   2.278   6.214   0.008
   87   2H2     G   8          2H2         G   8   3.161   6.279   1.517
   88   1H2*    G   8          1H2*        G   8  -0.667   7.091   6.500
   89   2H2*    G   8          2H2*        G   8   1.139   7.323   6.900
   90   1H5*    G   9          1H5*        G   9   3.958   7.440   7.790
   91   2H5*    G   9          2H5*        G   9   3.883   8.646   9.091
   92    H4*    G   9           H4*        G   9   5.343   9.569   7.416
   93    H3*    G   9           H3*        G   9   2.762  10.687   8.061
   94    H1*    G   9           H1*        G   9   3.999  10.399   4.225
   95    H8     G   9           H8         G   9   1.244   8.377   6.135
   96    H1     G   9           H1         G   9   0.331   9.123  -0.169
   97   1H2     G   9          1H2         G   9   1.943  10.345  -1.032
   98   2H2     G   9          2H2         G   9   3.256  10.988  -0.071
   99   1H2*    G   9          1H2*        G   9   1.881  11.131   6.043
  100   2H2*    G   9          2H2*        G   9   3.441  12.054   5.608
  101   1H5*    T  10          1H5*        T  10   6.226  12.335   5.056
  102   2H5*    T  10          2H5*        T  10   6.531  13.808   5.999
  103    H4*    T  10           H4*        T  10   7.057  14.198   3.618
  104    H3*    T  10           H3*        T  10   5.200  15.658   5.274
  105   1H2*    T  10          1H2*        T  10   3.402  15.887   3.948
  106   2H2*    T  10          2H2*        T  10   4.517  16.572   2.621
  107    H1*    T  10           H1*        T  10   4.254  14.684   1.468
  108    H3     T  10           H3         T  10   0.337  12.561   1.117
  109   1H5M    T  10          1H5M        T  10  -0.451  13.390   5.723
  110   2H5M    T  10          2H5M        T  10   1.189  13.698   6.343
  111   3H5M    T  10          3H5M        T  10   0.660  12.031   6.011
  112    H6     T  10           H6         T  10   2.910  14.086   4.879
  113   1H5*    T  11          1H5*        T  11   7.157  16.742   0.743
  114   2H5*    T  11          2H5*        T  11   7.427  18.471   1.044
  115    H4*    T  11           H4*        T  11   6.780  17.841  -1.361
  116    H3*    T  11           H3*        T  11   5.991  19.988   0.398
  117   1H2*    T  11          1H2*        T  11   3.757  20.036   0.172
  118   2H2*    T  11          2H2*        T  11   3.985  20.113  -1.676
  119    H1*    T  11           H1*        T  11   3.255  18.013  -1.824
  120    H3     T  11           H3         T  11  -0.256  16.625   0.550
  121   1H5M    T  11          1H5M        T  11   3.554  18.178   4.051
  122   2H5M    T  11          2H5M        T  11   2.088  17.318   4.581
  123   3H5M    T  11          3H5M        T  11   2.023  19.064   4.242
  124    H6     T  11           H6         T  11   3.977  18.530   1.793
  125   1H5*    G  12          1H5*        G  12   4.704  20.505  -4.338
  126   2H5*    G  12          2H5*        G  12   5.573  22.036  -4.567
  127    H4*    G  12           H4*        G  12   3.512  22.156  -5.850
  128    H3*    G  12           H3*        G  12   4.182  23.845  -3.607
  129    H1*    G  12           H1*        G  12   0.450  22.404  -4.054
  130    H8     G  12           H8         G  12   3.069  22.282  -1.170
  131    H1     G  12           H1         G  12  -2.550  19.444   0.052
  132   1H2     G  12          1H2         G  12  -3.823  19.471  -1.742
  133   2H2     G  12          2H2         G  12  -3.306  20.185  -3.253
  134    H3T    G  12           H3T        G  12   2.434  24.680  -5.636
  135   1H2*    G  12          1H2*        G  12   2.280  23.958  -2.456
  136   2H2*    G  12          2H2*        G  12   1.382  24.425  -4.020
  137   1H5*    C  13          1H5*        C  13 -10.152  20.613   2.089
  138   2H5*    C  13          2H5*        C  13 -11.738  19.905   1.684
  139    H4*    C  13           H4*        C  13 -10.871  19.854  -0.443
  140    H3*    C  13           H3*        C  13 -10.114  17.492   1.035
  141    H1*    C  13           H1*        C  13  -7.401  19.552  -1.135
  142   1H4     C  13          1H4         C  13  -2.801  20.059   3.192
  143   2H4     C  13          2H4         C  13  -3.919  19.772   4.507
  144    H5     C  13           H5         C  13  -6.268  19.357   4.176
  145    H6     C  13           H6         C  13  -8.054  19.126   2.512
  146    H5T    C  13           H5T        C  13 -11.207  18.375   2.982
  147   1H2*    C  13          1H2*        C  13  -7.904  17.351   0.664
  148   2H2*    C  13          2H2*        C  13  -8.241  17.489  -1.164
  149   1H5*    A  14          1H5*        A  14  -9.052  17.287  -3.726
  150   2H5*    A  14          2H5*        A  14  -9.948  15.797  -4.082
  151    H4*    A  14           H4*        A  14  -7.848  15.770  -5.337
  152    H3*    A  14           H3*        A  14  -8.667  13.847  -3.345
  153    H1*    A  14           H1*        A  14  -4.861  15.193  -3.491
  154    H8     A  14           H8         A  14  -7.670  15.484  -0.773
  155   1H6     A  14          1H6         A  14  -3.053  17.098   3.009
  156   2H6     A  14          2H6         A  14  -4.771  16.798   2.878
  157    H2     A  14           H2         A  14  -1.328  16.407  -1.073
  158   1H2*    A  14          1H2*        A  14  -6.800  13.542  -2.136
  159   2H2*    A  14          2H2*        A  14  -5.871  13.221  -3.720
  160   1H5*    A  15          1H5*        A  15  -5.171  16.126  -6.477
  161   2H5*    A  15          2H5*        A  15  -5.441  15.413  -8.080
  162    H4*    A  15           H4*        A  15  -3.088  15.543  -7.972
  163    H3*    A  15           H3*        A  15  -4.393  12.988  -7.660
  164    H1*    A  15           H1*        A  15  -1.297  14.034  -5.284
  165    H8     A  15           H8         A  15  -5.097  13.451  -4.507
  166   1H6     A  15          1H6         A  15  -3.187  12.592   1.310
  167   2H6     A  15          2H6         A  15  -4.568  12.633   0.237
  168    H2     A  15           H2         A  15   0.411  13.473  -1.217
  169   1H2*    A  15          1H2*        A  15  -3.316  12.073  -5.915
  170   2H2*    A  15          2H2*        A  15  -1.700  12.428  -6.774
  171   1H5*    C  16          1H5*        C  16   0.164  13.781  -7.348
  172   2H5*    C  16          2H5*        C  16   0.702  13.000  -8.849
  173    H4*    C  16           H4*        C  16   2.528  12.640  -7.396
  174    H3*    C  16           H3*        C  16   0.752  10.458  -8.039
  175    H1*    C  16           H1*        C  16   2.084  11.010  -4.265
  176   1H4     C  16          1H4         C  16  -3.428  10.777  -1.149
  177   2H4     C  16          2H4         C  16  -4.345  10.873  -2.635
  178    H5     C  16           H5         C  16  -3.323  11.048  -4.809
  179    H6     C  16           H6         C  16  -1.199  11.169  -6.028
  180   1H2*    C  16          1H2*        C  16   0.405   9.482  -6.047
  181   2H2*    C  16          2H2*        C  16   2.251   9.409  -5.804
  182   1H5*    C  17          1H5*        C  17   5.229  10.201  -6.141
  183   2H5*    C  17          2H5*        C  17   5.917   8.910  -7.147
  184    H4*    C  17           H4*        C  17   6.951   8.937  -4.886
  185    H3*    C  17           H3*        C  17   5.670   6.747  -6.257
  186    H1*    C  17           H1*        C  17   4.994   7.396  -2.325
  187   1H4     C  17          1H4         C  17  -1.341   7.283  -2.342
  188   2H4     C  17          2H4         C  17  -1.403   7.405  -4.086
  189    H5     C  17           H5         C  17   0.564   7.551  -5.469
  190    H6     C  17           H6         C  17   3.014   7.612  -5.480
  191   1H2*    C  17          1H2*        C  17   4.377   5.830  -4.666
  192   2H2*    C  17          2H2*        C  17   5.869   5.755  -3.551
  193   1H5*    C  18          1H5*        C  18   7.416   6.111  -2.119
  194   2H5*    C  18          2H5*        C  18   8.961   5.415  -2.646
  195    H4*    C  18           H4*        C  18   8.641   4.501  -0.477
  196    H3*    C  18           H3*        C  18   8.361   2.866  -2.837
  197    H1*    C  18           H1*        C  18   5.747   2.539   0.228
  198   1H4     C  18          1H4         C  18   0.298   3.313  -2.932
  199   2H4     C  18          2H4         C  18   1.139   3.368  -4.465
  200    H5     C  18           H5         C  18   3.539   3.274  -4.659
  201    H6     C  18           H6         C  18   5.650   3.107  -3.425
  202   1H2*    C  18          1H2*        C  18   6.490   1.692  -2.427
  203   2H2*    C  18          2H2*        C  18   7.209   1.195  -0.781
  204   1H5*    T  19          1H5*        T  19   8.652   1.395   1.916
  205   2H5*    T  19          2H5*        T  19   9.995   0.270   1.624
  206    H4*    T  19           H4*        T  19   8.635  -0.565   3.488
  207    H3*    T  19           H3*        T  19   9.169  -1.927   1.002
  208   1H2*    T  19          1H2*        T  19   7.161  -2.754   0.432
  209   2H2*    T  19          2H2*        T  19   7.033  -3.508   2.131
  210    H1*    T  19           H1*        T  19   5.483  -1.996   2.654
  211    H3     T  19           H3         T  19   2.279  -0.534  -0.118
  212   1H5M    T  19          1H5M        T  19   5.385   0.317  -3.503
  213   2H5M    T  19          2H5M        T  19   5.979  -1.360  -3.451
  214   3H5M    T  19          3H5M        T  19   6.947  -0.050  -2.734
  215    H6     T  19           H6         T  19   7.026  -1.116  -0.590
  216   1H5*    G  20          1H5*        G  20   7.148  -3.181   5.127
  217   2H5*    G  20          2H5*        G  20   8.191  -4.562   5.523
  218    H4*    G  20           H4*        G  20   5.952  -4.733   6.622
  219    H3*    G  20           H3*        G  20   7.339  -6.656   4.980
  220    H1*    G  20           H1*        G  20   3.374  -6.021   4.546
  221    H8     G  20           H8         G  20   6.326  -5.019   2.178
  222    H1     G  20           H1         G  20   0.691  -6.154  -0.666
  223   1H2     G  20          1H2         G  20  -0.803  -6.775   0.825
  224   2H2     G  20          2H2         G  20  -0.431  -6.916   2.528
  225   1H2*    G  20          1H2*        G  20   5.733  -7.391   3.592
  226   2H2*    G  20          2H2*        G  20   4.672  -7.750   5.081
  227   1H5*    G  21          1H5*        G  21   3.381  -7.410   8.063
  228   2H5*    G  21          2H5*        G  21   3.991  -8.934   8.738
  229    H4*    G  21           H4*        G  21   1.475  -8.850   8.580
  230    H3*    G  21           H3*        G  21   3.347 -10.873   7.725
  231    H1*    G  21           H1*        G  21   0.211  -9.821   5.409
  232    H8     G  21           H8         G  21   4.001  -8.993   4.923
  233    H1     G  21           H1         G  21   0.586  -9.772  -0.449
  234   1H2     G  21          1H2         G  21  -1.484 -10.335   0.040
  235   2H2     G  21          2H2         G  21  -2.045 -10.525   1.686
  236   1H2*    G  21          1H2*        G  21   2.602 -11.419   5.678
  237   2H2*    G  21          2H2*        G  21   0.908 -11.684   6.410
  238   1H5*    T  22          1H5*        T  22  -1.522 -10.929   7.896
  239   2H5*    T  22          2H5*        T  22  -1.739 -12.437   8.809
  240    H4*    T  22           H4*        T  22  -3.610 -11.992   7.183
  241    H3*    T  22           H3*        T  22  -2.020 -14.362   7.605
  242   1H2*    T  22          1H2*        T  22  -1.509 -15.011   5.517
  243   2H2*    T  22          2H2*        T  22  -3.321 -14.924   5.088
  244    H1*    T  22           H1*        T  22  -2.916 -13.102   3.872
  245    H3     T  22           H3         T  22   0.633 -13.135   1.178
  246   1H5M    T  22          1H5M        T  22   3.508 -13.993   4.795
  247   2H5M    T  22          2H5M        T  22   2.440 -13.838   6.211
  248   3H5M    T  22          3H5M        T  22   3.125 -12.383   5.448
  249    H6     T  22           H6         T  22   0.169 -13.308   5.958
  250   1H5*    T  23          1H5*        T  23  -5.496 -13.939   4.382
  251   2H5*    T  23          2H5*        T  23  -6.652 -14.920   5.305
  252    H4*    T  23           H4*        T  23  -7.225 -15.203   2.980
  253    H3*    T  23           H3*        T  23  -6.215 -17.326   4.653
  254   1H2*    T  23          1H2*        T  23  -4.702 -18.337   3.337
  255   2H2*    T  23          2H2*        T  23  -6.001 -18.463   2.006
  256    H1*    T  23           H1*        T  23  -4.924 -16.893   0.848
  257    H3     T  23           H3         T  23  -0.470 -16.645   0.514
  258   1H5M    T  23          1H5M        T  23  -0.486 -18.152   5.172
  259   2H5M    T  23          2H5M        T  23  -1.765 -17.064   5.764
  260   3H5M    T  23          3H5M        T  23  -0.186 -16.402   5.277
  261    H6     T  23           H6         T  23  -3.464 -17.031   4.254
  262   1H5*    G  24          1H5*        G  24  -8.254 -18.410   0.060
  263   2H5*    G  24          2H5*        G  24  -9.381 -19.561   0.804
  264    H4*    G  24           H4*        G  24  -8.619 -20.424  -1.374
  265    H3*    G  24           H3*        G  24  -8.339 -21.676   1.208
  266    H1*    G  24           H1*        G  24  -5.319 -21.769  -1.453
  267    H8     G  24           H8         G  24  -5.661 -20.379   2.185
  268    H1     G  24           H1         G  24   0.262 -20.381  -0.275
  269   1H2     G  24          1H2         G  24   0.222 -21.095  -2.356
  270   2H2     G  24          2H2         G  24  -1.256 -21.576  -3.158
  271    H3T    G  24           H3T        G  24  -8.389 -23.338  -0.973
  272   1H2*    G  24          1H2*        G  24  -6.256 -22.464   1.184
  273   2H2*    G  24          2H2*        G  24  -6.606 -23.284  -0.452
  Start of MODEL    2
    1   1H5*    C   1          1H5*        C   1   8.690 -21.993  -2.214
    2   2H5*    C   1          2H5*        C   1   9.937 -21.448  -3.366
    3    H4*    C   1           H4*        C   1   8.019 -21.414  -4.707
    4    H3*    C   1           H3*        C   1   8.799 -18.865  -3.563
    5    H1*    C   1           H1*        C   1   5.026 -20.125  -3.993
    6   1H4     C   1          1H4         C   1   2.167 -19.080   1.563
    7   2H4     C   1          2H4         C   1   3.698 -18.931   2.396
    8    H5     C   1           H5         C   1   5.829 -19.132   1.289
    9    H6     C   1           H6         C   1   6.951 -19.527  -0.854
   10    H5T    C   1           H5T        C   1  10.306 -19.997  -1.912
   11   1H2*    C   1          1H2*        C   1   6.831 -18.157  -2.732
   12   2H2*    C   1          2H2*        C   1   6.172 -18.257  -4.472
   13   1H5*    A   2          1H5*        A   2   6.201 -18.676  -7.832
   14   2H5*    A   2          2H5*        A   2   6.509 -17.035  -8.435
   15    H4*    A   2           H4*        A   2   4.044 -17.857  -8.417
   16    H3*    A   2           H3*        A   2   5.304 -15.285  -7.632
   17    H1*    A   2           H1*        A   2   2.081 -16.998  -6.021
   18    H8     A   2           H8         A   2   5.449 -15.987  -4.294
   19   1H6     A   2          1H6         A   2   2.070 -15.799   0.885
   20   2H6     A   2          2H6         A   2   3.668 -15.610   0.201
   21    H2     A   2           H2         A   2  -0.662 -16.850  -2.516
   22   1H2*    A   2          1H2*        A   2   3.836 -14.665  -6.050
   23   2H2*    A   2          2H2*        A   2   2.429 -15.123  -7.183
   24   1H5*    A   3          1H5*        A   3   0.964 -15.636  -9.458
   25   2H5*    A   3          2H5*        A   3   0.489 -14.097 -10.209
   26    H4*    A   3           H4*        A   3  -1.248 -15.211  -8.652
   27    H3*    A   3           H3*        A   3  -0.402 -12.452  -9.039
   28    H1*    A   3           H1*        A   3  -1.494 -14.158  -5.614
   29    H8     A   3           H8         A   3   2.225 -13.079  -6.178
   30   1H6     A   3          1H6         A   3   2.381 -12.436  -0.028
   31   2H6     A   3          2H6         A   3   3.307 -12.350  -1.510
   32    H2     A   3           H2         A   3  -1.792 -13.604  -1.194
   33   1H2*    A   3          1H2*        A   3  -0.114 -11.848  -6.886
   34   2H2*    A   3          2H2*        A   3  -1.930 -12.207  -6.664
   35   1H5*    C   4          1H5*        C   4  -4.946 -12.919  -6.817
   36   2H5*    C   4          2H5*        C   4  -5.624 -11.380  -7.391
   37    H4*    C   4           H4*        C   4  -5.841 -11.887  -4.859
   38    H3*    C   4           H3*        C   4  -5.074  -9.442  -6.344
   39    H1*    C   4           H1*        C   4  -4.131 -10.709  -2.738
   40   1H4     C   4          1H4         C   4   1.966  -9.429  -1.577
   41   2H4     C   4          2H4         C   4   2.345  -9.386  -3.284
   42    H5     C   4           H5         C   4   0.698  -9.713  -5.010
   43    H6     C   4           H6         C   4  -1.668 -10.151  -5.475
   44   1H2*    C   4          1H2*        C   4  -3.535  -8.697  -4.871
   45   2H2*    C   4          2H2*        C   4  -4.877  -8.733  -3.578
   46   1H5*    C   5          1H5*        C   5  -7.715  -9.032  -2.288
   47   2H5*    C   5          2H5*        C   5  -8.724  -7.601  -2.579
   48    H4*    C   5           H4*        C   5  -7.765  -7.771  -0.222
   49    H3*    C   5           H3*        C   5  -7.886  -5.533  -2.087
   50    H1*    C   5           H1*        C   5  -5.075  -6.333   0.578
   51   1H4     C   5          1H4         C   5   0.672  -5.723  -2.019
   52   2H4     C   5          2H4         C   5   0.021  -5.829  -3.640
   53    H5     C   5           H5         C   5  -2.327  -6.095  -4.105
   54    H6     C   5           H6         C   5  -4.559  -6.322  -3.118
   55   1H2*    C   5          1H2*        C   5  -5.743  -4.819  -1.911
   56   2H2*    C   5          2H2*        C   5  -6.149  -4.464  -0.126
   57   1H5*    A   6          1H5*        A   6  -7.895  -4.747   2.908
   58   2H5*    A   6          2H5*        A   6  -9.020  -3.373   2.893
   59    H4*    A   6           H4*        A   6  -7.191  -3.252   4.673
   60    H3*    A   6           H3*        A   6  -8.186  -1.260   2.786
   61    H1*    A   6           H1*        A   6  -4.341  -1.661   3.864
   62    H8     A   6           H8         A   6  -5.927  -1.639   0.291
   63   1H6     A   6          1H6         A   6  -0.069  -1.684  -1.701
   64   2H6     A   6          2H6         A   6  -1.753  -1.612  -2.176
   65    H2     A   6           H2         A   6  -0.013  -1.936   2.779
   66   1H2*    A   6          1H2*        A   6  -6.262  -0.317   2.113
   67   2H2*    A   6          2H2*        A   6  -5.849  -0.014   3.905
   68   1H5*    G   7          1H5*        G   7  -5.859  -0.798   6.098
   69   2H5*    G   7          2H5*        G   7  -6.448   0.088   7.521
   70    H4*    G   7           H4*        G   7  -4.111   0.231   7.782
   71    H3*    G   7           H3*        G   7  -5.505   2.584   6.688
   72    H1*    G   7           H1*        G   7  -1.829   1.346   5.720
   73    H8     G   7           H8         G   7  -4.926   1.950   3.399
   74    H1     G   7           H1         G   7   0.756   1.502   0.457
   75   1H2     G   7          1H2         G   7   2.351   1.136   1.930
   76   2H2     G   7          2H2         G   7   2.036   1.000   3.645
   77   1H2*    G   7          1H2*        G   7  -3.944   3.312   5.250
   78   2H2*    G   7          2H2*        G   7  -2.681   3.206   6.616
   79   1H5*    G   8          1H5*        G   8  -1.603   2.580   8.684
   80   2H5*    G   8          2H5*        G   8  -1.329   3.868   9.875
   81    H4*    G   8           H4*        G   8   0.736   3.341   8.563
   82    H3*    G   8           H3*        G   8  -0.471   5.881   9.104
   83    H1*    G   8           H1*        G   8   1.264   4.870   5.701
   84    H8     G   8           H8         G   8  -2.632   5.287   5.725
   85    H1     G   8           H1         G   8   0.234   5.826   0.011
   86   1H2     G   8          1H2         G   8   2.414   5.590   0.226
   87   2H2     G   8          2H2         G   8   3.181   5.299   1.770
   88   1H2*    G   8          1H2*        G   8  -0.861   6.569   6.959
   89   2H2*    G   8          2H2*        G   8   0.990   6.781   6.908
   90   1H5*    G   9          1H5*        G   9   4.916   6.714   8.075
   91   2H5*    G   9          2H5*        G   9   4.605   8.360   8.663
   92    H4*    G   9           H4*        G   9   5.917   7.933   6.364
   93    H3*    G   9           H3*        G   9   4.084  10.038   7.417
   94    H1*    G   9           H1*        G   9   4.584   8.730   3.703
   95    H8     G   9           H8         G   9   1.237   8.598   5.713
   96    H1     G   9           H1         G   9   0.671   9.200  -0.650
   97   1H2     G   9          1H2         G   9   2.659   9.382  -1.577
   98   2H2     G   9          2H2         G   9   4.139   9.358  -0.645
   99   1H2*    G   9          1H2*        G   9   3.189  10.648   5.447
  100   2H2*    G   9          2H2*        G   9   4.899  10.710   4.706
  101   1H5*    T  10          1H5*        T  10   7.737  11.245   4.089
  102   2H5*    T  10          2H5*        T  10   7.980  12.909   4.653
  103    H4*    T  10           H4*        T  10   7.782  12.561   2.096
  104    H3*    T  10           H3*        T  10   6.578  14.555   3.930
  105   1H2*    T  10          1H2*        T  10   4.636  14.851   2.839
  106   2H2*    T  10          2H2*        T  10   5.606  15.144   1.274
  107    H1*    T  10           H1*        T  10   5.152  13.071   0.534
  108    H3     T  10           H3         T  10   0.727  12.601   0.213
  109   1H5M    T  10          1H5M        T  10   1.983  12.770   5.472
  110   2H5M    T  10          2H5M        T  10   1.050  11.333   4.989
  111   3H5M    T  10          3H5M        T  10   0.303  12.947   4.915
  112    H6     T  10           H6         T  10   3.725  12.803   3.963
  113   1H5*    T  11          1H5*        T  11   7.900  15.673  -0.654
  114   2H5*    T  11          2H5*        T  11   8.232  17.415  -0.595
  115    H4*    T  11           H4*        T  11   6.906  16.598  -2.639
  116    H3*    T  11           H3*        T  11   6.494  18.877  -0.820
  117   1H2*    T  11          1H2*        T  11   4.249  18.896  -0.750
  118   2H2*    T  11          2H2*        T  11   4.229  18.877  -2.613
  119    H1*    T  11           H1*        T  11   3.660  16.714  -2.622
  120    H3     T  11           H3         T  11  -0.036  16.018  -0.228
  121   1H5M    T  11          1H5M        T  11   2.418  17.613   3.631
  122   2H5M    T  11          2H5M        T  11   4.044  17.022   3.208
  123   3H5M    T  11          3H5M        T  11   2.774  15.870   3.687
  124    H6     T  11           H6         T  11   4.482  17.109   0.989
  125   1H5*    G  12          1H5*        G  12   4.390  19.849  -5.788
  126   2H5*    G  12          2H5*        G  12   5.159  21.426  -5.524
  127    H4*    G  12           H4*        G  12   2.726  21.512  -6.312
  128    H3*    G  12           H3*        G  12   4.105  22.904  -4.118
  129    H1*    G  12           H1*        G  12   0.315  21.643  -4.001
  130    H8     G  12           H8         G  12   3.339  21.052  -1.587
  131    H1     G  12           H1         G  12  -2.376  19.014   0.499
  132   1H2     G  12          1H2         G  12  -3.916  19.358  -1.038
  133   2H2     G  12          2H2         G  12  -3.554  20.090  -2.585
  134    H3T    G  12           H3T        G  12   2.124  24.219  -5.496
  135   1H2*    G  12          1H2*        G  12   2.470  23.020  -2.614
  136   2H2*    G  12          2H2*        G  12   1.306  23.639  -3.931
  137   1H5*    C  13          1H5*        C  13  -9.559  19.238   4.596
  138   2H5*    C  13          2H5*        C  13 -11.093  18.416   4.210
  139    H4*    C  13           H4*        C  13 -10.411  19.162   2.097
  140    H3*    C  13           H3*        C  13  -9.716  16.395   2.738
  141    H1*    C  13           H1*        C  13  -7.514  18.963   0.616
  142   1H4     C  13          1H4         C  13  -1.590  18.283   2.763
  143   2H4     C  13          2H4         C  13  -2.150  17.620   4.282
  144    H5     C  13           H5         C  13  -4.478  17.273   4.792
  145    H6     C  13           H6         C  13  -6.773  17.490   3.959
  146    H5T    C  13           H5T        C  13  -9.972  17.006   5.436
  147   1H2*    C  13          1H2*        C  13  -7.609  16.334   1.956
  148   2H2*    C  13          2H2*        C  13  -8.285  16.880   0.306
  149   1H5*    A  14          1H5*        A  14 -10.334  17.376  -1.879
  150   2H5*    A  14          2H5*        A  14 -10.749  15.883  -2.744
  151    H4*    A  14           H4*        A  14  -8.824  17.321  -3.724
  152    H3*    A  14           H3*        A  14  -9.150  14.412  -3.327
  153    H1*    A  14           H1*        A  14  -5.857  16.615  -3.267
  154    H8     A  14           H8         A  14  -7.082  14.610  -0.134
  155   1H6     A  14          1H6         A  14  -1.113  14.601   1.491
  156   2H6     A  14          2H6         A  14  -2.732  14.130   1.954
  157    H2     A  14           H2         A  14  -1.462  16.636  -2.493
  158   1H2*    A  14          1H2*        A  14  -7.025  13.929  -2.764
  159   2H2*    A  14          2H2*        A  14  -6.491  14.743  -4.353
  160   1H5*    A  15          1H5*        A  15  -6.331  16.013  -7.074
  161   2H5*    A  15          2H5*        A  15  -6.353  14.630  -8.186
  162    H4*    A  15           H4*        A  15  -4.039  15.652  -7.651
  163    H3*    A  15           H3*        A  15  -4.988  12.912  -7.944
  164    H1*    A  15           H1*        A  15  -2.152  14.292  -5.576
  165    H8     A  15           H8         A  15  -5.388  12.821  -3.928
  166   1H6     A  15          1H6         A  15  -1.745  11.813   0.969
  167   2H6     A  15          2H6         A  15  -3.369  11.689   0.331
  168    H2     A  15           H2         A  15   0.777  13.579  -2.297
  169   1H2*    A  15          1H2*        A  15  -4.071  12.041  -6.062
  170   2H2*    A  15          2H2*        A  15  -2.431  12.427  -6.854
  171   1H5*    C  16          1H5*        C  16   0.178  13.514  -8.526
  172   2H5*    C  16          2H5*        C  16   0.317  12.089  -9.574
  173    H4*    C  16           H4*        C  16   1.995  12.277  -7.603
  174    H3*    C  16           H3*        C  16   0.389  10.007  -8.649
  175    H1*    C  16           H1*        C  16   1.888  10.794  -5.105
  176   1H4     C  16          1H4         C  16  -2.188   9.058  -0.574
  177   2H4     C  16          2H4         C  16  -3.550   9.183  -1.664
  178    H5     C  16           H5         C  16  -3.330   9.784  -3.987
  179    H6     C  16           H6         C  16  -1.757  10.397  -5.765
  180   1H2*    C  16          1H2*        C  16   0.035   9.015  -6.652
  181   2H2*    C  16          2H2*        C  16   1.886   8.952  -6.450
  182   1H5*    C  17          1H5*        C  17   4.994   9.484  -7.055
  183   2H5*    C  17          2H5*        C  17   5.576   7.946  -7.725
  184    H4*    C  17           H4*        C  17   6.067   8.458  -5.209
  185    H3*    C  17           H3*        C  17   5.150   5.986  -6.623
  186    H1*    C  17           H1*        C  17   4.671   7.253  -2.918
  187   1H4     C  17          1H4         C  17  -1.119   5.340  -1.171
  188   2H4     C  17          2H4         C  17  -1.688   5.368  -2.825
  189    H5     C  17           H5         C  17  -0.278   5.927  -4.697
  190    H6     C  17           H6         C  17   1.981   6.578  -5.389
  191   1H2*    C  17          1H2*        C  17   4.077   5.087  -4.861
  192   2H2*    C  17          2H2*        C  17   5.589   5.399  -3.817
  193   1H5*    C  18          1H5*        C  18   7.780   5.693  -2.715
  194   2H5*    C  18          2H5*        C  18   8.902   4.357  -3.040
  195    H4*    C  18           H4*        C  18   7.824   4.337  -0.720
  196    H3*    C  18           H3*        C  18   7.961   2.156  -2.767
  197    H1*    C  18           H1*        C  18   5.419   2.866   0.166
  198   1H4     C  18          1H4         C  18  -0.280   1.203  -2.052
  199   2H4     C  18          2H4         C  18   0.304   1.157  -3.700
  200    H5     C  18           H5         C  18   2.584   1.642  -4.306
  201    H6     C  18           H6         C  18   4.798   2.273  -3.466
  202   1H2*    C  18          1H2*        C  18   6.149   1.034  -2.044
  203   2H2*    C  18          2H2*        C  18   6.798   1.150  -0.300
  204   1H5*    T  19          1H5*        T  19   8.628   1.272   2.155
  205   2H5*    T  19          2H5*        T  19   9.640  -0.180   2.031
  206    H4*    T  19           H4*        T  19   7.768  -0.256   3.795
  207    H3*    T  19           H3*        T  19   8.591  -2.218   1.730
  208   1H2*    T  19          1H2*        T  19   6.570  -3.109   1.319
  209   2H2*    T  19          2H2*        T  19   6.347  -3.354   3.153
  210    H1*    T  19           H1*        T  19   4.992  -1.568   3.284
  211    H3     T  19           H3         T  19   1.450  -1.873   0.597
  212   1H5M    T  19          1H5M        T  19   5.793  -1.170  -2.534
  213   2H5M    T  19          2H5M        T  19   4.139  -1.073  -3.184
  214   3H5M    T  19          3H5M        T  19   4.899  -2.661  -2.917
  215    H6     T  19           H6         T  19   6.166  -1.510  -0.256
  216   1H5*    G  20          1H5*        G  20   6.806  -2.762   5.553
  217   2H5*    G  20          2H5*        G  20   7.607  -3.872   6.682
  218    H4*    G  20           H4*        G  20   5.233  -3.739   7.261
  219    H3*    G  20           H3*        G  20   6.673  -6.106   6.670
  220    H1*    G  20           H1*        G  20   2.981  -5.462   5.397
  221    H8     G  20           H8         G  20   5.925  -5.555   2.818
  222    H1     G  20           H1         G  20   0.008  -5.719   0.349
  223   1H2     G  20          1H2         G  20  -1.494  -5.581   1.953
  224   2H2     G  20          2H2         G  20  -1.057  -5.448   3.642
  225   1H2*    G  20          1H2*        G  20   5.603  -6.747   4.743
  226   2H2*    G  20          2H2*        G  20   4.262  -7.257   5.933
  227   1H5*    G  21          1H5*        G  21   2.144  -6.703   9.018
  228   2H5*    G  21          2H5*        G  21   2.451  -8.277   9.778
  229    H4*    G  21           H4*        G  21   0.092  -7.925   8.805
  230    H3*    G  21           H3*        G  21   1.990 -10.182   8.595
  231    H1*    G  21           H1*        G  21  -0.641  -8.979   5.846
  232    H8     G  21           H8         G  21   3.255  -9.215   5.504
  233    H1     G  21           H1         G  21  -0.081  -9.405   0.027
  234   1H2     G  21          1H2         G  21  -2.241  -9.305   0.445
  235   2H2     G  21          2H2         G  21  -2.881  -9.192   2.069
  236   1H2*    G  21          1H2*        G  21   1.458 -10.901   6.535
  237   2H2*    G  21          2H2*        G  21  -0.343 -10.862   7.013
  238   1H5*    T  22          1H5*        T  22  -2.794 -10.738   8.376
  239   2H5*    T  22          2H5*        T  22  -3.137 -12.407   8.876
  240    H4*    T  22           H4*        T  22  -4.304 -11.561   6.721
  241    H3*    T  22           H3*        T  22  -2.917 -14.102   7.369
  242   1H2*    T  22          1H2*        T  22  -2.085 -14.512   5.318
  243   2H2*    T  22          2H2*        T  22  -3.808 -14.319   4.639
  244    H1*    T  22           H1*        T  22  -3.363 -12.228   3.913
  245    H3     T  22           H3         T  22  -0.157 -12.880   0.856
  246   1H5M    T  22          1H5M        T  22   2.754 -11.820   4.799
  247   2H5M    T  22          2H5M        T  22   3.079 -13.464   4.199
  248   3H5M    T  22          3H5M        T  22   2.162 -13.232   5.706
  249    H6     T  22           H6         T  22  -0.124 -12.643   5.655
  250   1H5*    T  23          1H5*        T  23  -6.319 -13.845   4.092
  251   2H5*    T  23          2H5*        T  23  -7.386 -15.191   4.540
  252    H4*    T  23           H4*        T  23  -7.268 -14.984   2.083
  253    H3*    T  23           H3*        T  23  -6.495 -17.321   3.670
  254   1H2*    T  23          1H2*        T  23  -4.678 -17.991   2.532
  255   2H2*    T  23          2H2*        T  23  -5.719 -17.999   0.984
  256    H1*    T  23           H1*        T  23  -4.752 -16.109   0.278
  257    H3     T  23           H3         T  23  -0.298 -16.240   0.115
  258   1H5M    T  23          1H5M        T  23  -1.815 -16.781   5.299
  259   2H5M    T  23          2H5M        T  23  -0.309 -15.902   4.937
  260   3H5M    T  23          3H5M        T  23  -0.381 -17.668   4.732
  261    H6     T  23           H6         T  23  -3.437 -16.530   3.742
  262   1H5*    G  24          1H5*        G  24  -8.168 -18.620  -0.924
  263   2H5*    G  24          2H5*        G  24  -8.907 -20.157  -0.430
  264    H4*    G  24           H4*        G  24  -7.466 -20.309  -2.518
  265    H3*    G  24           H3*        G  24  -7.516 -21.947  -0.105
  266    H1*    G  24           H1*        G  24  -4.286 -21.047  -2.249
  267    H8     G  24           H8         G  24  -4.846 -20.277   1.551
  268    H1     G  24           H1         G  24   1.154 -19.593  -0.617
  269   1H2     G  24          1H2         G  24   1.238 -20.020  -2.775
  270   2H2     G  24          2H2         G  24  -0.174 -20.476  -3.700
  271    H3T    G  24           H3T        G  24  -6.827 -23.328  -2.272
  272   1H2*    G  24          1H2*        G  24  -5.332 -22.226   0.247
  273   2H2*    G  24          2H2*        G  24  -5.208 -22.936  -1.472
  Start of MODEL    3
    1   1H5*    C   1          1H5*        C   1   8.054 -22.751  -2.755
    2   2H5*    C   1          2H5*        C   1   9.277 -22.252  -3.952
    3    H4*    C   1           H4*        C   1   7.303 -22.067  -5.198
    4    H3*    C   1           H3*        C   1   8.288 -19.599  -4.023
    5    H1*    C   1           H1*        C   1   4.434 -20.623  -4.335
    6   1H4     C   1          1H4         C   1   1.856 -19.530   1.348
    7   2H4     C   1          2H4         C   1   3.425 -19.482   2.121
    8    H5     C   1           H5         C   1   5.494 -19.793   0.930
    9    H6     C   1           H6         C   1   6.510 -20.208  -1.263
   10    H5T    C   1           H5T        C   1   9.802 -20.874  -2.476
   11   1H2*    C   1          1H2*        C   1   6.399 -18.790  -3.109
   12   2H2*    C   1          2H2*        C   1   5.671 -18.817  -4.826
   13   1H5*    A   2          1H5*        A   2   5.549 -19.182  -8.188
   14   2H5*    A   2          2H5*        A   2   5.924 -17.548  -8.774
   15    H4*    A   2           H4*        A   2   3.420 -18.241  -8.686
   16    H3*    A   2           H3*        A   2   4.838 -15.752  -7.899
   17    H1*    A   2           H1*        A   2   1.580 -17.326  -6.219
   18    H8     A   2           H8         A   2   5.047 -16.517  -4.582
   19   1H6     A   2          1H6         A   2   1.839 -16.228   0.700
   20   2H6     A   2          2H6         A   2   3.424 -16.119  -0.031
   21    H2     A   2           H2         A   2  -1.046 -17.085  -2.630
   22   1H2*    A   2          1H2*        A   2   3.445 -15.082  -6.269
   23   2H2*    A   2          2H2*        A   2   1.986 -15.453  -7.367
   24   1H5*    A   3          1H5*        A   3   0.456 -15.861  -9.616
   25   2H5*    A   3          2H5*        A   3   0.023 -14.295 -10.334
   26    H4*    A   3           H4*        A   3  -1.716 -15.359  -8.746
   27    H3*    A   3           H3*        A   3  -0.766 -12.630  -9.117
   28    H1*    A   3           H1*        A   3  -1.835 -14.342  -5.687
   29    H8     A   3           H8         A   3   1.909 -13.416  -6.342
   30   1H6     A   3          1H6         A   3   2.261 -12.857  -0.191
   31   2H6     A   3          2H6         A   3   3.150 -12.797  -1.697
   32    H2     A   3           H2         A   3  -1.990 -13.830  -1.254
   33   1H2*    A   3          1H2*        A   3  -0.397 -12.071  -6.964
   34   2H2*    A   3          2H2*        A   3  -2.219 -12.360  -6.697
   35   1H5*    C   4          1H5*        C   4  -5.265 -12.942  -6.773
   36   2H5*    C   4          2H5*        C   4  -5.893 -11.370  -7.309
   37    H4*    C   4           H4*        C   4  -6.063 -11.899  -4.779
   38    H3*    C   4           H3*        C   4  -5.229  -9.469  -6.254
   39    H1*    C   4           H1*        C   4  -4.248 -10.826  -2.692
   40   1H4     C   4          1H4         C   4   1.929  -9.824  -1.685
   41   2H4     C   4          2H4         C   4   2.262  -9.772  -3.403
   42    H5     C   4           H5         C   4   0.557 -10.013  -5.085
   43    H6     C   4           H6         C   4  -1.838 -10.343  -5.489
   44   1H2*    C   4          1H2*        C   4  -3.623  -8.810  -4.812
   45   2H2*    C   4          2H2*        C   4  -4.933  -8.809  -3.484
   46   1H5*    C   5          1H5*        C   5  -7.738  -8.999  -2.127
   47   2H5*    C   5          2H5*        C   5  -8.698  -7.527  -2.374
   48    H4*    C   5           H4*        C   5  -7.684  -7.759  -0.047
   49    H3*    C   5           H3*        C   5  -7.759  -5.500  -1.888
   50    H1*    C   5           H1*        C   5  -4.918  -6.445   0.695
   51   1H4     C   5          1H4         C   5   0.782  -6.034  -2.040
   52   2H4     C   5          2H4         C   5   0.089  -6.110  -3.644
   53    H5     C   5           H5         C   5  -2.278  -6.279  -4.052
   54    H6     C   5           H6         C   5  -4.493  -6.425  -3.012
   55   1H2*    C   5          1H2*        C   5  -5.584  -4.875  -1.759
   56   2H2*    C   5          2H2*        C   5  -5.930  -4.524   0.039
   57   1H5*    A   6          1H5*        A   6  -7.528  -4.808   3.109
   58   2H5*    A   6          2H5*        A   6  -8.695  -3.470   3.140
   59    H4*    A   6           H4*        A   6  -6.864  -3.309   4.900
   60    H3*    A   6           H3*        A   6  -7.905  -1.326   3.038
   61    H1*    A   6           H1*        A   6  -4.055  -1.665   4.105
   62    H8     A   6           H8         A   6  -5.573  -1.715   0.500
   63   1H6     A   6          1H6         A   6   0.323  -1.633  -1.378
   64   2H6     A   6          2H6         A   6  -1.352  -1.603  -1.884
   65    H2     A   6           H2         A   6   0.296  -1.829   3.106
   66   1H2*    A   6          1H2*        A   6  -5.997  -0.397   2.299
   67   2H2*    A   6          2H2*        A   6  -5.578  -0.024   4.077
   68   1H5*    G   7          1H5*        G   7  -5.518  -0.758   6.348
   69   2H5*    G   7          2H5*        G   7  -6.167   0.121   7.747
   70    H4*    G   7           H4*        G   7  -3.851   0.392   8.047
   71    H3*    G   7           H3*        G   7  -5.327   2.644   6.863
   72    H1*    G   7           H1*        G   7  -1.583   1.551   5.990
   73    H8     G   7           H8         G   7  -4.649   1.942   3.585
   74    H1     G   7           H1         G   7   1.108   1.594   0.778
   75   1H2     G   7          1H2         G   7   2.683   1.342   2.295
   76   2H2     G   7          2H2         G   7   2.336   1.257   4.008
   77   1H2*    G   7          1H2*        G   7  -3.793   3.381   5.404
   78   2H2*    G   7          2H2*        G   7  -2.544   3.405   6.786
   79   1H5*    G   8          1H5*        G   8  -1.466   2.860   8.821
   80   2H5*    G   8          2H5*        G   8  -1.285   4.114  10.064
   81    H4*    G   8           H4*        G   8   0.848   3.776   8.849
   82    H3*    G   8           H3*        G   8  -0.575   6.234   9.250
   83    H1*    G   8           H1*        G   8   1.407   5.258   5.968
   84    H8     G   8           H8         G   8  -2.503   5.464   5.816
   85    H1     G   8           H1         G   8   0.576   5.942   0.209
   86   1H2     G   8          1H2         G   8   2.754   5.822   0.521
   87   2H2     G   8          2H2         G   8   3.467   5.623   2.105
   88   1H2*    G   8          1H2*        G   8  -0.868   6.859   7.075
   89   2H2*    G   8          2H2*        G   8   0.969   7.169   7.119
   90   1H5*    G   9          1H5*        G   9   4.781   7.426   8.482
   91   2H5*    G   9          2H5*        G   9   4.330   9.054   9.025
   92    H4*    G   9           H4*        G   9   5.776   8.692   6.800
   93    H3*    G   9           H3*        G   9   3.735  10.668   7.715
   94    H1*    G   9           H1*        G   9   4.540   9.339   4.067
   95    H8     G   9           H8         G   9   1.099   8.979   5.878
   96    H1     G   9           H1         G   9   0.867   9.476  -0.514
   97   1H2     G   9          1H2         G   9   2.887   9.802  -1.327
   98   2H2     G   9          2H2         G   9   4.308   9.900  -0.311
   99   1H2*    G   9          1H2*        G   9   2.909  11.177   5.686
  100   2H2*    G   9          2H2*        G   9   4.649  11.355   5.039
  101   1H5*    T  10          1H5*        T  10   7.493  12.101   4.577
  102   2H5*    T  10          2H5*        T  10   7.575  13.783   5.140
  103    H4*    T  10           H4*        T  10   7.571  13.402   2.577
  104    H3*    T  10           H3*        T  10   6.103  15.315   4.306
  105   1H2*    T  10          1H2*        T  10   4.236  15.482   3.065
  106   2H2*    T  10          2H2*        T  10   5.302  15.813   1.571
  107    H1*    T  10           H1*        T  10   5.027  13.706   0.839
  108    H3     T  10           H3         T  10   0.672  12.948   0.234
  109   1H5M    T  10          1H5M        T  10   0.785  11.740   5.045
  110   2H5M    T  10          2H5M        T  10  -0.095  13.278   4.883
  111   3H5M    T  10          3H5M        T  10   1.552  13.261   5.559
  112    H6     T  10           H6         T  10   3.397  13.376   4.169
  113   1H5*    T  11          1H5*        T  11   7.676  16.479  -0.162
  114   2H5*    T  11          2H5*        T  11   7.897  18.240  -0.117
  115    H4*    T  11           H4*        T  11   6.777  17.307  -2.233
  116    H3*    T  11           H3*        T  11   6.097  19.588  -0.502
  117   1H2*    T  11          1H2*        T  11   3.857  19.462  -0.580
  118   2H2*    T  11          2H2*        T  11   3.966  19.416  -2.439
  119    H1*    T  11           H1*        T  11   3.537  17.221  -2.450
  120    H3     T  11           H3         T  11  -0.278  16.347  -0.314
  121   1H5M    T  11          1H5M        T  11   2.266  16.382   3.786
  122   2H5M    T  11          2H5M        T  11   1.800  18.097   3.692
  123   3H5M    T  11          3H5M        T  11   3.487  17.613   3.386
  124    H6     T  11           H6         T  11   4.076  17.698   1.203
  125   1H5*    G  12          1H5*        G  12   4.337  20.404  -5.555
  126   2H5*    G  12          2H5*        G  12   4.958  22.046  -5.291
  127    H4*    G  12           H4*        G  12   2.593  21.918  -6.253
  128    H3*    G  12           H3*        G  12   3.698  23.475  -4.024
  129    H1*    G  12           H1*        G  12   0.020  21.923  -4.142
  130    H8     G  12           H8         G  12   2.860  21.552  -1.475
  131    H1     G  12           H1         G  12  -2.878  19.200   0.170
  132   1H2     G  12          1H2         G  12  -4.303  19.434  -1.493
  133   2H2     G  12          2H2         G  12  -3.857  20.167  -3.018
  134    H3T    G  12           H3T        G  12   1.654  24.401  -5.708
  135   1H2*    G  12          1H2*        G  12   1.981  23.447  -2.609
  136   2H2*    G  12          2H2*        G  12   0.853  23.987  -3.990
  137   1H5*    C  13          1H5*        C  13 -10.309  19.248   3.750
  138   2H5*    C  13          2H5*        C  13 -11.774  18.338   3.292
  139    H4*    C  13           H4*        C  13 -10.944  18.987   1.199
  140    H3*    C  13           H3*        C  13 -10.185  16.296   2.075
  141    H1*    C  13           H1*        C  13  -7.951  18.831  -0.050
  142   1H4     C  13          1H4         C  13  -2.172  18.536   2.534
  143   2H4     C  13          2H4         C  13  -2.807  17.914   4.040
  144    H5     C  13           H5         C  13  -5.150  17.494   4.411
  145    H6     C  13           H6         C  13  -7.388  17.566   3.412
  146    H5T    C  13           H5T        C  13 -10.869  16.539   3.912
  147   1H2*    C  13          1H2*        C  13  -8.033  16.276   1.424
  148   2H2*    C  13          2H2*        C  13  -8.620  16.705  -0.292
  149   1H5*    A  14          1H5*        A  14 -10.475  17.093  -2.605
  150   2H5*    A  14          2H5*        A  14 -10.767  15.560  -3.449
  151    H4*    A  14           H4*        A  14  -8.853  17.064  -4.351
  152    H3*    A  14           H3*        A  14  -9.068  14.152  -3.891
  153    H1*    A  14           H1*        A  14  -5.895  16.517  -3.718
  154    H8     A  14           H8         A  14  -7.184  14.541  -0.596
  155   1H6     A  14          1H6         A  14  -1.305  14.829   1.310
  156   2H6     A  14          2H6         A  14  -2.925  14.309   1.712
  157    H2     A  14           H2         A  14  -1.543  16.739  -2.744
  158   1H2*    A  14          1H2*        A  14  -6.952  13.787  -3.212
  159   2H2*    A  14          2H2*        A  14  -6.377  14.592  -4.791
  160   1H5*    A  15          1H5*        A  15  -6.145  15.807  -7.529
  161   2H5*    A  15          2H5*        A  15  -6.046  14.403  -8.611
  162    H4*    A  15           H4*        A  15  -3.812  15.547  -7.998
  163    H3*    A  15           H3*        A  15  -4.612  12.755  -8.260
  164    H1*    A  15           H1*        A  15  -1.963  14.339  -5.808
  165    H8     A  15           H8         A  15  -5.194  12.764  -4.250
  166   1H6     A  15          1H6         A  15  -1.720  12.070   0.820
  167   2H6     A  15          2H6         A  15  -3.306  11.846   0.120
  168    H2     A  15           H2         A  15   0.857  13.852  -2.394
  169   1H2*    A  15          1H2*        A  15  -3.754  11.984  -6.307
  170   2H2*    A  15          2H2*        A  15  -2.095  12.421  -7.033
  171   1H5*    C  16          1H5*        C  16   0.570  13.563  -8.588
  172   2H5*    C  16          2H5*        C  16   0.798  12.115  -9.588
  173    H4*    C  16           H4*        C  16   2.371  12.397  -7.545
  174    H3*    C  16           H3*        C  16   0.865  10.056  -8.593
  175    H1*    C  16           H1*        C  16   2.203  11.002  -5.029
  176   1H4     C  16          1H4         C  16  -1.958   9.286  -0.568
  177   2H4     C  16          2H4         C  16  -3.291   9.345  -1.701
  178    H5     C  16           H5         C  16  -3.018   9.895  -4.030
  179    H6     C  16           H6         C  16  -1.409  10.496  -5.779
  180   1H2*    C  16          1H2*        C  16   0.451   9.121  -6.580
  181   2H2*    C  16          2H2*        C  16   2.294   9.106  -6.302
  182   1H5*    C  17          1H5*        C  17   5.427   9.680  -6.775
  183   2H5*    C  17          2H5*        C  17   6.054   8.153  -7.429
  184    H4*    C  17           H4*        C  17   6.484   8.661  -4.909
  185    H3*    C  17           H3*        C  17   5.589   6.180  -6.326
  186    H1*    C  17           H1*        C  17   5.046   7.472  -2.638
  187   1H4     C  17          1H4         C  17  -0.773   5.578  -0.979
  188   2H4     C  17          2H4         C  17  -1.314   5.593  -2.642
  189    H5     C  17           H5         C  17   0.128   6.135  -4.494
  190    H6     C  17           H6         C  17   2.400   6.779  -5.151
  191   1H2*    C  17          1H2*        C  17   4.484   5.295  -4.577
  192   2H2*    C  17          2H2*        C  17   5.978   5.611  -3.509
  193   1H5*    C  18          1H5*        C  18   8.122   5.878  -2.353
  194   2H5*    C  18          2H5*        C  18   9.270   4.565  -2.685
  195    H4*    C  18           H4*        C  18   8.186   4.467  -0.384
  196    H3*    C  18           H3*        C  18   8.296   2.342  -2.491
  197    H1*    C  18           H1*        C  18   5.780   2.998   0.474
  198   1H4     C  18          1H4         C  18   0.039   1.467  -1.730
  199   2H4     C  18          2H4         C  18   0.614   1.422  -3.380
  200    H5     C  18           H5         C  18   2.897   1.882  -3.996
  201    H6     C  18           H6         C  18   5.125   2.470  -3.162
  202   1H2*    C  18          1H2*        C  18   6.474   1.221  -1.793
  203   2H2*    C  18          2H2*        C  18   7.133   1.277  -0.051
  204   1H5*    T  19          1H5*        T  19   8.991   1.179   2.452
  205   2H5*    T  19          2H5*        T  19   9.995  -0.255   2.160
  206    H4*    T  19           H4*        T  19   8.160  -0.505   3.947
  207    H3*    T  19           H3*        T  19   8.931  -2.251   1.675
  208   1H2*    T  19          1H2*        T  19   6.901  -3.112   1.244
  209   2H2*    T  19          2H2*        T  19   6.727  -3.521   3.053
  210    H1*    T  19           H1*        T  19   5.376  -1.758   3.377
  211    H3     T  19           H3         T  19   1.771  -1.804   0.758
  212   1H5M    T  19          1H5M        T  19   5.018  -2.266  -2.933
  213   2H5M    T  19          2H5M        T  19   6.092  -0.954  -2.391
  214   3H5M    T  19          3H5M        T  19   4.448  -0.581  -2.962
  215    H6     T  19           H6         T  19   6.467  -1.381  -0.168
  216   1H5*    G  20          1H5*        G  20   7.213  -3.128   5.401
  217   2H5*    G  20          2H5*        G  20   8.053  -4.277   6.462
  218    H4*    G  20           H4*        G  20   5.702  -4.242   7.099
  219    H3*    G  20           H3*        G  20   7.145  -6.543   6.276
  220    H1*    G  20           H1*        G  20   3.406  -5.830   5.218
  221    H8     G  20           H8         G  20   6.212  -5.674   2.491
  222    H1     G  20           H1         G  20   0.178  -5.864   0.324
  223   1H2     G  20          1H2         G  20  -1.238  -5.890   2.010
  224   2H2     G  20          2H2         G  20  -0.715  -5.862   3.680
  225   1H2*    G  20          1H2*        G  20   6.002  -7.048   4.351
  226   2H2*    G  20          2H2*        G  20   4.714  -7.658   5.552
  227   1H5*    G  21          1H5*        G  21   2.810  -7.205   8.830
  228   2H5*    G  21          2H5*        G  21   3.114  -8.801   9.546
  229    H4*    G  21           H4*        G  21   0.699  -8.349   8.789
  230    H3*    G  21           H3*        G  21   2.478 -10.666   8.393
  231    H1*    G  21           H1*        G  21  -0.283  -9.330   5.831
  232    H8     G  21           H8         G  21   3.584  -9.588   5.268
  233    H1     G  21           H1         G  21  -0.054  -9.710  -0.014
  234   1H2     G  21          1H2         G  21  -2.187  -9.612   0.525
  235   2H2     G  21          2H2         G  21  -2.734  -9.517   2.183
  236   1H2*    G  21          1H2*        G  21   1.802 -11.313   6.353
  237   2H2*    G  21          2H2*        G  21   0.036 -11.238   6.946
  238   1H5*    T  22          1H5*        T  22  -2.327 -11.070   8.456
  239   2H5*    T  22          2H5*        T  22  -2.689 -12.736   8.953
  240    H4*    T  22           H4*        T  22  -3.958 -11.820   6.884
  241    H3*    T  22           H3*        T  22  -2.619 -14.412   7.418
  242   1H2*    T  22          1H2*        T  22  -1.921 -14.821   5.318
  243   2H2*    T  22          2H2*        T  22  -3.675 -14.561   4.742
  244    H1*    T  22           H1*        T  22  -3.200 -12.477   4.014
  245    H3     T  22           H3         T  22  -0.189 -13.199   0.777
  246   1H5M    T  22          1H5M        T  22   2.957 -12.264   4.580
  247   2H5M    T  22          2H5M        T  22   3.215 -13.896   3.919
  248   3H5M    T  22          3H5M        T  22   2.385 -13.689   5.480
  249    H6     T  22           H6         T  22   0.116 -13.011   5.569
  250   1H5*    T  23          1H5*        T  23  -6.223 -13.990   4.368
  251   2H5*    T  23          2H5*        T  23  -7.295 -15.320   4.851
  252    H4*    T  23           H4*        T  23  -7.311 -15.040   2.391
  253    H3*    T  23           H3*        T  23  -6.570 -17.446   3.881
  254   1H2*    T  23          1H2*        T  23  -4.836 -18.164   2.649
  255   2H2*    T  23          2H2*        T  23  -5.948 -18.102   1.154
  256    H1*    T  23           H1*        T  23  -4.940 -16.239   0.430
  257    H3     T  23           H3         T  23  -0.511 -16.559   0.038
  258   1H5M    T  23          1H5M        T  23  -0.439 -18.066   4.636
  259   2H5M    T  23          2H5M        T  23  -1.787 -17.100   5.286
  260   3H5M    T  23          3H5M        T  23  -0.251 -16.310   4.854
  261    H6     T  23           H6         T  23  -3.472 -16.774   3.817
  262   1H5*    G  24          1H5*        G  24  -8.529 -18.587  -0.646
  263   2H5*    G  24          2H5*        G  24  -9.311 -20.097  -0.135
  264    H4*    G  24           H4*        G  24  -7.984 -20.279  -2.295
  265    H3*    G  24           H3*        G  24  -7.987 -21.952   0.095
  266    H1*    G  24           H1*        G  24  -4.832 -21.160  -2.199
  267    H8     G  24           H8         G  24  -5.162 -20.420   1.634
  268    H1     G  24           H1         G  24   0.743 -19.973  -0.830
  269   1H2     G  24          1H2         G  24   0.699 -20.373  -2.996
  270   2H2     G  24          2H2         G  24  -0.778 -20.753  -3.852
  271    H3T    G  24           H3T        G  24  -7.536 -22.711  -2.610
  272   1H2*    G  24          1H2*        G  24  -5.802 -22.328   0.333
  273   2H2*    G  24          2H2*        G  24  -5.795 -23.019  -1.397
  Start of MODEL    4
    1   1H5*    C   1          1H5*        C   1   8.698 -21.680  -2.346
    2   2H5*    C   1          2H5*        C   1   9.972 -21.091  -3.446
    3    H4*    C   1           H4*        C   1   8.086 -21.011  -4.831
    4    H3*    C   1           H3*        C   1   8.840 -18.506  -3.580
    5    H1*    C   1           H1*        C   1   5.075 -19.741  -4.144
    6   1H4     C   1          1H4         C   1   2.089 -18.898   1.380
    7   2H4     C   1          2H4         C   1   3.600 -18.813   2.257
    8    H5     C   1           H5         C   1   5.755 -18.965   1.192
    9    H6     C   1           H6         C   1   6.928 -19.276  -0.938
   10    H5T    C   1           H5T        C   1  10.302 -19.709  -1.915
   11   1H2*    C   1          1H2*        C   1   6.853 -17.831  -2.763
   12   2H2*    C   1          2H2*        C   1   6.234 -17.859  -4.520
   13   1H5*    A   2          1H5*        A   2   6.350 -18.157  -7.909
   14   2H5*    A   2          2H5*        A   2   6.676 -16.496  -8.440
   15    H4*    A   2           H4*        A   2   4.210 -17.312  -8.524
   16    H3*    A   2           H3*        A   2   5.450 -14.775  -7.608
   17    H1*    A   2           H1*        A   2   2.181 -16.538  -6.149
   18    H8     A   2           H8         A   2   5.506 -15.603  -4.297
   19   1H6     A   2          1H6         A   2   1.998 -15.627   0.799
   20   2H6     A   2          2H6         A   2   3.611 -15.401   0.161
   21    H2     A   2           H2         A   2  -0.648 -16.535  -2.711
   22   1H2*    A   2          1H2*        A   2   3.943 -14.213  -6.039
   23   2H2*    A   2          2H2*        A   2   2.565 -14.620  -7.227
   24   1H5*    A   3          1H5*        A   3   1.162 -15.047  -9.567
   25   2H5*    A   3          2H5*        A   3   0.702 -13.480 -10.263
   26    H4*    A   3           H4*        A   3  -1.070 -14.662  -8.800
   27    H3*    A   3           H3*        A   3  -0.223 -11.887  -9.051
   28    H1*    A   3           H1*        A   3  -1.397 -13.737  -5.730
   29    H8     A   3           H8         A   3   2.332 -12.628  -6.149
   30   1H6     A   3          1H6         A   3   2.329 -12.265   0.026
   31   2H6     A   3          2H6         A   3   3.287 -12.087  -1.427
   32    H2     A   3           H2         A   3  -1.812 -13.378  -1.299
   33   1H2*    A   3          1H2*        A   3   0.012 -11.374  -6.867
   34   2H2*    A   3          2H2*        A   3  -1.809 -11.742  -6.706
   35   1H5*    C   4          1H5*        C   4  -4.824 -12.448  -6.966
   36   2H5*    C   4          2H5*        C   4  -5.487 -10.884  -7.485
   37    H4*    C   4           H4*        C   4  -5.761 -11.503  -4.984
   38    H3*    C   4           H3*        C   4  -4.963  -8.996  -6.341
   39    H1*    C   4           H1*        C   4  -4.101 -10.425  -2.775
   40   1H4     C   4          1H4         C   4   1.971  -9.214  -1.419
   41   2H4     C   4          2H4         C   4   2.390  -9.102  -3.115
   42    H5     C   4           H5         C   4   0.781  -9.340  -4.891
   43    H6     C   4           H6         C   4  -1.575  -9.748  -5.429
   44   1H2*    C   4          1H2*        C   4  -3.452  -8.322  -4.804
   45   2H2*    C   4          2H2*        C   4  -4.822  -8.410  -3.543
   46   1H5*    C   5          1H5*        C   5  -7.685  -8.764  -2.339
   47   2H5*    C   5          2H5*        C   5  -8.690  -7.319  -2.571
   48    H4*    C   5           H4*        C   5  -7.768  -7.612  -0.211
   49    H3*    C   5           H3*        C   5  -7.875  -5.283  -1.955
   50    H1*    C   5           H1*        C   5  -5.098  -6.209   0.698
   51   1H4     C   5          1H4         C   5   0.703  -5.483  -1.745
   52   2H4     C   5          2H4         C   5   0.089  -5.532  -3.383
   53    H5     C   5           H5         C   5  -2.249  -5.760  -3.909
   54    H6     C   5           H6         C   5  -4.502  -6.028  -2.982
   55   1H2*    C   5          1H2*        C   5  -5.724  -4.596  -1.744
   56   2H2*    C   5          2H2*        C   5  -6.144  -4.300   0.047
   57   1H5*    A   6          1H5*        A   6  -7.998  -4.560   3.181
   58   2H5*    A   6          2H5*        A   6  -9.060  -3.142   3.053
   59    H4*    A   6           H4*        A   6  -7.268  -3.025   4.887
   60    H3*    A   6           H3*        A   6  -8.148  -1.072   2.887
   61    H1*    A   6           H1*        A   6  -4.341  -1.553   4.077
   62    H8     A   6           H8         A   6  -5.941  -1.500   0.511
   63   1H6     A   6          1H6         A   6  -0.101  -1.823  -1.507
   64   2H6     A   6          2H6         A   6  -1.781  -1.659  -1.973
   65    H2     A   6           H2         A   6  -0.035  -2.040   2.975
   66   1H2*    A   6          1H2*        A   6  -6.189  -0.137   2.327
   67   2H2*    A   6          2H2*        A   6  -5.826   0.112   4.138
   68   1H5*    G   7          1H5*        G   7  -5.963  -0.604   6.310
   69   2H5*    G   7          2H5*        G   7  -6.565   0.385   7.657
   70    H4*    G   7           H4*        G   7  -4.222   0.406   7.989
   71    H3*    G   7           H3*        G   7  -5.496   2.788   6.818
   72    H1*    G   7           H1*        G   7  -1.846   1.407   5.930
   73    H8     G   7           H8         G   7  -4.912   2.074   3.584
   74    H1     G   7           H1         G   7   0.764   1.385   0.677
   75   1H2     G   7          1H2         G   7   2.340   0.992   2.163
   76   2H2     G   7          2H2         G   7   2.013   0.895   3.880
   77   1H2*    G   7          1H2*        G   7  -3.876   3.442   5.414
   78   2H2*    G   7          2H2*        G   7  -2.646   3.296   6.807
   79   1H5*    G   8          1H5*        G   8  -1.575   2.748   8.935
   80   2H5*    G   8          2H5*        G   8  -1.325   4.117  10.036
   81    H4*    G   8           H4*        G   8   0.754   3.486   8.767
   82    H3*    G   8           H3*        G   8  -0.427   6.055   9.209
   83    H1*    G   8           H1*        G   8   1.306   4.913   5.845
   84    H8     G   8           H8         G   8  -2.586   5.361   5.857
   85    H1     G   8           H1         G   8   0.279   5.683   0.127
   86   1H2     G   8          1H2         G   8   2.457   5.436   0.347
   87   2H2     G   8          2H2         G   8   3.223   5.192   1.900
   88   1H2*    G   8          1H2*        G   8  -0.802   6.675   7.042
   89   2H2*    G   8          2H2*        G   8   1.051   6.863   6.990
   90   1H5*    G   9          1H5*        G   9   4.968   6.825   8.150
   91   2H5*    G   9          2H5*        G   9   4.658   8.486   8.694
   92    H4*    G   9           H4*        G   9   5.961   7.998   6.403
   93    H3*    G   9           H3*        G   9   4.129  10.129   7.406
   94    H1*    G   9           H1*        G   9   4.619   8.721   3.728
   95    H8     G   9           H8         G   9   1.275   8.649   5.747
   96    H1     G   9           H1         G   9   0.699   9.050  -0.631
   97   1H2     G   9          1H2         G   9   2.686   9.203  -1.567
   98   2H2     G   9          2H2         G   9   4.167   9.209  -0.637
   99   1H2*    G   9          1H2*        G   9   3.224  10.683   5.423
  100   2H2*    G   9          2H2*        G   9   4.930  10.729   4.673
  101   1H5*    T  10          1H5*        T  10   7.768  11.249   4.034
  102   2H5*    T  10          2H5*        T  10   8.011  12.930   4.549
  103    H4*    T  10           H4*        T  10   7.805  12.505   2.004
  104    H3*    T  10           H3*        T  10   6.606  14.552   3.782
  105   1H2*    T  10          1H2*        T  10   4.658  14.813   2.691
  106   2H2*    T  10          2H2*        T  10   5.621  15.060   1.115
  107    H1*    T  10           H1*        T  10   5.168  12.965   0.438
  108    H3     T  10           H3         T  10   0.742  12.479   0.149
  109   1H5M    T  10          1H5M        T  10   1.087  11.354   4.959
  110   2H5M    T  10          2H5M        T  10   0.336  12.964   4.838
  111   3H5M    T  10          3H5M        T  10   2.019  12.804   5.395
  112    H6     T  10           H6         T  10   3.755  12.796   3.879
  113   1H5*    T  11          1H5*        T  11   7.902  15.537  -0.841
  114   2H5*    T  11          2H5*        T  11   8.231  17.282  -0.833
  115    H4*    T  11           H4*        T  11   6.895  16.404  -2.845
  116    H3*    T  11           H3*        T  11   6.489  18.733  -1.090
  117   1H2*    T  11          1H2*        T  11   4.245  18.746  -1.000
  118   2H2*    T  11          2H2*        T  11   4.212  18.679  -2.863
  119    H1*    T  11           H1*        T  11   3.652  16.514  -2.813
  120    H3     T  11           H3         T  11  -0.033  15.869  -0.386
  121   1H5M    T  11          1H5M        T  11   4.055  16.988   3.003
  122   2H5M    T  11          2H5M        T  11   2.797  15.840   3.518
  123   3H5M    T  11          3H5M        T  11   2.428  17.579   3.418
  124    H6     T  11           H6         T  11   4.486  17.011   0.782
  125   1H5*    G  12          1H5*        G  12   4.348  19.556  -6.060
  126   2H5*    G  12          2H5*        G  12   5.106  21.147  -5.851
  127    H4*    G  12           H4*        G  12   2.666  21.188  -6.621
  128    H3*    G  12           H3*        G  12   4.052  22.660  -4.485
  129    H1*    G  12           H1*        G  12   0.274  21.372  -4.296
  130    H8     G  12           H8         G  12   3.322  20.875  -1.891
  131    H1     G  12           H1         G  12  -2.359  18.863   0.307
  132   1H2     G  12          1H2         G  12  -3.915  19.150  -1.227
  133   2H2     G  12          2H2         G  12  -3.571  19.837  -2.799
  134    H3T    G  12           H3T        G  12   2.008  23.828  -5.962
  135   1H2*    G  12          1H2*        G  12   2.431  22.806  -2.969
  136   2H2*    G  12          2H2*        G  12   1.249  23.378  -4.292
  137   1H5*    C  13          1H5*        C  13  -9.416  19.100   4.622
  138   2H5*    C  13          2H5*        C  13 -10.907  18.182   4.275
  139    H4*    C  13           H4*        C  13 -10.258  18.955   2.145
  140    H3*    C  13           H3*        C  13  -9.547  16.199   2.820
  141    H1*    C  13           H1*        C  13  -7.402  18.733   0.606
  142   1H4     C  13          1H4         C  13  -1.423  18.110   2.612
  143   2H4     C  13          2H4         C  13  -1.941  17.463   4.152
  144    H5     C  13           H5         C  13  -4.256  17.136   4.736
  145    H6     C  13           H6         C  13  -6.572  17.334   3.958
  146    H5T    C  13           H5T        C  13  -9.684  16.883   5.536
  147   1H2*    C  13          1H2*        C  13  -7.456  16.128   1.993
  148   2H2*    C  13          2H2*        C  13  -8.171  16.641   0.350
  149   1H5*    A  14          1H5*        A  14 -10.344  17.050  -1.804
  150   2H5*    A  14          2H5*        A  14 -10.772  15.531  -2.613
  151    H4*    A  14           H4*        A  14  -8.892  16.958  -3.692
  152    H3*    A  14           H3*        A  14  -9.186  14.058  -3.212
  153    H1*    A  14           H1*        A  14  -5.905  16.279  -3.314
  154    H8     A  14           H8         A  14  -7.017  14.347  -0.095
  155   1H6     A  14          1H6         A  14  -1.001  14.423   1.344
  156   2H6     A  14          2H6         A  14  -2.601  13.955   1.870
  157    H2     A  14           H2         A  14  -1.489  16.355  -2.677
  158   1H2*    A  14          1H2*        A  14  -7.041  13.602  -2.703
  159   2H2*    A  14          2H2*        A  14  -6.562  14.375  -4.330
  160   1H5*    A  15          1H5*        A  15  -6.498  15.581  -7.091
  161   2H5*    A  15          2H5*        A  15  -6.543  14.166  -8.162
  162    H4*    A  15           H4*        A  15  -4.222  15.222  -7.729
  163    H3*    A  15           H3*        A  15  -5.155  12.467  -7.920
  164    H1*    A  15           H1*        A  15  -2.264  13.933  -5.676
  165    H8     A  15           H8         A  15  -5.438  12.486  -3.891
  166   1H6     A  15          1H6         A  15  -1.644  11.655   0.924
  167   2H6     A  15          2H6         A  15  -3.285  11.499   0.339
  168    H2     A  15           H2         A  15   0.764  13.345  -2.464
  169   1H2*    A  15          1H2*        A  15  -4.183  11.657  -6.038
  170   2H2*    A  15          2H2*        A  15  -2.567  12.029  -6.888
  171   1H5*    C  16          1H5*        C  16  -0.002  13.074  -8.659
  172   2H5*    C  16          2H5*        C  16   0.110  11.614  -9.662
  173    H4*    C  16           H4*        C  16   1.837  11.866  -7.741
  174    H3*    C  16           H3*        C  16   0.203   9.563  -8.669
  175    H1*    C  16           H1*        C  16   1.791  10.473  -5.194
  176   1H4     C  16          1H4         C  16  -2.165   8.897  -0.501
  177   2H4     C  16          2H4         C  16  -3.556   8.999  -1.557
  178    H5     C  16           H5         C  16  -3.395   9.499  -3.907
  179    H6     C  16           H6         C  16  -1.869  10.048  -5.746
  180   1H2*    C  16          1H2*        C  16  -0.103   8.644  -6.631
  181   2H2*    C  16          2H2*        C  16   1.752   8.582  -6.472
  182   1H5*    C  17          1H5*        C  17   4.849   9.093  -7.174
  183   2H5*    C  17          2H5*        C  17   5.414   7.531  -7.805
  184    H4*    C  17           H4*        C  17   5.975   8.129  -5.324
  185    H3*    C  17           H3*        C  17   5.012   5.612  -6.621
  186    H1*    C  17           H1*        C  17   4.637   7.013  -2.951
  187   1H4     C  17          1H4         C  17  -1.113   5.198  -0.984
  188   2H4     C  17          2H4         C  17  -1.730   5.186  -2.619
  189    H5     C  17           H5         C  17  -0.364   5.645  -4.550
  190    H6     C  17           H6         C  17   1.880   6.254  -5.325
  191   1H2*    C  17          1H2*        C  17   3.976   4.786  -4.803
  192   2H2*    C  17          2H2*        C  17   5.517   5.121  -3.808
  193   1H5*    C  18          1H5*        C  18   7.732   5.444  -2.754
  194   2H5*    C  18          2H5*        C  18   8.836   4.088  -3.066
  195    H4*    C  18           H4*        C  18   7.819   4.145  -0.721
  196    H3*    C  18           H3*        C  18   7.882   1.905  -2.705
  197    H1*    C  18           H1*        C  18   5.420   2.722   0.271
  198   1H4     C  18          1H4         C  18  -0.346   1.064  -1.767
  199   2H4     C  18          2H4         C  18   0.207   0.928  -3.420
  200    H5     C  18           H5         C  18   2.477   1.371  -4.094
  201    H6     C  18           H6         C  18   4.715   2.007  -3.325
  202   1H2*    C  18          1H2*        C  18   6.082   0.819  -1.899
  203   2H2*    C  18          2H2*        C  18   6.777   0.985  -0.177
  204   1H5*    T  19          1H5*        T  19   8.630   1.141   2.214
  205   2H5*    T  19          2H5*        T  19   9.628  -0.324   2.114
  206    H4*    T  19           H4*        T  19   7.775  -0.341   3.898
  207    H3*    T  19           H3*        T  19   8.551  -2.357   1.869
  208   1H2*    T  19          1H2*        T  19   6.514  -3.231   1.499
  209   2H2*    T  19          2H2*        T  19   6.313  -3.439   3.340
  210    H1*    T  19           H1*        T  19   4.984  -1.631   3.457
  211    H3     T  19           H3         T  19   1.392  -1.955   0.841
  212   1H5M    T  19          1H5M        T  19   4.753  -2.859  -2.721
  213   2H5M    T  19          2H5M        T  19   5.695  -1.387  -2.375
  214   3H5M    T  19          3H5M        T  19   4.033  -1.255  -3.001
  215    H6     T  19           H6         T  19   6.095  -1.665  -0.102
  216   1H5*    G  20          1H5*        G  20   6.888  -2.894   5.907
  217   2H5*    G  20          2H5*        G  20   7.662  -4.152   6.890
  218    H4*    G  20           H4*        G  20   5.278  -3.880   7.522
  219    H3*    G  20           H3*        G  20   6.657  -6.272   6.886
  220    H1*    G  20           H1*        G  20   2.973  -5.525   5.644
  221    H8     G  20           H8         G  20   5.903  -5.649   3.052
  222    H1     G  20           H1         G  20  -0.027  -5.642   0.606
  223   1H2     G  20          1H2         G  20  -1.518  -5.493   2.220
  224   2H2     G  20          2H2         G  20  -1.071  -5.394   3.908
  225   1H2*    G  20          1H2*        G  20   5.560  -6.862   4.961
  226   2H2*    G  20          2H2*        G  20   4.214  -7.355   6.152
  227   1H5*    G  21          1H5*        G  21   2.092  -6.864   9.222
  228   2H5*    G  21          2H5*        G  21   2.399  -8.462   9.931
  229    H4*    G  21           H4*        G  21   0.048  -8.086   8.946
  230    H3*    G  21           H3*        G  21   1.960 -10.328   8.676
  231    H1*    G  21           H1*        G  21  -0.665  -9.043   5.962
  232    H8     G  21           H8         G  21   3.231  -9.290   5.613
  233    H1     G  21           H1         G  21  -0.103  -9.249   0.132
  234   1H2     G  21          1H2         G  21  -2.263  -9.146   0.552
  235   2H2     G  21          2H2         G  21  -2.902  -9.088   2.179
  236   1H2*    G  21          1H2*        G  21   1.437 -10.984   6.593
  237   2H2*    G  21          2H2*        G  21  -0.365 -10.964   7.066
  238   1H5*    T  22          1H5*        T  22  -2.819 -10.887   8.433
  239   2H5*    T  22          2H5*        T  22  -3.165 -12.573   8.871
  240    H4*    T  22           H4*        T  22  -4.326 -11.646   6.746
  241    H3*    T  22           H3*        T  22  -2.939 -14.210   7.299
  242   1H2*    T  22          1H2*        T  22  -2.105 -14.542   5.235
  243   2H2*    T  22          2H2*        T  22  -3.829 -14.322   4.561
  244    H1*    T  22           H1*        T  22  -3.382 -12.204   3.918
  245    H3     T  22           H3         T  22  -0.174 -12.734   0.840
  246   1H5M    T  22          1H5M        T  22   2.777 -11.851   4.759
  247   2H5M    T  22          2H5M        T  22   3.032 -13.522   4.199
  248   3H5M    T  22          3H5M        T  22   2.127 -13.214   5.702
  249    H6     T  22           H6         T  22  -0.144 -12.694   5.645
  250   1H5*    T  23          1H5*        T  23  -6.349 -13.815   4.050
  251   2H5*    T  23          2H5*        T  23  -7.417 -15.182   4.430
  252    H4*    T  23           H4*        T  23  -7.293 -14.847   1.985
  253    H3*    T  23           H3*        T  23  -6.547 -17.266   3.456
  254   1H2*    T  23          1H2*        T  23  -4.720 -17.884   2.306
  255   2H2*    T  23          2H2*        T  23  -5.748 -17.824   0.752
  256    H1*    T  23           H1*        T  23  -4.780 -15.902   0.135
  257    H3     T  23           H3         T  23  -0.329 -16.049  -0.034
  258   1H5M    T  23          1H5M        T  23  -0.419 -17.677   4.516
  259   2H5M    T  23          2H5M        T  23  -1.851 -16.808   5.120
  260   3H5M    T  23          3H5M        T  23  -0.341 -15.922   4.800
  261    H6     T  23           H6         T  23  -3.469 -16.482   3.577
  262   1H5*    G  24          1H5*        G  24  -8.163 -18.297  -1.225
  263   2H5*    G  24          2H5*        G  24  -8.924 -19.851  -0.828
  264    H4*    G  24           H4*        G  24  -7.458 -19.900  -2.904
  265    H3*    G  24           H3*        G  24  -7.557 -21.672  -0.590
  266    H1*    G  24           H1*        G  24  -4.287 -20.683  -2.634
  267    H8     G  24           H8         G  24  -4.890 -20.109   1.193
  268    H1     G  24           H1         G  24   1.143 -19.372  -0.860
  269   1H2     G  24          1H2         G  24   1.252 -19.686  -3.037
  270   2H2     G  24          2H2         G  24  -0.154 -20.080  -4.002
  271    H3T    G  24           H3T        G  24  -6.836 -22.925  -2.828
  272   1H2*    G  24          1H2*        G  24  -5.380 -21.981  -0.217
  273   2H2*    G  24          2H2*        G  24  -5.233 -22.604  -1.966
  Start of MODEL    5
    1   1H5*    C   1          1H5*        C   1   7.146 -23.496  -1.629
    2   2H5*    C   1          2H5*        C   1   8.533 -22.934  -2.598
    3    H4*    C   1           H4*        C   1   6.657 -22.765  -4.055
    4    H3*    C   1           H3*        C   1   7.791 -20.356  -2.904
    5    H1*    C   1           H1*        C   1   3.880 -20.965  -3.514
    6   1H4     C   1          1H4         C   1   1.044 -19.311   1.906
    7   2H4     C   1          2H4         C   1   2.546 -19.415   2.797
    8    H5     C   1           H5         C   1   4.649 -19.996   1.778
    9    H6     C   1           H6         C   1   5.764 -20.627  -0.312
   10    H5T    C   1           H5T        C   1   8.612 -21.962  -0.595
   11   1H2*    C   1          1H2*        C   1   5.931 -19.292  -2.220
   12   2H2*    C   1          2H2*        C   1   5.355 -19.350  -3.992
   13   1H5*    A   2          1H5*        A   2   5.447 -19.869  -7.338
   14   2H5*    A   2          2H5*        A   2   6.075 -18.317  -7.928
   15    H4*    A   2           H4*        A   2   3.508 -18.700  -8.077
   16    H3*    A   2           H3*        A   2   5.137 -16.369  -7.209
   17    H1*    A   2           H1*        A   2   1.573 -17.467  -5.784
   18    H8     A   2           H8         A   2   5.002 -16.980  -3.948
   19   1H6     A   2          1H6         A   2   1.525 -16.141   1.100
   20   2H6     A   2          2H6         A   2   3.154 -16.210   0.468
   21    H2     A   2           H2         A   2  -1.226 -16.817  -2.382
   22   1H2*    A   2          1H2*        A   2   3.667 -15.452  -5.778
   23   2H2*    A   2          2H2*        A   2   2.288 -15.740  -7.000
   24   1H5*    A   3          1H5*        A   3   1.087 -16.143  -9.373
   25   2H5*    A   3          2H5*        A   3   0.768 -14.607 -10.206
   26    H4*    A   3           H4*        A   3  -1.135 -15.527  -8.722
   27    H3*    A   3           H3*        A   3  -0.064 -12.857  -9.147
   28    H1*    A   3           H1*        A   3  -1.445 -14.338  -5.717
   29    H8     A   3           H8         A   3   2.376 -13.618  -6.151
   30   1H6     A   3          1H6         A   3   2.328 -12.730  -0.030
   31   2H6     A   3          2H6         A   3   3.319 -12.777  -1.471
   32    H2     A   3           H2         A   3  -1.882 -13.559  -1.341
   33   1H2*    A   3          1H2*        A   3   0.180 -12.202  -7.002
   34   2H2*    A   3          2H2*        A   3  -1.669 -12.402  -6.857
   35   1H5*    C   4          1H5*        C   4  -4.724 -12.887  -7.145
   36   2H5*    C   4          2H5*        C   4  -5.259 -11.324  -7.796
   37    H4*    C   4           H4*        C   4  -5.626 -11.727  -5.264
   38    H3*    C   4           H3*        C   4  -4.609  -9.396  -6.782
   39    H1*    C   4           H1*        C   4  -3.918 -10.611  -3.099
   40   1H4     C   4          1H4         C   4   2.208  -9.723  -1.741
   41   2H4     C   4          2H4         C   4   2.654  -9.779  -3.431
   42    H5     C   4           H5         C   4   1.051 -10.036  -5.211
   43    H6     C   4           H6         C   4  -1.322 -10.319  -5.754
   44   1H2*    C   4          1H2*        C   4  -3.097  -8.709  -5.255
   45   2H2*    C   4          2H2*        C   4  -4.498  -8.620  -4.026
   46   1H5*    C   5          1H5*        C   5  -7.388  -8.723  -2.860
   47   2H5*    C   5          2H5*        C   5  -8.268  -7.220  -3.200
   48    H4*    C   5           H4*        C   5  -7.429  -7.458  -0.800
   49    H3*    C   5           H3*        C   5  -7.304  -5.223  -2.671
   50    H1*    C   5           H1*        C   5  -4.669  -6.214   0.112
   51   1H4     C   5          1H4         C   5   1.192  -6.006  -2.287
   52   2H4     C   5          2H4         C   5   0.591  -6.065  -3.929
   53    H5     C   5           H5         C   5  -1.751  -6.192  -4.473
   54    H6     C   5           H6         C   5  -4.026  -6.263  -3.564
   55   1H2*    C   5          1H2*        C   5  -5.133  -4.648  -2.386
   56   2H2*    C   5          2H2*        C   5  -5.595  -4.280  -0.618
   57   1H5*    A   6          1H5*        A   6  -7.349  -4.651   2.171
   58   2H5*    A   6          2H5*        A   6  -8.469  -3.283   2.332
   59    H4*    A   6           H4*        A   6  -6.667  -3.377   4.122
   60    H3*    A   6           H3*        A   6  -7.630  -1.177   2.503
   61    H1*    A   6           H1*        A   6  -3.796  -1.739   3.516
   62    H8     A   6           H8         A   6  -5.230  -1.474  -0.114
   63   1H6     A   6          1H6         A   6   0.709  -1.389  -1.849
   64   2H6     A   6          2H6         A   6  -0.953  -1.302  -2.392
   65    H2     A   6           H2         A   6   0.571  -1.930   2.604
   66   1H2*    A   6          1H2*        A   6  -5.689  -0.303   1.768
   67   2H2*    A   6          2H2*        A   6  -5.250  -0.032   3.558
   68   1H5*    G   7          1H5*        G   7  -5.116  -0.961   5.826
   69   2H5*    G   7          2H5*        G   7  -5.753  -0.166   7.281
   70    H4*    G   7           H4*        G   7  -3.439   0.066   7.602
   71    H3*    G   7           H3*        G   7  -4.865   2.403   6.504
   72    H1*    G   7           H1*        G   7  -1.133   1.278   5.606
   73    H8     G   7           H8         G   7  -4.209   1.909   3.263
   74    H1     G   7           H1         G   7   1.512   1.588   0.380
   75   1H2     G   7          1H2         G   7   3.093   1.194   1.861
   76   2H2     G   7          2H2         G   7   2.758   1.006   3.568
   77   1H2*    G   7          1H2*        G   7  -3.268   3.220   5.159
   78   2H2*    G   7          2H2*        G   7  -2.046   3.078   6.560
   79   1H5*    G   8          1H5*        G   8  -0.986   2.512   8.667
   80   2H5*    G   8          2H5*        G   8  -0.853   3.821   9.858
   81    H4*    G   8           H4*        G   8   1.301   3.424   8.646
   82    H3*    G   8           H3*        G   8  -0.096   5.882   9.110
   83    H1*    G   8           H1*        G   8   1.830   4.979   5.765
   84    H8     G   8           H8         G   8  -2.082   5.193   5.729
   85    H1     G   8           H1         G   8   0.836   5.785   0.047
   86   1H2     G   8          1H2         G   8   3.022   5.652   0.294
   87   2H2     G   8          2H2         G   8   3.779   5.417   1.852
   88   1H2*    G   8          1H2*        G   8  -0.405   6.565   6.958
   89   2H2*    G   8          2H2*        G   8   1.435   6.852   6.984
   90   1H5*    G   9          1H5*        G   9   5.241   7.139   8.247
   91   2H5*    G   9          2H5*        G   9   4.768   8.740   8.852
   92    H4*    G   9           H4*        G   9   6.144   8.480   6.571
   93    H3*    G   9           H3*        G   9   4.086  10.373   7.611
   94    H1*    G   9           H1*        G   9   4.803   9.168   3.902
   95    H8     G   9           H8         G   9   1.425   8.698   5.811
   96    H1     G   9           H1         G   9   0.998   9.244  -0.569
   97   1H2     G   9          1H2         G   9   2.986   9.620  -1.436
   98   2H2     G   9          2H2         G   9   4.433   9.739  -0.459
   99   1H2*    G   9          1H2*        G   9   3.169  10.906   5.629
  100   2H2*    G   9          2H2*        G   9   4.876  11.161   4.925
  101   1H5*    T  10          1H5*        T  10   7.683  12.044   4.373
  102   2H5*    T  10          2H5*        T  10   7.704  13.709   4.987
  103    H4*    T  10           H4*        T  10   7.611  13.409   2.416
  104    H3*    T  10           H3*        T  10   6.127  15.190   4.266
  105   1H2*    T  10          1H2*        T  10   4.197  15.293   3.117
  106   2H2*    T  10          2H2*        T  10   5.174  15.731   1.590
  107    H1*    T  10           H1*        T  10   4.981  13.638   0.796
  108    H3     T  10           H3         T  10   0.652  12.659   0.344
  109   1H5M    T  10          1H5M        T  10   0.984  11.322   5.090
  110   2H5M    T  10          2H5M        T  10   0.083  12.857   5.043
  111   3H5M    T  10          3H5M        T  10   1.760  12.826   5.638
  112    H6     T  10           H6         T  10   3.512  13.120   4.177
  113   1H5*    T  11          1H5*        T  11   7.424  16.592  -0.225
  114   2H5*    T  11          2H5*        T  11   7.547  18.360  -0.125
  115    H4*    T  11           H4*        T  11   6.374  17.437  -2.216
  116    H3*    T  11           H3*        T  11   5.659  19.614  -0.370
  117   1H2*    T  11          1H2*        T  11   3.428  19.350  -0.330
  118   2H2*    T  11          2H2*        T  11   3.434  19.389  -2.192
  119    H1*    T  11           H1*        T  11   3.145  17.172  -2.283
  120    H3     T  11           H3         T  11  -0.509  15.976  -0.025
  121   1H5M    T  11          1H5M        T  11   1.626  17.707   3.956
  122   2H5M    T  11          2H5M        T  11   3.325  17.354   3.561
  123   3H5M    T  11          3H5M        T  11   2.208  16.026   3.964
  124    H6     T  11           H6         T  11   3.814  17.547   1.361
  125   1H5*    G  12          1H5*        G  12   3.623  20.526  -5.233
  126   2H5*    G  12          2H5*        G  12   4.122  22.209  -4.965
  127    H4*    G  12           H4*        G  12   1.731  21.915  -5.808
  128    H3*    G  12           H3*        G  12   2.815  23.501  -3.592
  129    H1*    G  12           H1*        G  12  -0.727  21.661  -3.597
  130    H8     G  12           H8         G  12   2.238  21.396  -1.053
  131    H1     G  12           H1         G  12  -3.261  18.606   0.722
  132   1H2     G  12          1H2         G  12  -4.764  18.802  -0.876
  133   2H2     G  12          2H2         G  12  -4.432  19.616  -2.388
  134    H3T    G  12           H3T        G  12   0.741  24.654  -4.802
  135   1H2*    G  12          1H2*        G  12   1.195  23.267  -2.086
  136   2H2*    G  12          2H2*        G  12  -0.050  23.776  -3.377
  137   1H5*    C  13          1H5*        C  13 -10.510  17.922   4.621
  138   2H5*    C  13          2H5*        C  13 -11.926  16.937   4.167
  139    H4*    C  13           H4*        C  13 -11.248  17.782   2.089
  140    H3*    C  13           H3*        C  13 -10.269  15.102   2.739
  141    H1*    C  13           H1*        C  13  -8.311  17.923   0.705
  142   1H4     C  13          1H4         C  13  -2.409  17.882   3.012
  143   2H4     C  13          2H4         C  13  -2.934  17.156   4.513
  144    H5     C  13           H5         C  13  -5.222  16.546   4.956
  145    H6     C  13           H6         C  13  -7.503  16.514   4.059
  146    H5T    C  13           H5T        C  13 -10.846  15.161   4.570
  147   1H2*    C  13          1H2*        C  13  -8.148  15.284   2.019
  148   2H2*    C  13          2H2*        C  13  -8.833  15.769   0.354
  149   1H5*    A  14          1H5*        A  14 -10.793  16.163  -1.889
  150   2H5*    A  14          2H5*        A  14 -11.029  14.651  -2.789
  151    H4*    A  14           H4*        A  14  -9.252  16.307  -3.702
  152    H3*    A  14           H3*        A  14  -9.269  13.372  -3.364
  153    H1*    A  14           H1*        A  14  -6.238  15.918  -3.213
  154    H8     A  14           H8         A  14  -7.276  13.740  -0.130
  155   1H6     A  14          1H6         A  14  -1.355  14.328   1.564
  156   2H6     A  14          2H6         A  14  -2.921  13.683   2.001
  157    H2     A  14           H2         A  14  -1.875  16.380  -2.393
  158   1H2*    A  14          1H2*        A  14  -7.111  13.111  -2.779
  159   2H2*    A  14          2H2*        A  14  -6.648  14.010  -4.345
  160   1H5*    A  15          1H5*        A  15  -6.597  15.353  -7.042
  161   2H5*    A  15          2H5*        A  15  -6.460  13.998  -8.181
  162    H4*    A  15           H4*        A  15  -4.273  15.255  -7.606
  163    H3*    A  15           H3*        A  15  -4.917  12.434  -7.961
  164    H1*    A  15           H1*        A  15  -2.270  14.068  -5.542
  165    H8     A  15           H8         A  15  -5.339  12.242  -3.930
  166   1H6     A  15          1H6         A  15  -1.629  11.559   0.971
  167   2H6     A  15          2H6         A  15  -3.232  11.286   0.329
  168    H2     A  15           H2         A  15   0.703  13.629  -2.256
  169   1H2*    A  15          1H2*        A  15  -3.949  11.638  -6.069
  170   2H2*    A  15          2H2*        A  15  -2.344  12.193  -6.837
  171   1H5*    C  16          1H5*        C  16   0.212  13.542  -8.436
  172   2H5*    C  16          2H5*        C  16   0.466  12.145  -9.502
  173    H4*    C  16           H4*        C  16   2.103  12.420  -7.511
  174    H3*    C  16           H3*        C  16   0.664  10.056  -8.590
  175    H1*    C  16           H1*        C  16   2.082  10.922  -5.036
  176   1H4     C  16          1H4         C  16  -1.869   8.893  -0.515
  177   2H4     C  16          2H4         C  16  -3.234   8.919  -1.609
  178    H5     C  16           H5         C  16  -3.049   9.521  -3.935
  179    H6     C  16           H6         C  16  -1.521  10.250  -5.708
  180   1H2*    C  16          1H2*        C  16   0.354   9.031  -6.601
  181   2H2*    C  16          2H2*        C  16   2.205   9.083  -6.385
  182   1H5*    C  17          1H5*        C  17   5.307   9.814  -6.954
  183   2H5*    C  17          2H5*        C  17   5.970   8.338  -7.688
  184    H4*    C  17           H4*        C  17   6.492   8.770  -5.176
  185    H3*    C  17           H3*        C  17   5.604   6.307  -6.629
  186    H1*    C  17           H1*        C  17   5.174   7.463  -2.879
  187   1H4     C  17          1H4         C  17  -0.525   5.318  -1.109
  188   2H4     C  17          2H4         C  17  -1.112   5.353  -2.757
  189    H5     C  17           H5         C  17   0.262   5.971  -4.635
  190    H6     C  17           H6         C  17   2.488   6.718  -5.339
  191   1H2*    C  17          1H2*        C  17   4.628   5.324  -4.856
  192   2H2*    C  17          2H2*        C  17   6.154   5.680  -3.847
  193   1H5*    C  18          1H5*        C  18   8.422   5.952  -2.802
  194   2H5*    C  18          2H5*        C  18   9.486   4.585  -3.190
  195    H4*    C  18           H4*        C  18   8.421   4.580  -0.840
  196    H3*    C  18           H3*        C  18   8.591   2.418  -2.903
  197    H1*    C  18           H1*        C  18   6.044   3.075   0.037
  198   1H4     C  18          1H4         C  18   0.355   1.354  -2.159
  199   2H4     C  18          2H4         C  18   0.931   1.322  -3.811
  200    H5     C  18           H5         C  18   3.207   1.816  -4.424
  201    H6     C  18           H6         C  18   5.417   2.470  -3.592
  202   1H2*    C  18          1H2*        C  18   6.789   1.269  -2.193
  203   2H2*    C  18          2H2*        C  18   7.438   1.374  -0.449
  204   1H5*    T  19          1H5*        T  19   9.284   1.403   2.040
  205   2H5*    T  19          2H5*        T  19  10.275  -0.056   1.834
  206    H4*    T  19           H4*        T  19   8.388  -0.184   3.593
  207    H3*    T  19           H3*        T  19   9.228  -2.063   1.458
  208   1H2*    T  19          1H2*        T  19   7.208  -2.932   0.994
  209   2H2*    T  19          2H2*        T  19   6.972  -3.253   2.813
  210    H1*    T  19           H1*        T  19   5.621  -1.469   3.011
  211    H3     T  19           H3         T  19   2.092  -1.679   0.299
  212   1H5M    T  19          1H5M        T  19   5.387  -0.271  -3.168
  213   2H5M    T  19          2H5M        T  19   4.896  -1.956  -3.472
  214   3H5M    T  19          3H5M        T  19   6.509  -1.605  -2.805
  215    H6     T  19           H6         T  19   6.809  -1.261  -0.518
  216   1H5*    G  20          1H5*        G  20   7.458  -2.705   5.233
  217   2H5*    G  20          2H5*        G  20   8.145  -3.894   6.357
  218    H4*    G  20           H4*        G  20   5.731  -3.604   6.794
  219    H3*    G  20           H3*        G  20   7.122  -6.040   6.315
  220    H1*    G  20           H1*        G  20   3.511  -5.250   4.936
  221    H8     G  20           H8         G  20   6.468  -5.432   2.372
  222    H1     G  20           H1         G  20   0.562  -5.871  -0.090
  223   1H2     G  20          1H2         G  20  -0.944  -5.727   1.510
  224   2H2     G  20          2H2         G  20  -0.513  -5.522   3.193
  225   1H2*    G  20          1H2*        G  20   6.081  -6.690   4.376
  226   2H2*    G  20          2H2*        G  20   4.684  -7.108   5.535
  227   1H5*    G  21          1H5*        G  21   2.491  -6.334   8.555
  228   2H5*    G  21          2H5*        G  21   2.775  -7.851   9.433
  229    H4*    G  21           H4*        G  21   0.414  -7.546   8.471
  230    H3*    G  21           H3*        G  21   2.278  -9.829   8.386
  231    H1*    G  21           H1*        G  21  -0.353  -8.782   5.570
  232    H8     G  21           H8         G  21   3.542  -9.018   5.226
  233    H1     G  21           H1         G  21   0.185  -9.548  -0.215
  234   1H2     G  21          1H2         G  21  -1.973  -9.436   0.205
  235   2H2     G  21          2H2         G  21  -2.607  -9.231   1.822
  236   1H2*    G  21          1H2*        G  21   1.759 -10.652   6.361
  237   2H2*    G  21          2H2*        G  21  -0.043 -10.597   6.837
  238   1H5*    T  22          1H5*        T  22  -2.372 -10.123   8.279
  239   2H5*    T  22          2H5*        T  22  -2.976 -11.698   8.834
  240    H4*    T  22           H4*        T  22  -4.000 -10.750   6.649
  241    H3*    T  22           H3*        T  22  -3.027 -13.456   7.380
  242   1H2*    T  22          1H2*        T  22  -2.275 -14.051   5.342
  243   2H2*    T  22          2H2*        T  22  -3.952 -13.617   4.657
  244    H1*    T  22           H1*        T  22  -3.200 -11.637   3.872
  245    H3     T  22           H3         T  22  -0.173 -12.889   0.815
  246   1H5M    T  22          1H5M        T  22   2.664 -14.126   4.603
  247   2H5M    T  22          2H5M        T  22   2.211 -12.785   5.683
  248   3H5M    T  22          3H5M        T  22   3.160 -12.460   4.212
  249    H6     T  22           H6         T  22  -0.039 -12.482   5.601
  250   1H5*    T  23          1H5*        T  23  -6.422 -12.749   4.137
  251   2H5*    T  23          2H5*        T  23  -7.664 -13.925   4.612
  252    H4*    T  23           H4*        T  23  -7.524 -13.738   2.142
  253    H3*    T  23           H3*        T  23  -7.184 -16.152   3.758
  254   1H2*    T  23          1H2*        T  23  -5.487 -17.135   2.664
  255   2H2*    T  23          2H2*        T  23  -6.499 -17.008   1.104
  256    H1*    T  23           H1*        T  23  -5.226 -15.321   0.367
  257    H3     T  23           H3         T  23  -0.859 -16.208   0.251
  258   1H5M    T  23          1H5M        T  23  -2.467 -16.325   5.433
  259   2H5M    T  23          2H5M        T  23  -0.813 -15.784   5.052
  260   3H5M    T  23          3H5M        T  23  -1.244 -17.505   4.905
  261    H6     T  23           H6         T  23  -4.023 -15.877   3.853
  262   1H5*    G  24          1H5*        G  24  -8.945 -17.172  -0.868
  263   2H5*    G  24          2H5*        G  24  -9.957 -18.552  -0.393
  264    H4*    G  24           H4*        G  24  -8.518 -18.963  -2.447
  265    H3*    G  24           H3*        G  24  -8.921 -20.561  -0.044
  266    H1*    G  24           H1*        G  24  -5.522 -20.253  -2.093
  267    H8     G  24           H8         G  24  -6.038 -19.366   1.688
  268    H1     G  24           H1         G  24   0.044 -19.765  -0.317
  269   1H2     G  24          1H2         G  24   0.108 -20.218  -2.471
  270   2H2     G  24          2H2         G  24  -1.338 -20.426  -3.433
  271    H3T    G  24           H3T        G  24  -8.345 -21.493  -2.663
  272   1H2*    G  24          1H2*        G  24  -6.828 -21.206   0.379
  273   2H2*    G  24          2H2*        G  24  -6.780 -21.946  -1.331
  Start of MODEL    6
    1   1H5*    C   1          1H5*        C   1   7.616 -22.801  -2.607
    2   2H5*    C   1          2H5*        C   1   8.918 -22.350  -3.738
    3    H4*    C   1           H4*        C   1   7.017 -22.052  -5.072
    4    H3*    C   1           H3*        C   1   8.070 -19.653  -3.824
    5    H1*    C   1           H1*        C   1   4.180 -20.466  -4.300
    6   1H4     C   1          1H4         C   1   1.470 -19.336   1.314
    7   2H4     C   1          2H4         C   1   3.013 -19.368   2.138
    8    H5     C   1           H5         C   1   5.103 -19.777   1.011
    9    H6     C   1           H6         C   1   6.168 -20.211  -1.153
   10    H5T    C   1           H5T        C   1   9.352 -21.210  -1.956
   11   1H2*    C   1          1H2*        C   1   6.188 -18.756  -2.978
   12   2H2*    C   1          2H2*        C   1   5.530 -18.727  -4.722
   13   1H5*    A   2          1H5*        A   2   5.509 -19.032  -8.099
   14   2H5*    A   2          2H5*        A   2   6.005 -17.412  -8.627
   15    H4*    A   2           H4*        A   2   3.463 -17.955  -8.668
   16    H3*    A   2           H3*        A   2   4.988 -15.574  -7.755
   17    H1*    A   2           H1*        A   2   1.575 -16.983  -6.238
   18    H8     A   2           H8         A   2   5.034 -16.397  -4.487
   19   1H6     A   2          1H6         A   2   1.696 -16.062   0.711
   20   2H6     A   2          2H6         A   2   3.305 -16.016   0.026
   21    H2     A   2           H2         A   2  -1.133 -16.701  -2.715
   22   1H2*    A   2          1H2*        A   2   3.560 -14.850  -6.180
   23   2H2*    A   2          2H2*        A   2   2.132 -15.127  -7.346
   24   1H5*    A   3          1H5*        A   3   0.745 -15.426  -9.675
   25   2H5*    A   3          2H5*        A   3   0.368 -13.839 -10.379
   26    H4*    A   3           H4*        A   3  -1.449 -14.897  -8.878
   27    H3*    A   3           H3*        A   3  -0.436 -12.183  -9.159
   28    H1*    A   3           H1*        A   3  -1.651 -13.935  -5.797
   29    H8     A   3           H8         A   3   2.134 -13.087  -6.317
   30   1H6     A   3          1H6         A   3   2.300 -12.646  -0.148
   31   2H6     A   3          2H6         A   3   3.240 -12.592  -1.623
   32    H2     A   3           H2         A   3  -1.934 -13.501  -1.362
   33   1H2*    A   3          1H2*        A   3  -0.119 -11.676  -6.984
   34   2H2*    A   3          2H2*        A   3  -1.955 -11.925  -6.782
   35   1H5*    C   4          1H5*        C   4  -5.011 -12.444  -6.975
   36   2H5*    C   4          2H5*        C   4  -5.593 -10.847  -7.492
   37    H4*    C   4           H4*        C   4  -5.850 -11.435  -4.981
   38    H3*    C   4           H3*        C   4  -4.931  -8.986  -6.371
   39    H1*    C   4           H1*        C   4  -4.077 -10.444  -2.814
   40   1H4     C   4          1H4         C   4   2.082  -9.551  -1.617
   41   2H4     C   4          2H4         C   4   2.467  -9.494  -3.322
   42    H5     C   4           H5         C   4   0.804  -9.650  -5.057
   43    H6     C   4           H6         C   4  -1.584  -9.932  -5.533
   44   1H2*    C   4          1H2*        C   4  -3.362  -8.386  -4.864
   45   2H2*    C   4          2H2*        C   4  -4.712  -8.399  -3.577
   46   1H5*    C   5          1H5*        C   5  -7.550  -8.600  -2.320
   47   2H5*    C   5          2H5*        C   5  -8.476  -7.100  -2.527
   48    H4*    C   5           H4*        C   5  -7.521  -7.456  -0.188
   49    H3*    C   5           H3*        C   5  -7.532  -5.115  -1.924
   50    H1*    C   5           H1*        C   5  -4.756  -6.207   0.670
   51   1H4     C   5          1H4         C   5   1.013  -5.763  -1.913
   52   2H4     C   5          2H4         C   5   0.357  -5.779  -3.536
   53    H5     C   5           H5         C   5  -2.002  -5.893  -4.004
   54    H6     C   5           H6         C   5  -4.242  -6.048  -3.023
   55   1H2*    C   5          1H2*        C   5  -5.348  -4.538  -1.738
   56   2H2*    C   5          2H2*        C   5  -5.721  -4.245   0.065
   57   1H5*    A   6          1H5*        A   6  -7.439  -4.562   3.158
   58   2H5*    A   6          2H5*        A   6  -8.549  -3.174   3.149
   59    H4*    A   6           H4*        A   6  -6.756  -3.097   4.961
   60    H3*    A   6           H3*        A   6  -7.677  -1.068   3.078
   61    H1*    A   6           H1*        A   6  -3.848  -1.547   4.197
   62    H8     A   6           H8         A   6  -5.419  -1.466   0.618
   63   1H6     A   6          1H6         A   6   0.443  -1.634  -1.354
   64   2H6     A   6          2H6         A   6  -1.236  -1.536  -1.834
   65    H2     A   6           H2         A   6   0.476  -1.931   3.126
   66   1H2*    A   6          1H2*        A   6  -5.729  -0.152   2.445
   67   2H2*    A   6          2H2*        A   6  -5.333   0.120   4.246
   68   1H5*    G   7          1H5*        G   7  -5.357  -0.623   6.464
   69   2H5*    G   7          2H5*        G   7  -5.998   0.305   7.836
   70    H4*    G   7           H4*        G   7  -3.670   0.460   8.173
   71    H3*    G   7           H3*        G   7  -5.038   2.777   6.977
   72    H1*    G   7           H1*        G   7  -1.330   1.542   6.114
   73    H8     G   7           H8         G   7  -4.407   2.087   3.751
   74    H1     G   7           H1         G   7   1.298   1.531   0.870
   75   1H2     G   7          1H2         G   7   2.878   1.196   2.364
   76   2H2     G   7          2H2         G   7   2.549   1.106   4.081
   77   1H2*    G   7          1H2*        G   7  -3.443   3.484   5.571
   78   2H2*    G   7          2H2*        G   7  -2.214   3.406   6.969
   79   1H5*    G   8          1H5*        G   8  -1.136   2.912   9.070
   80   2H5*    G   8          2H5*        G   8  -0.970   4.255  10.219
   81    H4*    G   8           H4*        G   8   1.166   3.802   9.009
   82    H3*    G   8           H3*        G   8  -0.221   6.293   9.349
   83    H1*    G   8           H1*        G   8   1.713   5.195   6.066
   84    H8     G   8           H8         G   8  -2.195   5.468   6.003
   85    H1     G   8           H1         G   8   0.752   5.769   0.313
   86   1H2     G   8          1H2         G   8   2.934   5.619   0.576
   87   2H2     G   8          2H2         G   8   3.683   5.443   2.147
   88   1H2*    G   8          1H2*        G   8  -0.491   6.887   7.168
   89   2H2*    G   8          2H2*        G   8   1.356   7.131   7.193
   90   1H5*    G   9          1H5*        G   9   5.130   7.462   8.440
   91   2H5*    G   9          2H5*        G   9   4.668   9.087   8.984
   92    H4*    G   9           H4*        G   9   6.036   8.736   6.712
   93    H3*    G   9           H3*        G   9   3.971  10.668   7.670
   94    H1*    G   9           H1*        G   9   4.711   9.310   4.021
   95    H8     G   9           H8         G   9   1.318   8.914   5.917
   96    H1     G   9           H1         G   9   0.940   9.239  -0.480
   97   1H2     G   9          1H2         G   9   2.935   9.585  -1.344
   98   2H2     G   9          2H2         G   9   4.375   9.739  -0.360
   99   1H2*    G   9          1H2*        G   9   3.068  11.124   5.662
  100   2H2*    G   9          2H2*        G   9   4.780  11.346   4.959
  101   1H5*    T  10          1H5*        T  10   7.605  12.162   4.415
  102   2H5*    T  10          2H5*        T  10   7.648  13.857   4.942
  103    H4*    T  10           H4*        T  10   7.594  13.425   2.389
  104    H3*    T  10           H3*        T  10   6.105  15.325   4.116
  105   1H2*    T  10          1H2*        T  10   4.202  15.401   2.922
  106   2H2*    T  10          2H2*        T  10   5.219  15.742   1.395
  107    H1*    T  10           H1*        T  10   5.004  13.613   0.707
  108    H3     T  10           H3         T  10   0.665  12.700   0.211
  109   1H5M    T  10          1H5M        T  10   1.651  13.130   5.511
  110   2H5M    T  10          2H5M        T  10   0.915  11.581   5.035
  111   3H5M    T  10          3H5M        T  10  -0.010  13.093   4.874
  112    H6     T  10           H6         T  10   3.456  13.289   4.078
  113   1H5*    T  11          1H5*        T  11   7.528  16.459  -0.412
  114   2H5*    T  11          2H5*        T  11   7.687  18.227  -0.403
  115    H4*    T  11           H4*        T  11   6.547  17.220  -2.472
  116    H3*    T  11           H3*        T  11   5.829  19.503  -0.759
  117   1H2*    T  11          1H2*        T  11   3.592  19.294  -0.776
  118   2H2*    T  11          2H2*        T  11   3.655  19.224  -2.637
  119    H1*    T  11           H1*        T  11   3.311  17.014  -2.606
  120    H3     T  11           H3         T  11  -0.418  16.030  -0.367
  121   1H5M    T  11          1H5M        T  11   3.376  17.506   3.222
  122   2H5M    T  11          2H5M        T  11   2.215  16.235   3.672
  123   3H5M    T  11          3H5M        T  11   1.681  17.930   3.559
  124    H6     T  11           H6         T  11   3.914  17.573   1.026
  125   1H5*    G  12          1H5*        G  12   3.882  20.091  -5.809
  126   2H5*    G  12          2H5*        G  12   4.455  21.758  -5.597
  127    H4*    G  12           H4*        G  12   2.070  21.527  -6.493
  128    H3*    G  12           H3*        G  12   3.179  23.173  -4.328
  129    H1*    G  12           H1*        G  12  -0.446  21.496  -4.309
  130    H8     G  12           H8         G  12   2.482  21.300  -1.718
  131    H1     G  12           H1         G  12  -3.115  18.780   0.152
  132   1H2     G  12          1H2         G  12  -4.594  18.916  -1.474
  133   2H2     G  12          2H2         G  12  -4.220  19.626  -3.029
  134    H3T    G  12           H3T        G  12   1.186  24.332  -5.693
  135   1H2*    G  12          1H2*        G  12   1.497  23.130  -2.872
  136   2H2*    G  12          2H2*        G  12   0.319  23.591  -4.241
  137   1H5*    C  13          1H5*        C  13 -10.490  18.563   3.946
  138   2H5*    C  13          2H5*        C  13 -11.873  17.513   3.543
  139    H4*    C  13           H4*        C  13 -11.142  18.247   1.428
  140    H3*    C  13           H3*        C  13 -10.244  15.593   2.280
  141    H1*    C  13           H1*        C  13  -8.182  18.218   0.090
  142   1H4     C  13          1H4         C  13  -2.321  18.191   2.502
  143   2H4     C  13          2H4         C  13  -2.885  17.550   4.029
  144    H5     C  13           H5         C  13  -5.197  17.045   4.476
  145    H6     C  13           H6         C  13  -7.464  17.013   3.544
  146    H5T    C  13           H5T        C  13 -10.807  15.841   4.221
  147   1H2*    C  13          1H2*        C  13  -8.110  15.669   1.578
  148   2H2*    C  13          2H2*        C  13  -8.758  16.061  -0.125
  149   1H5*    A  14          1H5*        A  14 -10.686  16.356  -2.400
  150   2H5*    A  14          2H5*        A  14 -10.941  14.802  -3.221
  151    H4*    A  14           H4*        A  14  -9.112  16.370  -4.189
  152    H3*    A  14           H3*        A  14  -9.202  13.458  -3.695
  153    H1*    A  14           H1*        A  14  -6.118  15.942  -3.628
  154    H8     A  14           H8         A  14  -7.251  13.955  -0.453
  155   1H6     A  14          1H6         A  14  -1.341  14.490   1.300
  156   2H6     A  14          2H6         A  14  -2.932  13.923   1.754
  157    H2     A  14           H2         A  14  -1.756  16.347  -2.765
  158   1H2*    A  14          1H2*        A  14  -7.059  13.182  -3.063
  159   2H2*    A  14          2H2*        A  14  -6.552  13.986  -4.665
  160   1H5*    A  15          1H5*        A  15  -6.429  15.180  -7.424
  161   2H5*    A  15          2H5*        A  15  -6.304  13.766  -8.490
  162    H4*    A  15           H4*        A  15  -4.100  15.000  -7.944
  163    H3*    A  15           H3*        A  15  -4.801  12.180  -8.160
  164    H1*    A  15           H1*        A  15  -2.157  13.885  -5.788
  165    H8     A  15           H8         A  15  -5.289  12.212  -4.133
  166   1H6     A  15          1H6         A  15  -1.667  11.704   0.856
  167   2H6     A  15          2H6         A  15  -3.268  11.437   0.205
  168    H2     A  15           H2         A  15   0.759  13.552  -2.437
  169   1H2*    A  15          1H2*        A  15  -3.877  11.463  -6.215
  170   2H2*    A  15          2H2*        A  15  -2.249  11.945  -6.984
  171   1H5*    C  16          1H5*        C  16   0.357  13.148  -8.602
  172   2H5*    C  16          2H5*        C  16   0.598  11.693  -9.588
  173    H4*    C  16           H4*        C  16   2.207  12.035  -7.585
  174    H3*    C  16           H3*        C  16   0.726   9.648  -8.560
  175    H1*    C  16           H1*        C  16   2.125  10.680  -5.045
  176   1H4     C  16          1H4         C  16  -1.893   8.959  -0.456
  177   2H4     C  16          2H4         C  16  -3.253   8.977  -1.557
  178    H5     C  16           H5         C  16  -3.043   9.460  -3.909
  179    H6     C  16           H6         C  16  -1.488  10.063  -5.705
  180   1H2*    C  16          1H2*        C  16   0.375   8.739  -6.523
  181   2H2*    C  16          2H2*        C  16   2.224   8.765  -6.288
  182   1H5*    C  17          1H5*        C  17   5.341   9.395  -6.847
  183   2H5*    C  17          2H5*        C  17   5.980   7.875  -7.507
  184    H4*    C  17           H4*        C  17   6.491   8.404  -5.014
  185    H3*    C  17           H3*        C  17   5.554   5.900  -6.362
  186    H1*    C  17           H1*        C  17   5.133   7.238  -2.672
  187   1H4     C  17          1H4         C  17  -0.626   5.333  -0.825
  188   2H4     C  17          2H4         C  17  -1.202   5.280  -2.476
  189    H5     C  17           H5         C  17   0.185   5.804  -4.375
  190    H6     C  17           H6         C  17   2.430   6.461  -5.104
  191   1H2*    C  17          1H2*        C  17   4.537   5.025  -4.556
  192   2H2*    C  17          2H2*        C  17   6.065   5.385  -3.550
  193   1H5*    C  18          1H5*        C  18   8.289   5.662  -2.477
  194   2H5*    C  18          2H5*        C  18   9.374   4.300  -2.825
  195    H4*    C  18           H4*        C  18   8.338   4.317  -0.480
  196    H3*    C  18           H3*        C  18   8.423   2.123  -2.513
  197    H1*    C  18           H1*        C  18   5.947   2.876   0.464
  198   1H4     C  18          1H4         C  18   0.180   1.259  -1.606
  199   2H4     C  18          2H4         C  18   0.736   1.148  -3.260
  200    H5     C  18           H5         C  18   3.007   1.597  -3.924
  201    H6     C  18           H6         C  18   5.244   2.219  -3.143
  202   1H2*    C  18          1H2*        C  18   6.616   1.020  -1.748
  203   2H2*    C  18          2H2*        C  18   7.300   1.141  -0.019
  204   1H5*    T  19          1H5*        T  19   9.164   1.113   2.447
  205   2H5*    T  19          2H5*        T  19  10.154  -0.340   2.198
  206    H4*    T  19           H4*        T  19   8.314  -0.513   3.992
  207    H3*    T  19           H3*        T  19   9.074  -2.339   1.781
  208   1H2*    T  19          1H2*        T  19   7.036  -3.189   1.365
  209   2H2*    T  19          2H2*        T  19   6.853  -3.546   3.185
  210    H1*    T  19           H1*        T  19   5.521  -1.759   3.458
  211    H3     T  19           H3         T  19   1.915  -1.858   0.842
  212   1H5M    T  19          1H5M        T  19   6.252  -1.775  -2.378
  213   2H5M    T  19          2H5M        T  19   5.121  -0.436  -2.692
  214   3H5M    T  19          3H5M        T  19   4.622  -2.116  -3.007
  215    H6     T  19           H6         T  19   6.614  -1.493  -0.097
  216   1H5*    G  20          1H5*        G  20   7.434  -3.149   5.683
  217   2H5*    G  20          2H5*        G  20   8.200  -4.426   6.650
  218    H4*    G  20           H4*        G  20   5.820  -4.194   7.271
  219    H3*    G  20           H3*        G  20   7.188  -6.564   6.518
  220    H1*    G  20           H1*        G  20   3.501  -5.723   5.365
  221    H8     G  20           H8         G  20   6.373  -5.718   2.701
  222    H1     G  20           H1         G  20   0.385  -5.734   0.399
  223   1H2     G  20          1H2         G  20  -1.068  -5.681   2.052
  224   2H2     G  20          2H2         G  20  -0.581  -5.641   3.732
  225   1H2*    G  20          1H2*        G  20   6.064  -7.060   4.579
  226   2H2*    G  20          2H2*        G  20   4.726  -7.595   5.762
  227   1H5*    G  21          1H5*        G  21   2.727  -7.077   8.951
  228   2H5*    G  21          2H5*        G  21   2.977  -8.685   9.662
  229    H4*    G  21           H4*        G  21   0.603  -8.185   8.803
  230    H3*    G  21           H3*        G  21   2.363 -10.529   8.462
  231    H1*    G  21           H1*        G  21  -0.290  -9.124   5.829
  232    H8     G  21           H8         G  21   3.582  -9.490   5.367
  233    H1     G  21           H1         G  21   0.084  -9.476  -0.011
  234   1H2     G  21          1H2         G  21  -2.058  -9.319   0.473
  235   2H2     G  21          2H2         G  21  -2.647  -9.216   2.116
  236   1H2*    G  21          1H2*        G  21   1.731 -11.161   6.401
  237   2H2*    G  21          2H2*        G  21  -0.049 -11.046   6.941
  238   1H5*    T  22          1H5*        T  22  -2.407 -10.774   8.402
  239   2H5*    T  22          2H5*        T  22  -2.885 -12.420   8.867
  240    H4*    T  22           H4*        T  22  -4.035 -11.407   6.775
  241    H3*    T  22           H3*        T  22  -2.869 -14.080   7.310
  242   1H2*    T  22          1H2*        T  22  -2.136 -14.503   5.225
  243   2H2*    T  22          2H2*        T  22  -3.855 -14.137   4.604
  244    H1*    T  22           H1*        T  22  -3.246 -12.073   3.922
  245    H3     T  22           H3         T  22  -0.208 -12.938   0.745
  246   1H5M    T  22          1H5M        T  22   2.881 -12.207   4.655
  247   2H5M    T  22          2H5M        T  22   3.092 -13.823   3.940
  248   3H5M    T  22          3H5M        T  22   2.231 -13.640   5.486
  249    H6     T  22           H6         T  22  -0.002 -12.808   5.544
  250   1H5*    T  23          1H5*        T  23  -6.349 -13.403   4.175
  251   2H5*    T  23          2H5*        T  23  -7.517 -14.669   4.604
  252    H4*    T  23           H4*        T  23  -7.446 -14.352   2.151
  253    H3*    T  23           H3*        T  23  -6.896 -16.821   3.619
  254   1H2*    T  23          1H2*        T  23  -5.169 -17.622   2.427
  255   2H2*    T  23          2H2*        T  23  -6.232 -17.476   0.902
  256    H1*    T  23           H1*        T  23  -5.100 -15.663   0.235
  257    H3     T  23           H3         T  23  -0.689 -16.241  -0.051
  258   1H5M    T  23          1H5M        T  23  -0.542 -16.077   4.773
  259   2H5M    T  23          2H5M        T  23  -0.823 -17.816   4.522
  260   3H5M    T  23          3H5M        T  23  -2.129 -16.786   5.154
  261    H6     T  23           H6         T  23  -3.755 -16.335   3.648
  262   1H5*    G  24          1H5*        G  24  -8.760 -17.731  -0.984
  263   2H5*    G  24          2H5*        G  24  -9.653 -19.205  -0.554
  264    H4*    G  24           H4*        G  24  -8.261 -19.403  -2.671
  265    H3*    G  24           H3*        G  24  -8.457 -21.146  -0.342
  266    H1*    G  24           H1*        G  24  -5.176 -20.481  -2.494
  267    H8     G  24           H8         G  24  -5.595 -19.831   1.346
  268    H1     G  24           H1         G  24   0.411 -19.691  -0.905
  269   1H2     G  24          1H2         G  24   0.419 -20.029  -3.082
  270   2H2     G  24          2H2         G  24  -1.049 -20.290  -3.997
  271    H3T    G  24           H3T        G  24  -7.928 -22.474  -2.590
  272   1H2*    G  24          1H2*        G  24  -6.307 -21.657  -0.032
  273   2H2*    G  24          2H2*        G  24  -6.275 -22.301  -1.781
  Start of MODEL    7
    1   1H5*    C   1          1H5*        C   1   7.506 -22.907  -2.861
    2   2H5*    C   1          2H5*        C   1   8.820 -22.301  -3.903
    3    H4*    C   1           H4*        C   1   6.887 -22.043  -5.242
    4    H3*    C   1           H3*        C   1   7.974 -19.682  -3.949
    5    H1*    C   1           H1*        C   1   4.073 -20.430  -4.443
    6   1H4     C   1          1H4         C   1   1.377 -19.355   1.188
    7   2H4     C   1          2H4         C   1   2.919 -19.426   2.011
    8    H5     C   1           H5         C   1   5.003 -19.843   0.879
    9    H6     C   1           H6         C   1   6.063 -20.256  -1.293
   10    H5T    C   1           H5T        C   1   9.080 -21.373  -1.924
   11   1H2*    C   1          1H2*        C   1   6.103 -18.772  -3.093
   12   2H2*    C   1          2H2*        C   1   5.449 -18.706  -4.837
   13   1H5*    A   2          1H5*        A   2   5.419 -18.961  -8.210
   14   2H5*    A   2          2H5*        A   2   5.939 -17.341  -8.716
   15    H4*    A   2           H4*        A   2   3.391 -17.845  -8.767
   16    H3*    A   2           H3*        A   2   4.949 -15.500  -7.814
   17    H1*    A   2           H1*        A   2   1.515 -16.883  -6.322
   18    H8     A   2           H8         A   2   4.979 -16.370  -4.562
   19   1H6     A   2          1H6         A   2   1.642 -16.072   0.640
   20   2H6     A   2          2H6         A   2   3.253 -16.045  -0.043
   21    H2     A   2           H2         A   2  -1.192 -16.625  -2.796
   22   1H2*    A   2          1H2*        A   2   3.528 -14.780  -6.230
   23   2H2*    A   2          2H2*        A   2   2.098 -15.020  -7.402
   24   1H5*    A   3          1H5*        A   3   0.723 -15.266  -9.740
   25   2H5*    A   3          2H5*        A   3   0.358 -13.667 -10.421
   26    H4*    A   3           H4*        A   3  -1.467 -14.730  -8.935
   27    H3*    A   3           H3*        A   3  -0.431 -12.022  -9.174
   28    H1*    A   3           H1*        A   3  -1.663 -13.815  -5.842
   29    H8     A   3           H8         A   3   2.129 -12.997  -6.343
   30   1H6     A   3          1H6         A   3   2.295 -12.665  -0.169
   31   2H6     A   3          2H6         A   3   3.230 -12.559  -1.642
   32    H2     A   3           H2         A   3  -1.950 -13.441  -1.402
   33   1H2*    A   3          1H2*        A   3  -0.110 -11.551  -6.992
   34   2H2*    A   3          2H2*        A   3  -1.949 -11.788  -6.794
   35   1H5*    C   4          1H5*        C   4  -5.009 -12.276  -6.997
   36   2H5*    C   4          2H5*        C   4  -5.576 -10.666  -7.490
   37    H4*    C   4           H4*        C   4  -5.840 -11.289  -4.988
   38    H3*    C   4           H3*        C   4  -4.897  -8.828  -6.341
   39    H1*    C   4           H1*        C   4  -4.062 -10.347  -2.806
   40   1H4     C   4          1H4         C   4   2.106  -9.544  -1.589
   41   2H4     C   4          2H4         C   4   2.490  -9.425  -3.292
   42    H5     C   4           H5         C   4   0.830  -9.569  -5.031
   43    H6     C   4           H6         C   4  -1.560  -9.823  -5.514
   44   1H2*    C   4          1H2*        C   4  -3.327  -8.264  -4.822
   45   2H2*    C   4          2H2*        C   4  -4.678  -8.286  -3.537
   46   1H5*    C   5          1H5*        C   5  -7.513  -8.483  -2.285
   47   2H5*    C   5          2H5*        C   5  -8.427  -6.974  -2.470
   48    H4*    C   5           H4*        C   5  -7.475  -7.371  -0.136
   49    H3*    C   5           H3*        C   5  -7.470  -5.005  -1.834
   50    H1*    C   5           H1*        C   5  -4.702  -6.156   0.741
   51   1H4     C   5          1H4         C   5   1.074  -5.741  -1.829
   52   2H4     C   5          2H4         C   5   0.419  -5.687  -3.451
   53    H5     C   5           H5         C   5  -1.939  -5.803  -3.926
   54    H6     C   5           H6         C   5  -4.182  -5.955  -2.949
   55   1H2*    C   5          1H2*        C   5  -5.279  -4.449  -1.647
   56   2H2*    C   5          2H2*        C   5  -5.648  -4.176   0.160
   57   1H5*    A   6          1H5*        A   6  -7.384  -4.487   3.288
   58   2H5*    A   6          2H5*        A   6  -8.480  -3.090   3.253
   59    H4*    A   6           H4*        A   6  -6.700  -3.012   5.080
   60    H3*    A   6           H3*        A   6  -7.588  -0.993   3.168
   61    H1*    A   6           H1*        A   6  -3.766  -1.493   4.308
   62    H8     A   6           H8         A   6  -5.357  -1.408   0.739
   63   1H6     A   6          1H6         A   6   0.490  -1.663  -1.267
   64   2H6     A   6          2H6         A   6  -1.191  -1.547  -1.738
   65    H2     A   6           H2         A   6   0.546  -1.949   3.212
   66   1H2*    A   6          1H2*        A   6  -5.629  -0.080   2.564
   67   2H2*    A   6          2H2*        A   6  -5.247   0.176   4.370
   68   1H5*    G   7          1H5*        G   7  -5.302  -0.543   6.587
   69   2H5*    G   7          2H5*        G   7  -5.949   0.418   7.933
   70    H4*    G   7           H4*        G   7  -3.618   0.543   8.290
   71    H3*    G   7           H3*        G   7  -4.954   2.863   7.064
   72    H1*    G   7           H1*        G   7  -1.252   1.588   6.225
   73    H8     G   7           H8         G   7  -4.327   2.143   3.862
   74    H1     G   7           H1         G   7   1.367   1.507   0.978
   75   1H2     G   7          1H2         G   7   2.947   1.166   2.473
   76   2H2     G   7          2H2         G   7   2.618   1.093   4.190
   77   1H2*    G   7          1H2*        G   7  -3.341   3.547   5.667
   78   2H2*    G   7          2H2*        G   7  -2.121   3.460   7.073
   79   1H5*    G   8          1H5*        G   8  -1.040   3.008   9.192
   80   2H5*    G   8          2H5*        G   8  -0.895   4.381  10.308
   81    H4*    G   8           H4*        G   8   1.253   3.910   9.120
   82    H3*    G   8           H3*        G   8  -0.148   6.399   9.412
   83    H1*    G   8           H1*        G   8   1.798   5.260   6.149
   84    H8     G   8           H8         G   8  -2.111   5.514   6.090
   85    H1     G   8           H1         G   8   0.824   5.724   0.389
   86   1H2     G   8          1H2         G   8   3.007   5.585   0.649
   87   2H2     G   8          2H2         G   8   3.758   5.441   2.220
   88   1H2*    G   8          1H2*        G   8  -0.411   6.958   7.222
   89   2H2*    G   8          2H2*        G   8   1.435   7.207   7.249
   90   1H5*    G   9          1H5*        G   9   5.195   7.598   8.487
   91   2H5*    G   9          2H5*        G   9   4.715   9.224   9.011
   92    H4*    G   9           H4*        G   9   6.081   8.862   6.741
   93    H3*    G   9           H3*        G   9   3.993  10.779   7.678
   94    H1*    G   9           H1*        G   9   4.750   9.384   4.047
   95    H8     G   9           H8         G   9   1.359   8.971   5.945
   96    H1     G   9           H1         G   9   0.984   9.205  -0.455
   97   1H2     G   9          1H2         G   9   2.976   9.565  -1.322
   98   2H2     G   9          2H2         G   9   4.412   9.750  -0.340
   99   1H2*    G   9          1H2*        G   9   3.082  11.198   5.665
  100   2H2*    G   9          2H2*        G   9   4.790  11.434   4.957
  101   1H5*    T  10          1H5*        T  10   7.608  12.285   4.400
  102   2H5*    T  10          2H5*        T  10   7.625  13.986   4.909
  103    H4*    T  10           H4*        T  10   7.577  13.527   2.360
  104    H3*    T  10           H3*        T  10   6.060  15.421   4.068
  105   1H2*    T  10          1H2*        T  10   4.158  15.459   2.870
  106   2H2*    T  10          2H2*        T  10   5.171  15.798   1.343
  107    H1*    T  10           H1*        T  10   4.989  13.659   0.677
  108    H3     T  10           H3         T  10   0.662  12.681   0.184
  109   1H5M    T  10          1H5M        T  10  -0.022  13.107   4.842
  110   2H5M    T  10          2H5M        T  10   1.638  13.176   5.481
  111   3H5M    T  10          3H5M        T  10   0.925  11.612   5.020
  112    H6     T  10           H6         T  10   3.442  13.345   4.049
  113   1H5*    T  11          1H5*        T  11   7.470  16.533  -0.465
  114   2H5*    T  11          2H5*        T  11   7.605  18.303  -0.475
  115    H4*    T  11           H4*        T  11   6.481  17.258  -2.534
  116    H3*    T  11           H3*        T  11   5.732  19.550  -0.848
  117   1H2*    T  11          1H2*        T  11   3.498  19.306  -0.856
  118   2H2*    T  11          2H2*        T  11   3.559  19.223  -2.718
  119    H1*    T  11           H1*        T  11   3.249  17.007  -2.669
  120    H3     T  11           H3         T  11  -0.470  15.991  -0.428
  121   1H5M    T  11          1H5M        T  11   2.156  16.264   3.613
  122   2H5M    T  11          2H5M        T  11   1.592  17.948   3.488
  123   3H5M    T  11          3H5M        T  11   3.297  17.552   3.155
  124    H6     T  11           H6         T  11   3.838  17.605   0.960
  125   1H5*    G  12          1H5*        G  12   3.777  20.046  -5.890
  126   2H5*    G  12          2H5*        G  12   4.317  21.728  -5.708
  127    H4*    G  12           H4*        G  12   1.938  21.437  -6.598
  128    H3*    G  12           H3*        G  12   3.014  23.140  -4.463
  129    H1*    G  12           H1*        G  12  -0.578  21.393  -4.420
  130    H8     G  12           H8         G  12   2.342  21.272  -1.816
  131    H1     G  12           H1         G  12  -3.225  18.700   0.066
  132   1H2     G  12          1H2         G  12  -4.700  18.796  -1.567
  133   2H2     G  12          2H2         G  12  -4.330  19.490  -3.129
  134    H3T    G  12           H3T        G  12   0.889  23.992  -6.031
  135   1H2*    G  12          1H2*        G  12   1.340  23.075  -2.999
  136   2H2*    G  12          2H2*        G  12   0.149  23.503  -4.366
  137   1H5*    C  13          1H5*        C  13 -10.602  18.391   3.844
  138   2H5*    C  13          2H5*        C  13 -11.980  17.334   3.438
  139    H4*    C  13           H4*        C  13 -11.249  18.056   1.322
  140    H3*    C  13           H3*        C  13 -10.313  15.421   2.191
  141    H1*    C  13           H1*        C  13  -8.286  18.066  -0.004
  142   1H4     C  13          1H4         C  13  -2.429  18.134   2.417
  143   2H4     C  13          2H4         C  13  -2.992  17.526   3.957
  144    H5     C  13           H5         C  13  -5.295  16.973   4.397
  145    H6     C  13           H6         C  13  -7.558  16.897   3.458
  146    H5T    C  13           H5T        C  13 -10.420  16.472   4.978
  147   1H2*    C  13          1H2*        C  13  -8.177  15.528   1.500
  148   2H2*    C  13          2H2*        C  13  -8.824  15.898  -0.208
  149   1H5*    A  14          1H5*        A  14 -10.740  16.150  -2.500
  150   2H5*    A  14          2H5*        A  14 -10.966  14.586  -3.307
  151    H4*    A  14           H4*        A  14  -9.156  16.172  -4.281
  152    H3*    A  14           H3*        A  14  -9.206  13.263  -3.762
  153    H1*    A  14           H1*        A  14  -6.160  15.794  -3.705
  154    H8     A  14           H8         A  14  -7.274  13.820  -0.514
  155   1H6     A  14          1H6         A  14  -1.379  14.457   1.251
  156   2H6     A  14          2H6         A  14  -2.965  13.875   1.708
  157    H2     A  14           H2         A  14  -1.808  16.270  -2.831
  158   1H2*    A  14          1H2*        A  14  -7.063  13.024  -3.116
  159   2H2*    A  14          2H2*        A  14  -6.561  13.821  -4.724
  160   1H5*    A  15          1H5*        A  15  -6.442  14.992  -7.494
  161   2H5*    A  15          2H5*        A  15  -6.292  13.570  -8.547
  162    H4*    A  15           H4*        A  15  -4.108  14.841  -8.003
  163    H3*    A  15           H3*        A  15  -4.768  12.008  -8.197
  164    H1*    A  15           H1*        A  15  -2.159  13.771  -5.829
  165    H8     A  15           H8         A  15  -5.273  12.072  -4.167
  166   1H6     A  15          1H6         A  15  -1.662  11.664   0.838
  167   2H6     A  15          2H6         A  15  -3.258  11.369   0.185
  168    H2     A  15           H2         A  15   0.749  13.514  -2.465
  169   1H2*    A  15          1H2*        A  15  -3.847  11.324  -6.239
  170   2H2*    A  15          2H2*        A  15  -2.222  11.818  -7.004
  171   1H5*    C  16          1H5*        C  16   0.385  13.035  -8.617
  172   2H5*    C  16          2H5*        C  16   0.645  11.570  -9.588
  173    H4*    C  16           H4*        C  16   2.238  11.945  -7.577
  174    H3*    C  16           H3*        C  16   0.779   9.537  -8.536
  175    H1*    C  16           H1*        C  16   2.157  10.620  -5.029
  176   1H4     C  16          1H4         C  16  -1.856   8.930  -0.425
  177   2H4     C  16          2H4         C  16  -3.210   8.898  -1.533
  178    H5     C  16           H5         C  16  -3.003   9.372  -3.886
  179    H6     C  16           H6         C  16  -1.450   9.967  -5.686
  180   1H2*    C  16          1H2*        C  16   0.425   8.649  -6.489
  181   2H2*    C  16          2H2*        C  16   2.273   8.689  -6.248
  182   1H5*    C  17          1H5*        C  17   5.395   9.334  -6.795
  183   2H5*    C  17          2H5*        C  17   6.042   7.814  -7.445
  184    H4*    C  17           H4*        C  17   6.551   8.358  -4.956
  185    H3*    C  17           H3*        C  17   5.618   5.843  -6.288
  186    H1*    C  17           H1*        C  17   5.195   7.203  -2.608
  187   1H4     C  17          1H4         C  17  -0.559   5.293  -0.749
  188   2H4     C  17          2H4         C  17  -1.136   5.237  -2.398
  189    H5     C  17           H5         C  17   0.251   5.745  -4.301
  190    H6     C  17           H6         C  17   2.496   6.402  -5.034
  191   1H2*    C  17          1H2*        C  17   4.605   4.977  -4.475
  192   2H2*    C  17          2H2*        C  17   6.132   5.347  -3.473
  193   1H5*    C  18          1H5*        C  18   8.356   5.625  -2.384
  194   2H5*    C  18          2H5*        C  18   9.435   4.260  -2.737
  195    H4*    C  18           H4*        C  18   8.400   4.280  -0.389
  196    H3*    C  18           H3*        C  18   8.482   2.085  -2.425
  197    H1*    C  18           H1*        C  18   6.012   2.842   0.555
  198   1H4     C  18          1H4         C  18   0.239   1.231  -1.504
  199   2H4     C  18          2H4         C  18   0.794   1.109  -3.158
  200    H5     C  18           H5         C  18   3.064   1.557  -3.826
  201    H6     C  18           H6         C  18   5.303   2.178  -3.048
  202   1H2*    C  18          1H2*        C  18   6.675   0.985  -1.656
  203   2H2*    C  18          2H2*        C  18   7.362   1.106   0.072
  204   1H5*    T  19          1H5*        T  19   9.214   1.077   2.524
  205   2H5*    T  19          2H5*        T  19  10.204  -0.377   2.288
  206    H4*    T  19           H4*        T  19   8.354  -0.544   4.071
  207    H3*    T  19           H3*        T  19   9.121  -2.377   1.867
  208   1H2*    T  19          1H2*        T  19   7.084  -3.230   1.454
  209   2H2*    T  19          2H2*        T  19   6.899  -3.577   3.276
  210    H1*    T  19           H1*        T  19   5.567  -1.787   3.537
  211    H3     T  19           H3         T  19   1.963  -1.896   0.917
  212   1H5M    T  19          1H5M        T  19   5.216  -2.521  -2.749
  213   2H5M    T  19          2H5M        T  19   6.292  -1.189  -2.256
  214   3H5M    T  19          3H5M        T  19   4.648  -0.836  -2.844
  215    H6     T  19           H6         T  19   6.664  -1.548  -0.019
  216   1H5*    G  20          1H5*        G  20   7.534  -3.238   5.879
  217   2H5*    G  20          2H5*        G  20   8.271  -4.602   6.744
  218    H4*    G  20           H4*        G  20   5.881  -4.289   7.385
  219    H3*    G  20           H3*        G  20   7.221  -6.668   6.607
  220    H1*    G  20           H1*        G  20   3.550  -5.762   5.459
  221    H8     G  20           H8         G  20   6.424  -5.751   2.798
  222    H1     G  20           H1         G  20   0.439  -5.716   0.491
  223   1H2     G  20          1H2         G  20  -1.016  -5.675   2.144
  224   2H2     G  20          2H2         G  20  -0.530  -5.657   3.824
  225   1H2*    G  20          1H2*        G  20   6.093  -7.129   4.663
  226   2H2*    G  20          2H2*        G  20   4.747  -7.657   5.838
  227   1H5*    G  21          1H5*        G  21   2.733  -7.168   9.017
  228   2H5*    G  21          2H5*        G  21   2.982  -8.783   9.709
  229    H4*    G  21           H4*        G  21   0.611  -8.273   8.846
  230    H3*    G  21           H3*        G  21   2.374 -10.614   8.479
  231    H1*    G  21           H1*        G  21  -0.275  -9.173   5.861
  232    H8     G  21           H8         G  21   3.597  -9.536   5.398
  233    H1     G  21           H1         G  21   0.102  -9.452   0.018
  234   1H2     G  21          1H2         G  21  -2.041  -9.300   0.503
  235   2H2     G  21          2H2         G  21  -2.630  -9.217   2.147
  236   1H2*    G  21          1H2*        G  21   1.745 -11.218   6.409
  237   2H2*    G  21          2H2*        G  21  -0.036 -11.111   6.948
  238   1H5*    T  22          1H5*        T  22  -2.388 -10.843   8.418
  239   2H5*    T  22          2H5*        T  22  -2.881 -12.489   8.862
  240    H4*    T  22           H4*        T  22  -4.024 -11.438   6.786
  241    H3*    T  22           H3*        T  22  -2.881 -14.130   7.282
  242   1H2*    T  22          1H2*        T  22  -2.156 -14.529   5.188
  243   2H2*    T  22          2H2*        T  22  -3.873 -14.139   4.578
  244    H1*    T  22           H1*        T  22  -3.247 -12.071   3.923
  245    H3     T  22           H3         T  22  -0.228 -12.922   0.724
  246   1H5M    T  22          1H5M        T  22   2.879 -12.264   4.636
  247   2H5M    T  22          2H5M        T  22   3.077 -13.871   3.896
  248   3H5M    T  22          3H5M        T  22   2.221 -13.705   5.448
  249    H6     T  22           H6         T  22  -0.005 -12.854   5.525
  250   1H5*    T  23          1H5*        T  23  -6.359 -13.369   4.173
  251   2H5*    T  23          2H5*        T  23  -7.541 -14.632   4.577
  252    H4*    T  23           H4*        T  23  -7.463 -14.263   2.129
  253    H3*    T  23           H3*        T  23  -6.959 -16.769   3.550
  254   1H2*    T  23          1H2*        T  23  -5.229 -17.565   2.357
  255   2H2*    T  23          2H2*        T  23  -6.284 -17.391   0.830
  256    H1*    T  23           H1*        T  23  -5.137 -15.576   0.192
  257    H3     T  23           H3         T  23  -0.736 -16.209  -0.114
  258   1H5M    T  23          1H5M        T  23  -2.170 -16.811   5.086
  259   2H5M    T  23          2H5M        T  23  -0.577 -16.109   4.712
  260   3H5M    T  23          3H5M        T  23  -0.875 -17.843   4.437
  261    H6     T  23           H6         T  23  -3.794 -16.315   3.591
  262   1H5*    G  24          1H5*        G  24  -8.829 -17.578  -1.067
  263   2H5*    G  24          2H5*        G  24  -9.744 -19.045  -0.666
  264    H4*    G  24           H4*        G  24  -8.351 -19.227  -2.782
  265    H3*    G  24           H3*        G  24  -8.573 -21.007  -0.483
  266    H1*    G  24           H1*        G  24  -5.281 -20.349  -2.619
  267    H8     G  24           H8         G  24  -5.693 -19.756   1.231
  268    H1     G  24           H1         G  24   0.315 -19.658  -1.017
  269   1H2     G  24          1H2         G  24   0.318 -19.960  -3.198
  270   2H2     G  24          2H2         G  24  -1.151 -20.188  -4.119
  271    H3T    G  24           H3T        G  24  -8.058 -22.306  -2.747
  272   1H2*    G  24          1H2*        G  24  -6.431 -21.548  -0.177
  273   2H2*    G  24          2H2*        G  24  -6.404 -22.167  -1.935
  Start of MODEL    8
    1   1H5*    C   1          1H5*        C   1   8.223 -22.331  -5.044
    2   2H5*    C   1          2H5*        C   1   9.268 -21.609  -6.295
    3    H4*    C   1           H4*        C   1   7.145 -21.338  -7.246
    4    H3*    C   1           H3*        C   1   8.198 -19.021  -5.833
    5    H1*    C   1           H1*        C   1   4.372 -20.181  -5.870
    6   1H4     C   1          1H4         C   1   2.418 -19.997   0.154
    7   2H4     C   1          2H4         C   1   4.062 -19.964   0.753
    8    H5     C   1           H5         C   1   5.992 -20.010  -0.686
    9    H6     C   1           H6         C   1   6.767 -20.075  -3.010
   10    H5T    C   1           H5T        C   1   9.915 -20.325  -4.802
   11   1H2*    C   1          1H2*        C   1   6.397 -18.431  -4.620
   12   2H2*    C   1          2H2*        C   1   5.478 -18.263  -6.234
   13   1H5*    A   2          1H5*        A   2   5.018 -18.225  -9.540
   14   2H5*    A   2          2H5*        A   2   5.202 -16.515  -9.973
   15    H4*    A   2           H4*        A   2   2.783 -17.418  -9.661
   16    H3*    A   2           H3*        A   2   4.119 -14.915  -8.775
   17    H1*    A   2           H1*        A   2   1.206 -16.921  -6.933
   18    H8     A   2           H8         A   2   4.780 -16.063  -5.576
   19   1H6     A   2          1H6         A   2   2.147 -16.528   0.003
   20   2H6     A   2          2H6         A   2   3.634 -16.226  -0.868
   21    H2     A   2           H2         A   2  -1.037 -17.185  -3.091
   22   1H2*    A   2          1H2*        A   2   2.909 -14.543  -6.919
   23   2H2*    A   2          2H2*        A   2   1.348 -14.899  -7.873
   24   1H5*    A   3          1H5*        A   3  -0.490 -15.165  -9.930
   25   2H5*    A   3          2H5*        A   3  -1.038 -13.550 -10.425
   26    H4*    A   3           H4*        A   3  -2.558 -14.832  -8.771
   27    H3*    A   3           H3*        A   3  -1.719 -12.046  -8.957
   28    H1*    A   3           H1*        A   3  -2.360 -14.142  -5.636
   29    H8     A   3           H8         A   3   1.267 -13.022  -6.580
   30   1H6     A   3          1H6         A   3   2.266 -13.064  -0.475
   31   2H6     A   3          2H6         A   3   2.981 -12.806  -2.051
   32    H2     A   3           H2         A   3  -2.053 -14.060  -1.180
   33   1H2*    A   3          1H2*        A   3  -1.134 -11.696  -6.808
   34   2H2*    A   3          2H2*        A   3  -2.907 -12.082  -6.382
   35   1H5*    C   4          1H5*        C   4  -5.922 -12.756  -6.182
   36   2H5*    C   4          2H5*        C   4  -6.646 -11.167  -6.499
   37    H4*    C   4           H4*        C   4  -6.532 -11.927  -4.027
   38    H3*    C   4           H3*        C   4  -5.927  -9.348  -5.343
   39    H1*    C   4           H1*        C   4  -4.550 -10.987  -2.048
   40   1H4     C   4          1H4         C   4   1.676  -9.924  -1.523
   41   2H4     C   4          2H4         C   4   1.847  -9.714  -3.252
   42    H5     C   4           H5         C   4  -0.001  -9.862  -4.788
   43    H6     C   4           H6         C   4  -2.418 -10.213  -5.000
   44   1H2*    C   4          1H2*        C   4  -4.167  -8.786  -4.044
   45   2H2*    C   4          2H2*        C   4  -5.322  -8.913  -2.585
   46   1H5*    C   5          1H5*        C   5  -8.000  -9.179  -0.947
   47   2H5*    C   5          2H5*        C   5  -9.079  -7.776  -1.085
   48    H4*    C   5           H4*        C   5  -7.882  -7.921   1.139
   49    H3*    C   5           H3*        C   5  -8.151  -5.678  -0.703
   50    H1*    C   5           H1*        C   5  -5.124  -6.527   1.685
   51   1H4     C   5          1H4         C   5   0.398  -6.005  -1.378
   52   2H4     C   5          2H4         C   5  -0.387  -6.101  -2.940
   53    H5     C   5           H5         C   5  -2.770  -6.314  -3.208
   54    H6     C   5           H6         C   5  -4.916  -6.506  -2.041
   55   1H2*    C   5          1H2*        C   5  -5.984  -5.011  -0.747
   56   2H2*    C   5          2H2*        C   5  -6.211  -4.631   1.064
   57   1H5*    A   6          1H5*        A   6  -7.524  -4.738   4.365
   58   2H5*    A   6          2H5*        A   6  -8.781  -3.486   4.297
   59    H4*    A   6           H4*        A   6  -6.925  -2.953   5.925
   60    H3*    A   6           H3*        A   6  -8.018  -1.315   3.742
   61    H1*    A   6           H1*        A   6  -4.192  -1.379   4.928
   62    H8     A   6           H8         A   6  -5.731  -1.787   1.357
   63   1H6     A   6          1H6         A   6   0.149  -1.758  -0.571
   64   2H6     A   6          2H6         A   6  -1.530  -1.826  -1.063
   65    H2     A   6           H2         A   6   0.157  -1.569   3.914
   66   1H2*    A   6          1H2*        A   6  -6.144  -0.303   3.036
   67   2H2*    A   6          2H2*        A   6  -5.786   0.182   4.799
   68   1H5*    G   7          1H5*        G   7  -5.908  -0.248   7.171
   69   2H5*    G   7          2H5*        G   7  -6.676   0.835   8.351
   70    H4*    G   7           H4*        G   7  -4.359   1.127   8.767
   71    H3*    G   7           H3*        G   7  -5.829   3.216   7.329
   72    H1*    G   7           H1*        G   7  -2.023   2.166   6.691
   73    H8     G   7           H8         G   7  -4.990   2.150   4.134
   74    H1     G   7           H1         G   7   0.898   1.758   1.621
   75   1H2     G   7          1H2         G   7   2.411   1.748   3.220
   76   2H2     G   7          2H2         G   7   1.990   1.839   4.916
   77   1H2*    G   7          1H2*        G   7  -4.286   3.817   5.815
   78   2H2*    G   7          2H2*        G   7  -3.082   4.063   7.217
   79   1H5*    G   8          1H5*        G   8  -2.044   3.689   9.290
   80   2H5*    G   8          2H5*        G   8  -1.903   5.015  10.462
   81    H4*    G   8           H4*        G   8   0.261   4.643   9.331
   82    H3*    G   8           H3*        G   8  -1.205   7.099   9.514
   83    H1*    G   8           H1*        G   8   0.895   5.923   6.386
   84    H8     G   8           H8         G   8  -3.007   6.016   6.043
   85    H1     G   8           H1         G   8   0.319   6.175   0.560
   86   1H2     G   8          1H2         G   8   2.482   6.137   0.978
   87   2H2     G   8          2H2         G   8   3.124   6.073   2.603
   88   1H2*    G   8          1H2*        G   8  -1.470   7.534   7.285
   89   2H2*    G   8          2H2*        G   8   0.353   7.914   7.353
   90   1H5*    G   9          1H5*        G   9   4.167   8.237   8.894
   91   2H5*    G   9          2H5*        G   9   3.724   9.914   9.271
   92    H4*    G   9           H4*        G   9   5.295   9.332   7.180
   93    H3*    G   9           H3*        G   9   3.269  11.427   7.810
   94    H1*    G   9           H1*        G   9   4.210   9.783   4.321
   95    H8     G   9           H8         G   9   0.691   9.623   6.005
   96    H1     G   9           H1         G   9   0.728   9.675  -0.410
   97   1H2     G   9          1H2         G   9   2.786   9.908  -1.159
   98   2H2     G   9          2H2         G   9   4.166  10.053  -0.093
   99   1H2*    G   9          1H2*        G   9   2.563  11.788   5.706
  100   2H2*    G   9          2H2*        G   9   4.337  11.865   5.138
  101   1H5*    T  10          1H5*        T  10   7.214  12.472   4.788
  102   2H5*    T  10          2H5*        T  10   7.340  14.195   5.195
  103    H4*    T  10           H4*        T  10   7.452  13.566   2.681
  104    H3*    T  10           H3*        T  10   5.999  15.702   4.140
  105   1H2*    T  10          1H2*        T  10   4.202  15.829   2.797
  106   2H2*    T  10          2H2*        T  10   5.349  15.966   1.334
  107    H1*    T  10           H1*        T  10   5.001  13.815   0.790
  108    H3     T  10           H3         T  10   0.643  13.195   0.058
  109   1H5M    T  10          1H5M        T  10   0.501  12.451   4.964
  110   2H5M    T  10          2H5M        T  10  -0.305  13.998   4.614
  111   3H5M    T  10          3H5M        T  10   1.309  13.984   5.363
  112    H6     T  10           H6         T  10   3.217  13.878   4.058
  113   1H5*    T  11          1H5*        T  11   7.847  16.332  -0.333
  114   2H5*    T  11          2H5*        T  11   8.154  18.077  -0.450
  115    H4*    T  11           H4*        T  11   7.106  16.984  -2.525
  116    H3*    T  11           H3*        T  11   6.457  19.460  -1.076
  117   1H2*    T  11          1H2*        T  11   4.220  19.439  -1.271
  118   2H2*    T  11          2H2*        T  11   4.422  19.187  -3.106
  119    H1*    T  11           H1*        T  11   3.865  17.031  -2.907
  120    H3     T  11           H3         T  11  -0.075  16.573  -0.870
  121   1H5M    T  11          1H5M        T  11   1.939  18.658   3.015
  122   2H5M    T  11          2H5M        T  11   3.597  18.031   2.851
  123   3H5M    T  11          3H5M        T  11   2.272  16.937   3.321
  124    H6     T  11           H6         T  11   4.278  17.870   0.698
  125   1H5*    G  12          1H5*        G  12   4.944  19.718  -6.311
  126   2H5*    G  12          2H5*        G  12   5.655  21.340  -6.196
  127    H4*    G  12           H4*        G  12   3.329  21.237  -7.257
  128    H3*    G  12           H3*        G  12   4.432  22.976  -5.163
  129    H1*    G  12           H1*        G  12   0.670  21.633  -5.275
  130    H8     G  12           H8         G  12   3.398  21.452  -2.475
  131    H1     G  12           H1         G  12  -2.508  19.600  -0.784
  132   1H2     G  12          1H2         G  12  -3.862  19.695  -2.519
  133   2H2     G  12          2H2         G  12  -3.329  20.212  -4.103
  134    H3T    G  12           H3T        G  12   2.715  23.382  -7.407
  135   1H2*    G  12          1H2*        G  12   2.648  23.237  -3.860
  136   2H2*    G  12          2H2*        G  12   1.622  23.648  -5.361
  137   1H5*    C  13          1H5*        C  13 -10.599  20.527   2.297
  138   2H5*    C  13          2H5*        C  13 -11.300  18.889   2.252
  139    H4*    C  13           H4*        C  13 -10.574  19.861   0.006
  140    H3*    C  13           H3*        C  13  -9.975  17.264   1.227
  141    H1*    C  13           H1*        C  13  -7.559  19.403  -1.126
  142   1H4     C  13          1H4         C  13  -1.881  19.124   1.675
  143   2H4     C  13          2H4         C  13  -2.590  18.688   3.212
  144    H5     C  13           H5         C  13  -4.960  18.397   3.539
  145    H6     C  13           H6         C  13  -7.160  18.472   2.463
  146    H5T    C  13           H5T        C  13  -9.358  19.694   3.768
  147   1H2*    C  13          1H2*        C  13  -7.821  17.046   0.624
  148   2H2*    C  13          2H2*        C  13  -8.356  17.309  -1.142
  149   1H5*    A  14          1H5*        A  14 -10.200  17.532  -3.462
  150   2H5*    A  14          2H5*        A  14 -10.532  15.951  -4.197
  151    H4*    A  14           H4*        A  14  -8.539  17.307  -5.157
  152    H3*    A  14           H3*        A  14  -8.878  14.451  -4.482
  153    H1*    A  14           H1*        A  14  -5.620  16.701  -4.398
  154    H8     A  14           H8         A  14  -7.068  15.031  -1.168
  155   1H6     A  14          1H6         A  14  -1.238  15.275   0.890
  156   2H6     A  14          2H6         A  14  -2.884  14.824   1.275
  157    H2     A  14           H2         A  14  -1.293  16.849  -3.312
  158   1H2*    A  14          1H2*        A  14  -6.801  14.064  -3.704
  159   2H2*    A  14          2H2*        A  14  -6.147  14.712  -5.324
  160   1H5*    A  15          1H5*        A  15  -5.786  15.691  -8.147
  161   2H5*    A  15          2H5*        A  15  -5.708  14.199  -9.106
  162    H4*    A  15           H4*        A  15  -3.452  15.309  -8.503
  163    H3*    A  15           H3*        A  15  -4.352  12.537  -8.577
  164    H1*    A  15           H1*        A  15  -1.730  14.207  -6.154
  165    H8     A  15           H8         A  15  -5.075  12.870  -4.616
  166   1H6     A  15          1H6         A  15  -1.827  12.448   0.631
  167   2H6     A  15          2H6         A  15  -3.398  12.246  -0.111
  168    H2     A  15           H2         A  15   0.933  13.901  -2.596
  169   1H2*    A  15          1H2*        A  15  -3.590  11.888  -6.543
  170   2H2*    A  15          2H2*        A  15  -1.891  12.210  -7.238
  171   1H5*    C  16          1H5*        C  16   0.841  13.154  -8.787
  172   2H5*    C  16          2H5*        C  16   1.078  11.626  -9.657
  173    H4*    C  16           H4*        C  16   2.576  12.055  -7.578
  174    H3*    C  16           H3*        C  16   1.087   9.658  -8.509
  175    H1*    C  16           H1*        C  16   2.282  10.856  -4.971
  176   1H4     C  16          1H4         C  16  -2.087   9.523  -0.577
  177   2H4     C  16          2H4         C  16  -3.374   9.554  -1.761
  178    H5     C  16           H5         C  16  -2.996   9.921  -4.112
  179    H6     C  16           H6         C  16  -1.307  10.364  -5.831
  180   1H2*    C  16          1H2*        C  16   0.563   8.889  -6.451
  181   2H2*    C  16          2H2*        C  16   2.391   8.867  -6.090
  182   1H5*    C  17          1H5*        C  17   5.543   9.379  -6.468
  183   2H5*    C  17          2H5*        C  17   6.189   7.796  -6.948
  184    H4*    C  17           H4*        C  17   6.477   8.536  -4.460
  185    H3*    C  17           H3*        C  17   5.697   5.939  -5.714
  186    H1*    C  17           H1*        C  17   4.923   7.523  -2.189
  187   1H4     C  17          1H4         C  17  -0.984   5.787  -0.666
  188   2H4     C  17          2H4         C  17  -1.445   5.678  -2.350
  189    H5     C  17           H5         C  17   0.087   6.068  -4.167
  190    H6     C  17           H6         C  17   2.393   6.647  -4.763
  191   1H2*    C  17          1H2*        C  17   4.439   5.208  -3.996
  192   2H2*    C  17          2H2*        C  17   5.862   5.577  -2.850
  193   1H5*    C  18          1H5*        C  18   7.822   5.973  -1.577
  194   2H5*    C  18          2H5*        C  18   9.120   4.774  -1.748
  195    H4*    C  18           H4*        C  18   7.997   4.621   0.478
  196    H3*    C  18           H3*        C  18   8.128   2.446  -1.576
  197    H1*    C  18           H1*        C  18   5.569   3.158   1.344
  198   1H4     C  18          1H4         C  18  -0.103   1.519  -0.957
  199   2H4     C  18          2H4         C  18   0.511   1.443  -2.592
  200    H5     C  18           H5         C  18   2.811   1.876  -3.161
  201    H6     C  18           H6         C  18   5.013   2.505  -2.288
  202   1H2*    C  18          1H2*        C  18   6.323   1.318  -0.846
  203   2H2*    C  18          2H2*        C  18   6.965   1.452   0.899
  204   1H5*    T  19          1H5*        T  19   8.661   1.329   3.393
  205   2H5*    T  19          2H5*        T  19   9.742  -0.052   3.121
  206    H4*    T  19           H4*        T  19   7.861  -0.431   4.825
  207    H3*    T  19           H3*        T  19   8.772  -2.082   2.538
  208   1H2*    T  19          1H2*        T  19   6.782  -2.970   1.987
  209   2H2*    T  19          2H2*        T  19   6.569  -3.482   3.767
  210    H1*    T  19           H1*        T  19   5.163  -1.769   4.155
  211    H3     T  19           H3         T  19   1.586  -1.870   1.499
  212   1H5M    T  19          1H5M        T  19   4.824  -0.072  -1.878
  213   2H5M    T  19          2H5M        T  19   4.279  -1.704  -2.339
  214   3H5M    T  19          3H5M        T  19   5.916  -1.464  -1.684
  215    H6     T  19           H6         T  19   6.271  -1.232   0.635
  216   1H5*    G  20          1H5*        G  20   6.795  -3.324   6.186
  217   2H5*    G  20          2H5*        G  20   7.797  -4.460   7.111
  218    H4*    G  20           H4*        G  20   5.481  -4.829   7.752
  219    H3*    G  20           H3*        G  20   7.188  -6.797   6.591
  220    H1*    G  20           H1*        G  20   3.340  -6.426   5.762
  221    H8     G  20           H8         G  20   5.975  -5.567   2.993
  222    H1     G  20           H1         G  20  -0.044  -6.492   0.978
  223   1H2     G  20          1H2         G  20  -1.361  -6.935   2.687
  224   2H2     G  20          2H2         G  20  -0.775  -7.006   4.333
  225   1H2*    G  20          1H2*        G  20   6.007  -7.255   4.684
  226   2H2*    G  20          2H2*        G  20   4.850  -8.120   5.862
  227   1H5*    G  21          1H5*        G  21   3.095  -8.301   9.186
  228   2H5*    G  21          2H5*        G  21   3.685  -9.877   9.750
  229    H4*    G  21           H4*        G  21   1.206  -9.817   9.173
  230    H3*    G  21           H3*        G  21   3.317 -11.699   8.335
  231    H1*    G  21           H1*        G  21   0.129 -10.570   6.213
  232    H8     G  21           H8         G  21   3.903 -10.094   5.274
  233    H1     G  21           H1         G  21  -0.254 -10.065   0.387
  234   1H2     G  21          1H2         G  21  -2.303 -10.391   1.126
  235   2H2     G  21          2H2         G  21  -2.667 -10.618   2.822
  236   1H2*    G  21          1H2*        G  21   2.581 -12.177   6.268
  237   2H2*    G  21          2H2*        G  21   0.895 -12.523   6.985
  238   1H5*    T  22          1H5*        T  22  -1.232 -12.789   8.831
  239   2H5*    T  22          2H5*        T  22  -1.459 -14.529   9.105
  240    H4*    T  22           H4*        T  22  -3.010 -13.396   7.362
  241    H3*    T  22           H3*        T  22  -1.505 -15.953   7.329
  242   1H2*    T  22          1H2*        T  22  -1.063 -16.004   5.123
  243   2H2*    T  22          2H2*        T  22  -2.883 -15.766   4.805
  244    H1*    T  22           H1*        T  22  -2.591 -13.574   4.357
  245    H3     T  22           H3         T  22   0.016 -13.631   0.716
  246   1H5M    T  22          1H5M        T  22   3.769 -13.217   3.672
  247   2H5M    T  22          2H5M        T  22   3.640 -14.992   3.676
  248   3H5M    T  22          3H5M        T  22   3.161 -14.063   5.117
  249    H6     T  22           H6         T  22   0.914 -14.125   5.411
  250   1H5*    T  23          1H5*        T  23  -5.497 -15.322   4.817
  251   2H5*    T  23          2H5*        T  23  -6.423 -16.783   5.220
  252    H4*    T  23           H4*        T  23  -6.759 -16.144   2.844
  253    H3*    T  23           H3*        T  23  -5.759 -18.691   3.875
  254   1H2*    T  23          1H2*        T  23  -4.150 -19.132   2.372
  255   2H2*    T  23          2H2*        T  23  -5.430 -18.931   1.032
  256    H1*    T  23           H1*        T  23  -4.589 -16.932   0.473
  257    H3     T  23           H3         T  23  -0.227 -16.950  -0.445
  258   1H5M    T  23          1H5M        T  23   0.431 -19.065   3.863
  259   2H5M    T  23          2H5M        T  23  -0.857 -18.254   4.786
  260   3H5M    T  23          3H5M        T  23   0.592 -17.345   4.292
  261    H6     T  23           H6         T  23  -2.717 -17.839   3.568
  262   1H5*    G  24          1H5*        G  24  -8.157 -19.291  -0.577
  263   2H5*    G  24          2H5*        G  24  -8.820 -20.889  -0.178
  264    H4*    G  24           H4*        G  24  -7.744 -20.741  -2.477
  265    H3*    G  24           H3*        G  24  -7.414 -22.690  -0.330
  266    H1*    G  24           H1*        G  24  -4.569 -21.469  -2.834
  267    H8     G  24           H8         G  24  -4.494 -21.233   1.075
  268    H1     G  24           H1         G  24   1.076 -20.175  -1.927
  269   1H2     G  24          1H2         G  24   0.803 -20.302  -4.108
  270   2H2     G  24          2H2         G  24  -0.746 -20.646  -4.844
  271    H3T    G  24           H3T        G  24  -7.089 -23.551  -2.916
  272   1H2*    G  24          1H2*        G  24  -5.205 -22.990  -0.387
  273   2H2*    G  24          2H2*        G  24  -5.374 -23.457  -2.183
  Start of MODEL    9
    1   1H5*    C   1          1H5*        C   1   7.766 -22.644  -3.353
    2   2H5*    C   1          2H5*        C   1   9.013 -22.116  -4.515
    3    H4*    C   1           H4*        C   1   7.051 -21.796  -5.755
    4    H3*    C   1           H3*        C   1   8.110 -19.433  -4.437
    5    H1*    C   1           H1*        C   1   4.223 -20.310  -4.810
    6   1H4     C   1          1H4         C   1   1.687 -19.477   0.936
    7   2H4     C   1          2H4         C   1   3.258 -19.505   1.704
    8    H5     C   1           H5         C   1   5.315 -19.822   0.491
    9    H6     C   1           H6         C   1   6.314 -20.141  -1.724
   10    H5T    C   1           H5T        C   1   9.554 -20.942  -2.843
   11   1H2*    C   1          1H2*        C   1   6.242 -18.614  -3.485
   12   2H2*    C   1          2H2*        C   1   5.520 -18.524  -5.201
   13   1H5*    A   2          1H5*        A   2   5.401 -18.699  -8.573
   14   2H5*    A   2          2H5*        A   2   5.822 -17.046  -9.068
   15    H4*    A   2           H4*        A   2   3.300 -17.673  -9.021
   16    H3*    A   2           H3*        A   2   4.785 -15.272  -8.093
   17    H1*    A   2           H1*        A   2   1.481 -16.843  -6.504
   18    H8     A   2           H8         A   2   4.970 -16.218  -4.831
   19   1H6     A   2          1H6         A   2   1.772 -16.130   0.464
   20   2H6     A   2          2H6         A   2   3.361 -16.041  -0.261
   21    H2     A   2           H2         A   2  -1.135 -16.738  -2.901
   22   1H2*    A   2          1H2*        A   2   3.407 -14.652  -6.432
   23   2H2*    A   2          2H2*        A   2   1.940 -14.926  -7.550
   24   1H5*    A   3          1H5*        A   3   0.424 -15.171  -9.823
   25   2H5*    A   3          2H5*        A   3   0.018 -13.562 -10.456
   26    H4*    A   3           H4*        A   3  -1.741 -14.679  -8.927
   27    H3*    A   3           H3*        A   3  -0.741 -11.952  -9.147
   28    H1*    A   3           H1*        A   3  -1.845 -13.831  -5.819
   29    H8     A   3           H8         A   3   1.919 -12.945  -6.417
   30   1H6     A   3          1H6         A   3   2.270 -12.741  -0.244
   31   2H6     A   3          2H6         A   3   3.157 -12.582  -1.745
   32    H2     A   3           H2         A   3  -2.000 -13.550  -1.364
   33   1H2*    A   3          1H2*        A   3  -0.363 -11.520  -6.966
   34   2H2*    A   3          2H2*        A   3  -2.191 -11.788  -6.717
   35   1H5*    C   4          1H5*        C   4  -5.246 -12.308  -6.828
   36   2H5*    C   4          2H5*        C   4  -5.846 -10.699  -7.275
   37    H4*    C   4           H4*        C   4  -6.026 -11.366  -4.779
   38    H3*    C   4           H3*        C   4  -5.151  -8.872  -6.116
   39    H1*    C   4           H1*        C   4  -4.198 -10.443  -2.634
   40   1H4     C   4          1H4         C   4   1.991  -9.579  -1.569
   41   2H4     C   4          2H4         C   4   2.333  -9.482  -3.281
   42    H5     C   4           H5         C   4   0.625  -9.583  -4.976
   43    H6     C   4           H6         C   4  -1.775  -9.849  -5.400
   44   1H2*    C   4          1H2*        C   4  -3.536  -8.322  -4.638
   45   2H2*    C   4          2H2*        C   4  -4.847  -8.373  -3.312
   46   1H5*    C   5          1H5*        C   5  -7.645  -8.593  -1.965
   47   2H5*    C   5          2H5*        C   5  -8.586  -7.097  -2.131
   48    H4*    C   5           H4*        C   5  -7.575  -7.469   0.180
   49    H3*    C   5           H3*        C   5  -7.627  -5.112  -1.532
   50    H1*    C   5           H1*        C   5  -4.793  -6.228   0.988
   51   1H4     C   5          1H4         C   5   0.922  -5.788  -1.712
   52   2H4     C   5          2H4         C   5   0.230  -5.733  -3.318
   53    H5     C   5           H5         C   5  -2.136  -5.870  -3.740
   54    H6     C   5           H6         C   5  -4.356  -6.034  -2.714
   55   1H2*    C   5          1H2*        C   5  -5.437  -4.538  -1.396
   56   2H2*    C   5          2H2*        C   5  -5.768  -4.258   0.416
   57   1H5*    A   6          1H5*        A   6  -7.449  -4.523   3.623
   58   2H5*    A   6          2H5*        A   6  -8.570  -3.147   3.546
   59    H4*    A   6           H4*        A   6  -6.782  -2.974   5.359
   60    H3*    A   6           H3*        A   6  -7.708  -1.038   3.375
   61    H1*    A   6           H1*        A   6  -3.880  -1.438   4.531
   62    H8     A   6           H8         A   6  -5.479  -1.481   0.965
   63   1H6     A   6          1H6         A   6   0.368  -1.702  -1.047
   64   2H6     A   6          2H6         A   6  -1.316  -1.617  -1.518
   65    H2     A   6           H2         A   6   0.437  -1.853   3.437
   66   1H2*    A   6          1H2*        A   6  -5.766  -0.102   2.753
   67   2H2*    A   6          2H2*        A   6  -5.389   0.206   4.552
   68   1H5*    G   7          1H5*        G   7  -5.462  -0.446   6.792
   69   2H5*    G   7          2H5*        G   7  -6.122   0.546   8.109
   70    H4*    G   7           H4*        G   7  -3.792   0.701   8.464
   71    H3*    G   7           H3*        G   7  -5.155   2.975   7.189
   72    H1*    G   7           H1*        G   7  -1.439   1.727   6.382
   73    H8     G   7           H8         G   7  -4.507   2.177   3.989
   74    H1     G   7           H1         G   7   1.212   1.546   1.152
   75   1H2     G   7          1H2         G   7   2.787   1.269   2.663
   76   2H2     G   7          2H2         G   7   2.451   1.236   4.380
   77   1H2*    G   7          1H2*        G   7  -3.559   3.638   5.762
   78   2H2*    G   7          2H2*        G   7  -2.335   3.615   7.167
   79   1H5*    G   8          1H5*        G   8  -1.248   3.196   9.278
   80   2H5*    G   8          2H5*        G   8  -1.108   4.572  10.390
   81    H4*    G   8           H4*        G   8   1.044   4.115   9.211
   82    H3*    G   8           H3*        G   8  -0.373   6.594   9.475
   83    H1*    G   8           H1*        G   8   1.593   5.436   6.237
   84    H8     G   8           H8         G   8  -2.319   5.639   6.118
   85    H1     G   8           H1         G   8   0.697   5.796   0.458
   86   1H2     G   8          1H2         G   8   2.877   5.689   0.751
   87   2H2     G   8          2H2         G   8   3.608   5.578   2.336
   88   1H2*    G   8          1H2*        G   8  -0.666   7.104   7.271
   89   2H2*    G   8          2H2*        G   8   1.173   7.404   7.293
   90   1H5*    G   9          1H5*        G   9   4.975   7.771   8.592
   91   2H5*    G   9          2H5*        G   9   4.508   9.417   9.063
   92    H4*    G   9           H4*        G   9   5.925   8.970   6.835
   93    H3*    G   9           H3*        G   9   3.863  10.955   7.683
   94    H1*    G   9           H1*        G   9   4.648   9.460   4.096
   95    H8     G   9           H8         G   9   1.228   9.147   5.959
   96    H1     G   9           H1         G   9   0.932   9.288  -0.449
   97   1H2     G   9          1H2         G   9   2.940   9.597  -1.298
   98   2H2     G   9          2H2         G   9   4.368   9.771  -0.301
   99   1H2*    G   9          1H2*        G   9   3.000  11.348   5.645
  100   2H2*    G   9          2H2*        G   9   4.726  11.526   4.964
  101   1H5*    T  10          1H5*        T  10   7.559  12.311   4.427
  102   2H5*    T  10          2H5*        T  10   7.604  14.019   4.904
  103    H4*    T  10           H4*        T  10   7.577  13.511   2.363
  104    H3*    T  10           H3*        T  10   6.082  15.471   4.016
  105   1H2*    T  10          1H2*        T  10   4.197  15.532   2.792
  106   2H2*    T  10          2H2*        T  10   5.238  15.813   1.271
  107    H1*    T  10           H1*        T  10   5.008  13.667   0.647
  108    H3     T  10           H3         T  10   0.664  12.786   0.131
  109   1H5M    T  10          1H5M        T  10   0.854  11.800   4.988
  110   2H5M    T  10          2H5M        T  10  -0.053  13.317   4.773
  111   3H5M    T  10          3H5M        T  10   1.601  13.354   5.426
  112    H6     T  10           H6         T  10   3.423  13.455   4.009
  113   1H5*    T  11          1H5*        T  11   7.574  16.457  -0.511
  114   2H5*    T  11          2H5*        T  11   7.756  18.222  -0.560
  115    H4*    T  11           H4*        T  11   6.631  17.159  -2.610
  116    H3*    T  11           H3*        T  11   5.927  19.510  -0.990
  117   1H2*    T  11          1H2*        T  11   3.688  19.321  -1.008
  118   2H2*    T  11          2H2*        T  11   3.760  19.201  -2.866
  119    H1*    T  11           H1*        T  11   3.395  16.994  -2.780
  120    H3     T  11           H3         T  11  -0.378  16.125  -0.566
  121   1H5M    T  11          1H5M        T  11   2.210  16.403   3.501
  122   2H5M    T  11          2H5M        T  11   1.691  18.098   3.337
  123   3H5M    T  11          3H5M        T  11   3.389  17.652   3.033
  124    H6     T  11           H6         T  11   3.957  17.647   0.843
  125   1H5*    G  12          1H5*        G  12   4.102  20.052  -5.975
  126   2H5*    G  12          2H5*        G  12   4.645  21.737  -5.848
  127    H4*    G  12           H4*        G  12   2.277  21.433  -6.752
  128    H3*    G  12           H3*        G  12   3.335  23.194  -4.662
  129    H1*    G  12           H1*        G  12  -0.262  21.465  -4.621
  130    H8     G  12           H8         G  12   2.598  21.338  -1.951
  131    H1     G  12           H1         G  12  -3.059  18.906  -0.147
  132   1H2     G  12          1H2         G  12  -4.496  19.003  -1.812
  133   2H2     G  12          2H2         G  12  -4.080  19.665  -3.377
  134    H3T    G  12           H3T        G  12   1.319  24.262  -6.052
  135   1H2*    G  12          1H2*        G  12   1.668  23.137  -3.189
  136   2H2*    G  12          2H2*        G  12   0.480  23.570  -4.557
  137   1H5*    C  13          1H5*        C  13 -10.464  18.894   3.500
  138   2H5*    C  13          2H5*        C  13 -11.911  17.937   3.090
  139    H4*    C  13           H4*        C  13 -11.114  18.515   0.966
  140    H3*    C  13           H3*        C  13 -10.270  15.885   1.943
  141    H1*    C  13           H1*        C  13  -8.130  18.396  -0.301
  142   1H4     C  13          1H4         C  13  -2.322  18.375   2.233
  143   2H4     C  13          2H4         C  13  -2.925  17.786   3.766
  144    H5     C  13           H5         C  13  -5.252  17.327   4.181
  145    H6     C  13           H6         C  13  -7.500  17.296   3.203
  146    H5T    C  13           H5T        C  13  -9.361  17.052   3.947
  147   1H2*    C  13          1H2*        C  13  -8.124  15.900   1.274
  148   2H2*    C  13          2H2*        C  13  -8.738  16.242  -0.452
  149   1H5*    A  14          1H5*        A  14 -10.623  16.483  -2.761
  150   2H5*    A  14          2H5*        A  14 -10.877  14.909  -3.539
  151    H4*    A  14           H4*        A  14  -9.016  16.429  -4.520
  152    H3*    A  14           H3*        A  14  -9.142  13.533  -3.941
  153    H1*    A  14           H1*        A  14  -6.038  15.994  -3.896
  154    H8     A  14           H8         A  14  -7.240  14.112  -0.680
  155   1H6     A  14          1H6         A  14  -1.353  14.644   1.148
  156   2H6     A  14          2H6         A  14  -2.959  14.113   1.596
  157    H2     A  14           H2         A  14  -1.687  16.385  -2.974
  158   1H2*    A  14          1H2*        A  14  -7.013  13.258  -3.264
  159   2H2*    A  14          2H2*        A  14  -6.471  14.011  -4.880
  160   1H5*    A  15          1H5*        A  15  -6.295  15.120  -7.671
  161   2H5*    A  15          2H5*        A  15  -6.164  13.675  -8.694
  162    H4*    A  15           H4*        A  15  -3.958  14.906  -8.148
  163    H3*    A  15           H3*        A  15  -4.681  12.087  -8.293
  164    H1*    A  15           H1*        A  15  -2.062  13.838  -5.927
  165    H8     A  15           H8         A  15  -5.236  12.241  -4.276
  166   1H6     A  15          1H6         A  15  -1.701  11.846   0.784
  167   2H6     A  15          2H6         A  15  -3.296  11.579   0.117
  168    H2     A  15           H2         A  15   0.795  13.580  -2.519
  169   1H2*    A  15          1H2*        A  15  -3.796  11.420  -6.312
  170   2H2*    A  15          2H2*        A  15  -2.152  11.865  -7.068
  171   1H5*    C  16          1H5*        C  16   0.486  13.002  -8.681
  172   2H5*    C  16          2H5*        C  16   0.737  11.516  -9.618
  173    H4*    C  16           H4*        C  16   2.311  11.913  -7.595
  174    H3*    C  16           H3*        C  16   0.843   9.504  -8.532
  175    H1*    C  16           H1*        C  16   2.182  10.631  -5.024
  176   1H4     C  16          1H4         C  16  -1.916   9.063  -0.451
  177   2H4     C  16          2H4         C  16  -3.253   9.024  -1.579
  178    H5     C  16           H5         C  16  -3.009   9.475  -3.932
  179    H6     C  16           H6         C  16  -1.425  10.024  -5.720
  180   1H2*    C  16          1H2*        C  16   0.449   8.654  -6.477
  181   2H2*    C  16          2H2*        C  16   2.294   8.679  -6.208
  182   1H5*    C  17          1H5*        C  17   5.428   9.281  -6.718
  183   2H5*    C  17          2H5*        C  17   6.068   7.739  -7.323
  184    H4*    C  17           H4*        C  17   6.528   8.338  -4.832
  185    H3*    C  17           H3*        C  17   5.620   5.800  -6.137
  186    H1*    C  17           H1*        C  17   5.124   7.235  -2.494
  187   1H4     C  17          1H4         C  17  -0.669   5.384  -0.699
  188   2H4     C  17          2H4         C  17  -1.219   5.296  -2.356
  189    H5     C  17           H5         C  17   0.198   5.782  -4.244
  190    H6     C  17           H6         C  17   2.457   6.416  -4.951
  191   1H2*    C  17          1H2*        C  17   4.556   4.975  -4.334
  192   2H2*    C  17          2H2*        C  17   6.064   5.352  -3.303
  193   1H5*    C  18          1H5*        C  18   8.237   5.652  -2.177
  194   2H5*    C  18          2H5*        C  18   9.357   4.310  -2.487
  195    H4*    C  18           H4*        C  18   8.299   4.314  -0.164
  196    H3*    C  18           H3*        C  18   8.383   2.112  -2.191
  197    H1*    C  18           H1*        C  18   5.899   2.888   0.772
  198   1H4     C  18          1H4         C  18   0.140   1.262  -1.312
  199   2H4     C  18          2H4         C  18   0.694   1.182  -2.970
  200    H5     C  18           H5         C  18   2.977   1.585  -3.621
  201    H6     C  18           H6         C  18   5.213   2.203  -2.831
  202   1H2*    C  18          1H2*        C  18   6.570   1.019  -1.426
  203   2H2*    C  18          2H2*        C  18   7.248   1.146   0.305
  204   1H5*    T  19          1H5*        T  19   9.091   1.056   2.800
  205   2H5*    T  19          2H5*        T  19  10.095  -0.377   2.505
  206    H4*    T  19           H4*        T  19   8.264  -0.633   4.293
  207    H3*    T  19           H3*        T  19   9.018  -2.372   2.009
  208   1H2*    T  19          1H2*        T  19   6.983  -3.229   1.589
  209   2H2*    T  19          2H2*        T  19   6.819  -3.639   3.401
  210    H1*    T  19           H1*        T  19   5.475  -1.872   3.734
  211    H3     T  19           H3         T  19   1.855  -1.896   1.135
  212   1H5M    T  19          1H5M        T  19   5.023  -0.373  -2.381
  213   2H5M    T  19          2H5M        T  19   4.552  -2.055  -2.731
  214   3H5M    T  19          3H5M        T  19   6.178  -1.698  -2.100
  215    H6     T  19           H6         T  19   6.549  -1.497   0.183
  216   1H5*    G  20          1H5*        G  20   7.436  -3.357   5.931
  217   2H5*    G  20          2H5*        G  20   8.238  -4.678   6.805
  218    H4*    G  20           H4*        G  20   5.868  -4.502   7.492
  219    H3*    G  20           H3*        G  20   7.248  -6.814   6.591
  220    H1*    G  20           H1*        G  20   3.526  -5.964   5.560
  221    H8     G  20           H8         G  20   6.342  -5.797   2.843
  222    H1     G  20           H1         G  20   0.309  -5.754   0.663
  223   1H2     G  20          1H2         G  20  -1.110  -5.797   2.345
  224   2H2     G  20          2H2         G  20  -0.591  -5.836   4.015
  225   1H2*    G  20          1H2*        G  20   6.085  -7.229   4.656
  226   2H2*    G  20          2H2*        G  20   4.781  -7.837   5.840
  227   1H5*    G  21          1H5*        G  21   2.849  -7.500   9.092
  228   2H5*    G  21          2H5*        G  21   3.142  -9.133   9.727
  229    H4*    G  21           H4*        G  21   0.739  -8.637   8.951
  230    H3*    G  21           H3*        G  21   2.527 -10.934   8.459
  231    H1*    G  21           H1*        G  21  -0.216  -9.457   5.959
  232    H8     G  21           H8         G  21   3.648  -9.728   5.384
  233    H1     G  21           H1         G  21   0.012  -9.547   0.103
  234   1H2     G  21          1H2         G  21  -2.120  -9.454   0.646
  235   2H2     G  21          2H2         G  21  -2.667  -9.435   2.307
  236   1H2*    G  21          1H2*        G  21   1.854 -11.481   6.387
  237   2H2*    G  21          2H2*        G  21   0.087 -11.424   6.976
  238   1H5*    T  22          1H5*        T  22  -2.251 -11.277   8.504
  239   2H5*    T  22          2H5*        T  22  -2.670 -12.954   8.912
  240    H4*    T  22           H4*        T  22  -3.906 -11.888   6.896
  241    H3*    T  22           H3*        T  22  -2.652 -14.548   7.287
  242   1H2*    T  22          1H2*        T  22  -1.967 -14.863   5.166
  243   2H2*    T  22          2H2*        T  22  -3.712 -14.519   4.609
  244    H1*    T  22           H1*        T  22  -3.175 -12.413   3.996
  245    H3     T  22           H3         T  22  -0.201 -13.063   0.710
  246   1H5M    T  22          1H5M        T  22   3.204 -13.991   3.782
  247   2H5M    T  22          2H5M        T  22   2.380 -13.886   5.356
  248   3H5M    T  22          3H5M        T  22   2.973 -12.408   4.562
  249    H6     T  22           H6         T  22   0.128 -13.124   5.503
  250   1H5*    T  23          1H5*        T  23  -6.218 -13.850   4.254
  251   2H5*    T  23          2H5*        T  23  -7.342 -15.160   4.674
  252    H4*    T  23           H4*        T  23  -7.347 -14.776   2.232
  253    H3*    T  23           H3*        T  23  -6.668 -17.268   3.609
  254   1H2*    T  23          1H2*        T  23  -4.958 -17.975   2.336
  255   2H2*    T  23          2H2*        T  23  -6.072 -17.812   0.850
  256    H1*    T  23           H1*        T  23  -5.016 -15.945   0.213
  257    H3     T  23           H3         T  23  -0.599 -16.365  -0.214
  258   1H5M    T  23          1H5M        T  23  -0.326 -16.351   4.610
  259   2H5M    T  23          2H5M        T  23  -0.542 -18.091   4.302
  260   3H5M    T  23          3H5M        T  23  -1.872 -17.139   5.006
  261    H6     T  23           H6         T  23  -3.553 -16.682   3.563
  262   1H5*    G  24          1H5*        G  24  -8.675 -18.128  -0.949
  263   2H5*    G  24          2H5*        G  24  -9.496 -19.643  -0.522
  264    H4*    G  24           H4*        G  24  -8.178 -19.737  -2.693
  265    H3*    G  24           H3*        G  24  -8.222 -21.543  -0.403
  266    H1*    G  24           H1*        G  24  -5.050 -20.703  -2.656
  267    H8     G  24           H8         G  24  -5.352 -20.169   1.213
  268    H1     G  24           H1         G  24   0.559 -19.744  -1.243
  269   1H2     G  24          1H2         G  24   0.499 -20.022  -3.427
  270   2H2     G  24          2H2         G  24  -0.990 -20.315  -4.298
  271    H3T    G  24           H3T        G  24  -7.741 -22.808  -2.688
  272   1H2*    G  24          1H2*        G  24  -6.045 -21.984  -0.190
  273   2H2*    G  24          2H2*        G  24  -6.058 -22.579  -1.955
  Start of MODEL   10
    1   1H5*    C   1          1H5*        C   1   7.178 -23.769  -0.963
    2   2H5*    C   1          2H5*        C   1   8.477 -23.585  -2.172
    3    H4*    C   1           H4*        C   1   6.567 -23.351  -3.504
    4    H3*    C   1           H3*        C   1   7.804 -20.870  -2.634
    5    H1*    C   1           H1*        C   1   3.855 -21.482  -2.921
    6   1H4     C   1          1H4         C   1   1.417 -19.339   2.521
    7   2H4     C   1          2H4         C   1   2.978 -19.371   3.308
    8    H5     C   1           H5         C   1   5.002 -20.060   2.198
    9    H6     C   1           H6         C   1   5.964 -20.882   0.098
   10    H5T    C   1           H5T        C   1   8.953 -22.275  -0.452
   11   1H2*    C   1          1H2*        C   1   6.002 -19.728  -1.923
   12   2H2*    C   1          2H2*        C   1   5.304 -19.932  -3.639
   13   1H5*    A   2          1H5*        A   2   5.146 -20.713  -6.929
   14   2H5*    A   2          2H5*        A   2   5.750 -19.220  -7.674
   15    H4*    A   2           H4*        A   2   3.176 -19.573  -7.625
   16    H3*    A   2           H3*        A   2   4.881 -17.207  -7.031
   17    H1*    A   2           H1*        A   2   1.403 -18.146  -5.312
   18    H8     A   2           H8         A   2   4.949 -17.557  -3.750
   19   1H6     A   2          1H6         A   2   1.818 -16.268   1.428
   20   2H6     A   2          2H6         A   2   3.402 -16.415   0.701
   21    H2     A   2           H2         A   2  -1.160 -17.189  -1.800
   22   1H2*    A   2          1H2*        A   2   3.498 -16.157  -5.605
   23   2H2*    A   2          2H2*        A   2   2.048 -16.535  -6.714
   24   1H5*    A   3          1H5*        A   3   0.753 -17.124  -8.978
   25   2H5*    A   3          2H5*        A   3   0.360 -15.671  -9.922
   26    H4*    A   3           H4*        A   3  -1.436 -16.473  -8.252
   27    H3*    A   3           H3*        A   3  -0.428 -13.841  -8.966
   28    H1*    A   3           H1*        A   3  -1.592 -15.030  -5.348
   29    H8     A   3           H8         A   3   2.192 -14.341  -6.059
   30   1H6     A   3          1H6         A   3   2.479 -12.889  -0.052
   31   2H6     A   3          2H6         A   3   3.391 -13.088  -1.531
   32    H2     A   3           H2         A   3  -1.791 -13.849  -1.044
   33   1H2*    A   3          1H2*        A   3  -0.067 -13.002  -6.902
   34   2H2*    A   3          2H2*        A   3  -1.901 -13.200  -6.633
   35   1H5*    C   4          1H5*        C   4  -4.965 -13.737  -6.667
   36   2H5*    C   4          2H5*        C   4  -5.556 -12.254  -7.447
   37    H4*    C   4           H4*        C   4  -5.790 -12.387  -4.875
   38    H3*    C   4           H3*        C   4  -4.852 -10.226  -6.671
   39    H1*    C   4           H1*        C   4  -3.983 -11.058  -2.919
   40   1H4     C   4          1H4         C   4   2.205 -10.083  -1.959
   41   2H4     C   4          2H4         C   4   2.563 -10.282  -3.660
   42    H5     C   4           H5         C   4   0.872 -10.693  -5.325
   43    H6     C   4           H6         C   4  -1.524 -11.020  -5.719
   44   1H2*    C   4          1H2*        C   4  -3.269  -9.393  -5.297
   45   2H2*    C   4          2H2*        C   4  -4.608  -9.172  -4.018
   46   1H5*    C   5          1H5*        C   5  -7.457  -9.153  -2.859
   47   2H5*    C   5          2H5*        C   5  -8.495  -7.783  -3.303
   48    H4*    C   5           H4*        C   5  -7.611  -7.577  -0.970
   49    H3*    C   5           H3*        C   5  -7.378  -5.653  -3.174
   50    H1*    C   5           H1*        C   5  -4.823  -6.293  -0.201
   51   1H4     C   5          1H4         C   5   1.008  -6.427  -2.676
   52   2H4     C   5          2H4         C   5   0.385  -6.642  -4.297
   53    H5     C   5           H5         C   5  -1.967  -6.782  -4.800
   54    H6     C   5           H6         C   5  -4.230  -6.729  -3.861
   55   1H2*    C   5          1H2*        C   5  -5.259  -4.964  -2.819
   56   2H2*    C   5          2H2*        C   5  -5.798  -4.475  -1.103
   57   1H5*    A   6          1H5*        A   6  -7.381  -4.866   1.210
   58   2H5*    A   6          2H5*        A   6  -8.586  -3.634   1.640
   59    H4*    A   6           H4*        A   6  -6.702  -3.783   3.302
   60    H3*    A   6           H3*        A   6  -7.830  -1.475   1.986
   61    H1*    A   6           H1*        A   6  -3.922  -1.954   2.715
   62    H8     A   6           H8         A   6  -5.540  -1.518  -0.823
   63   1H6     A   6          1H6         A   6   0.295  -0.934  -2.796
   64   2H6     A   6          2H6         A   6  -1.393  -0.898  -3.257
   65    H2     A   6           H2         A   6   0.398  -1.768   1.612
   66   1H2*    A   6          1H2*        A   6  -5.973  -0.489   1.172
   67   2H2*    A   6          2H2*        A   6  -5.434  -0.310   2.947
   68   1H5*    G   7          1H5*        G   7  -5.146  -1.418   5.277
   69   2H5*    G   7          2H5*        G   7  -5.795  -0.757   6.792
   70    H4*    G   7           H4*        G   7  -3.491  -0.417   7.088
   71    H3*    G   7           H3*        G   7  -5.069   1.901   6.187
   72    H1*    G   7           H1*        G   7  -1.304   1.051   5.149
   73    H8     G   7           H8         G   7  -4.429   1.657   2.866
   74    H1     G   7           H1         G   7   1.271   1.765  -0.074
   75   1H2     G   7          1H2         G   7   2.884   1.360   1.371
   76   2H2     G   7          2H2         G   7   2.575   1.061   3.067
   77   1H2*    G   7          1H2*        G   7  -3.575   2.870   4.825
   78   2H2*    G   7          2H2*        G   7  -2.308   2.755   6.188
   79   1H5*    G   8          1H5*        G   8  -1.184   2.037   8.164
   80   2H5*    G   8          2H5*        G   8  -1.058   3.166   9.529
   81    H4*    G   8           H4*        G   8   1.086   3.057   8.300
   82    H3*    G   8           H3*        G   8  -0.458   5.395   8.918
   83    H1*    G   8           H1*        G   8   1.581   4.822   5.577
   84    H8     G   8           H8         G   8  -2.334   4.908   5.420
   85    H1     G   8           H1         G   8   0.744   5.904  -0.120
   86   1H2     G   8          1H2         G   8   2.923   5.819   0.192
   87   2H2     G   8          2H2         G   8   3.637   5.517   1.759
   88   1H2*    G   8          1H2*        G   8  -0.774   6.204   6.807
   89   2H2*    G   8          2H2*        G   8   1.046   6.596   6.894
   90   1H5*    G   9          1H5*        G   9   4.836   6.867   8.347
   91   2H5*    G   9          2H5*        G   9   4.330   8.440   8.996
   92    H4*    G   9           H4*        G   9   5.822   8.271   6.774
   93    H3*    G   9           H3*        G   9   3.726  10.132   7.800
   94    H1*    G   9           H1*        G   9   4.611   9.093   4.075
   95    H8     G   9           H8         G   9   1.157   8.517   5.805
   96    H1     G   9           H1         G   9   0.990   9.516  -0.531
   97   1H2     G   9          1H2         G   9   3.012   9.952  -1.287
   98   2H2     G   9          2H2         G   9   4.417  10.002  -0.245
   99   1H2*    G   9          1H2*        G   9   2.919  10.773   5.802
  100   2H2*    G   9          2H2*        G   9   4.663  11.033   5.196
  101   1H5*    T  10          1H5*        T  10   7.497  11.946   4.797
  102   2H5*    T  10          2H5*        T  10   7.493  13.558   5.538
  103    H4*    T  10           H4*        T  10   7.516  13.453   2.948
  104    H3*    T  10           H3*        T  10   5.959  15.102   4.862
  105   1H2*    T  10          1H2*        T  10   4.087  15.313   3.635
  106   2H2*    T  10          2H2*        T  10   5.138  15.857   2.194
  107    H1*    T  10           H1*        T  10   4.968  13.832   1.234
  108    H3     T  10           H3         T  10   0.657  12.944   0.505
  109   1H5M    T  10          1H5M        T  10   1.513  12.687   5.842
  110   2H5M    T  10          2H5M        T  10   0.766  11.230   5.145
  111   3H5M    T  10          3H5M        T  10  -0.133  12.766   5.172
  112    H6     T  10           H6         T  10   3.338  13.069   4.492
  113   1H5*    T  11          1H5*        T  11   7.492  16.819   0.552
  114   2H5*    T  11          2H5*        T  11   7.626  18.572   0.795
  115    H4*    T  11           H4*        T  11   6.561  17.828  -1.421
  116    H3*    T  11           H3*        T  11   5.769  19.868   0.546
  117   1H2*    T  11          1H2*        T  11   3.536  19.645   0.436
  118   2H2*    T  11          2H2*        T  11   3.652  19.817  -1.415
  119    H1*    T  11           H1*        T  11   3.333  17.619  -1.680
  120    H3     T  11           H3         T  11  -0.447  16.326   0.300
  121   1H5M    T  11          1H5M        T  11   3.223  17.356   4.163
  122   2H5M    T  11          2H5M        T  11   2.064  16.029   4.411
  123   3H5M    T  11          3H5M        T  11   1.515  17.721   4.500
  124    H6     T  11           H6         T  11   3.824  17.710   2.011
  125   1H5*    G  12          1H5*        G  12   3.958  21.048  -4.453
  126   2H5*    G  12          2H5*        G  12   4.506  22.681  -4.026
  127    H4*    G  12           H4*        G  12   2.154  22.546  -5.016
  128    H3*    G  12           H3*        G  12   3.180  23.926  -2.637
  129    H1*    G  12           H1*        G  12  -0.428  22.238  -2.936
  130    H8     G  12           H8         G  12   2.413  21.726  -0.293
  131    H1     G  12           H1         G  12  -3.231  18.995   1.068
  132   1H2     G  12          1H2         G  12  -4.656  19.332  -0.577
  133   2H2     G  12          2H2         G  12  -4.235  20.226  -2.020
  134    H3T    G  12           H3T        G  12   1.207  25.220  -3.913
  135   1H2*    G  12          1H2*        G  12   1.459  23.686  -1.246
  136   2H2*    G  12          2H2*        G  12   0.315  24.311  -2.576
  137   1H5*    C  13          1H5*        C  13 -10.598  18.027   4.593
  138   2H5*    C  13          2H5*        C  13 -12.010  17.095   4.030
  139    H4*    C  13           H4*        C  13 -11.277  18.084   2.037
  140    H3*    C  13           H3*        C  13 -10.325  15.359   2.508
  141    H1*    C  13           H1*        C  13  -8.298  18.319   0.758
  142   1H4     C  13          1H4         C  13  -2.468  18.104   3.236
  143   2H4     C  13          2H4         C  13  -3.038  17.269   4.664
  144    H5     C  13           H5         C  13  -5.342  16.652   5.000
  145    H6     C  13           H6         C  13  -7.594  16.688   4.034
  146    H5T    C  13           H5T        C  13 -10.954  15.282   4.315
  147   1H2*    C  13          1H2*        C  13  -8.175  15.591   1.887
  148   2H2*    C  13          2H2*        C  13  -8.797  16.194   0.237
  149   1H5*    A  14          1H5*        A  14 -10.652  16.752  -2.052
  150   2H5*    A  14          2H5*        A  14 -10.852  15.308  -3.062
  151    H4*    A  14           H4*        A  14  -9.024  17.007  -3.775
  152    H3*    A  14           H3*        A  14  -9.077  14.057  -3.643
  153    H1*    A  14           H1*        A  14  -6.041  16.555  -3.158
  154    H8     A  14           H8         A  14  -7.251  14.180  -0.291
  155   1H6     A  14          1H6         A  14  -1.426  14.606   1.751
  156   2H6     A  14          2H6         A  14  -3.016  13.947   2.060
  157    H2     A  14           H2         A  14  -1.727  16.930  -2.077
  158   1H2*    A  14          1H2*        A  14  -6.956  13.735  -2.959
  159   2H2*    A  14          2H2*        A  14  -6.402  14.729  -4.434
  160   1H5*    A  15          1H5*        A  15  -6.191  16.246  -7.025
  161   2H5*    A  15          2H5*        A  15  -5.997  14.970  -8.243
  162    H4*    A  15           H4*        A  15  -3.840  16.157  -7.456
  163    H3*    A  15           H3*        A  15  -4.482  13.378  -8.047
  164    H1*    A  15           H1*        A  15  -1.974  14.807  -5.366
  165    H8     A  15           H8         A  15  -5.146  12.913  -4.060
  166   1H6     A  15          1H6         A  15  -1.729  11.850   0.985
  167   2H6     A  15          2H6         A  15  -3.292  11.631   0.232
  168    H2     A  15           H2         A  15   0.805  14.102  -1.957
  169   1H2*    A  15          1H2*        A  15  -3.643  12.441  -6.158
  170   2H2*    A  15          2H2*        A  15  -1.988  13.021  -6.786
  171   1H5*    C  16          1H5*        C  16   0.683  14.421  -8.121
  172   2H5*    C  16          2H5*        C  16   0.984  13.090  -9.255
  173    H4*    C  16           H4*        C  16   2.482  13.203  -7.139
  174    H3*    C  16           H3*        C  16   1.092  10.946  -8.482
  175    H1*    C  16           H1*        C  16   2.295  11.552  -4.804
  176   1H4     C  16          1H4         C  16  -1.889   9.284  -0.619
  177   2H4     C  16          2H4         C  16  -3.203   9.419  -1.766
  178    H5     C  16           H5         C  16  -2.909  10.214  -4.021
  179    H6     C  16           H6         C  16  -1.289  11.032  -5.670
  180   1H2*    C  16          1H2*        C  16   0.614   9.808  -6.588
  181   2H2*    C  16          2H2*        C  16   2.447   9.783  -6.252
  182   1H5*    C  17          1H5*        C  17   5.640  10.459  -6.516
  183   2H5*    C  17          2H5*        C  17   6.287   9.047  -7.377
  184    H4*    C  17           H4*        C  17   6.713   9.178  -4.819
  185    H3*    C  17           H3*        C  17   5.807   6.933  -6.571
  186    H1*    C  17           H1*        C  17   5.250   7.688  -2.740
  187   1H4     C  17          1H4         C  17  -0.615   5.712  -1.365
  188   2H4     C  17          2H4         C  17  -1.144   5.948  -3.015
  189    H5     C  17           H5         C  17   0.324   6.682  -4.779
  190    H6     C  17           H6         C  17   2.609   7.368  -5.337
  191   1H2*    C  17          1H2*        C  17   4.647   5.838  -4.986
  192   2H2*    C  17          2H2*        C  17   6.138   5.947  -3.871
  193   1H5*    C  18          1H5*        C  18   8.785   5.782  -2.725
  194   2H5*    C  18          2H5*        C  18   9.536   4.322  -3.401
  195    H4*    C  18           H4*        C  18   8.523   4.203  -0.986
  196    H3*    C  18           H3*        C  18   8.429   2.315  -3.312
  197    H1*    C  18           H1*        C  18   6.008   2.890  -0.254
  198   1H4     C  18          1H4         C  18   0.133   2.106  -2.495
  199   2H4     C  18          2H4         C  18   0.688   2.162  -4.153
  200    H5     C  18           H5         C  18   2.999   2.465  -4.761
  201    H6     C  18           H6         C  18   5.278   2.766  -3.913
  202   1H2*    C  18          1H2*        C  18   6.521   1.290  -2.698
  203   2H2*    C  18          2H2*        C  18   7.195   1.114  -0.969
  204   1H5*    T  19          1H5*        T  19   8.821   0.370   1.061
  205   2H5*    T  19          2H5*        T  19   9.760  -1.108   0.768
  206    H4*    T  19           H4*        T  19   7.654  -1.414   2.190
  207    H3*    T  19           H3*        T  19   8.767  -2.972   0.011
  208   1H2*    T  19          1H2*        T  19   6.890  -2.949  -1.318
  209   2H2*    T  19          2H2*        T  19   6.236  -4.130  -0.033
  210    H1*    T  19           H1*        T  19   5.060  -2.443   1.043
  211    H3     T  19           H3         T  19   1.503  -1.621  -1.513
  212   1H5M    T  19          1H5M        T  19   4.325   0.467  -4.725
  213   2H5M    T  19          2H5M        T  19   4.748  -1.200  -5.182
  214   3H5M    T  19          3H5M        T  19   5.923  -0.191  -4.303
  215    H6     T  19           H6         T  19   6.229  -1.169  -2.260
  216   1H5*    G  20          1H5*        G  20   7.036  -2.331   4.196
  217   2H5*    G  20          2H5*        G  20   7.674  -2.847   5.771
  218    H4*    G  20           H4*        G  20   5.360  -3.310   5.953
  219    H3*    G  20           H3*        G  20   7.238  -5.502   5.587
  220    H1*    G  20           H1*        G  20   3.508  -5.240   4.354
  221    H8     G  20           H8         G  20   6.397  -5.821   1.777
  222    H1     G  20           H1         G  20   0.429  -6.494  -0.477
  223   1H2     G  20          1H2         G  20  -1.038  -6.055   1.106
  224   2H2     G  20          2H2         G  20  -0.565  -5.595   2.726
  225   1H2*    G  20          1H2*        G  20   6.150  -6.594   3.915
  226   2H2*    G  20          2H2*        G  20   4.825  -6.902   5.189
  227   1H5*    G  21          1H5*        G  21   3.002  -6.003   8.153
  228   2H5*    G  21          2H5*        G  21   3.241  -7.460   9.138
  229    H4*    G  21           H4*        G  21   0.895  -7.167   8.142
  230    H3*    G  21           H3*        G  21   2.717  -9.507   8.164
  231    H1*    G  21           H1*        G  21   0.033  -8.525   5.388
  232    H8     G  21           H8         G  21   3.898  -8.935   4.922
  233    H1     G  21           H1         G  21   0.309  -9.880  -0.310
  234   1H2     G  21          1H2         G  21  -1.828  -9.676   0.182
  235   2H2     G  21          2H2         G  21  -2.389  -9.308   1.797
  236   1H2*    G  21          1H2*        G  21   2.052 -10.465   6.244
  237   2H2*    G  21          2H2*        G  21   0.278 -10.259   6.776
  238   1H5*    T  22          1H5*        T  22  -1.976  -9.693   8.224
  239   2H5*    T  22          2H5*        T  22  -2.544 -11.222   8.927
  240    H4*    T  22           H4*        T  22  -3.664 -10.454   6.719
  241    H3*    T  22           H3*        T  22  -2.648 -13.089   7.627
  242   1H2*    T  22          1H2*        T  22  -1.960 -13.843   5.620
  243   2H2*    T  22          2H2*        T  22  -3.665 -13.477   4.962
  244    H1*    T  22           H1*        T  22  -2.958 -11.567   3.987
  245    H3     T  22           H3         T  22  -0.031 -13.081   0.948
  246   1H5M    T  22          1H5M        T  22   3.306 -13.574   4.173
  247   2H5M    T  22          2H5M        T  22   2.469 -13.194   5.697
  248   3H5M    T  22          3H5M        T  22   3.141 -11.881   4.699
  249    H6     T  22           H6         T  22   0.273 -12.209   5.664
  250   1H5*    T  23          1H5*        T  23  -6.115 -12.678   4.430
  251   2H5*    T  23          2H5*        T  23  -7.346 -13.801   5.042
  252    H4*    T  23           H4*        T  23  -7.280 -13.858   2.569
  253    H3*    T  23           H3*        T  23  -6.839 -16.109   4.387
  254   1H2*    T  23          1H2*        T  23  -5.170 -17.165   3.317
  255   2H2*    T  23          2H2*        T  23  -6.240 -17.185   1.789
  256    H1*    T  23           H1*        T  23  -5.020 -15.552   0.864
  257    H3     T  23           H3         T  23  -0.646 -16.387   0.663
  258   1H5M    T  23          1H5M        T  23  -0.450 -15.542   5.412
  259   2H5M    T  23          2H5M        T  23  -0.830 -17.283   5.416
  260   3H5M    T  23          3H5M        T  23  -2.071 -16.098   5.893
  261    H6     T  23           H6         T  23  -3.685 -15.792   4.338
  262   1H5*    G  24          1H5*        G  24  -8.791 -17.576  -0.034
  263   2H5*    G  24          2H5*        G  24  -9.751 -18.926   0.605
  264    H4*    G  24           H4*        G  24  -8.394 -19.492  -1.467
  265    H3*    G  24           H3*        G  24  -8.651 -20.876   1.086
  266    H1*    G  24           H1*        G  24  -5.362 -20.693  -1.148
  267    H8     G  24           H8         G  24  -5.709 -19.483   2.561
  268    H1     G  24           H1         G  24   0.273 -19.970   0.295
  269   1H2     G  24          1H2         G  24   0.241 -20.612  -1.812
  270   2H2     G  24          2H2         G  24  -1.247 -20.925  -2.676
  271    H3T    G  24           H3T        G  24  -8.213 -22.533  -0.951
  272   1H2*    G  24          1H2*        G  24  -6.527 -21.446   1.460
  273   2H2*    G  24          2H2*        G  24  -6.545 -22.333  -0.179
  Start of MODEL   11
    1   1H5*    C   1          1H5*        C   1   7.826 -23.862  -2.057
    2   2H5*    C   1          2H5*        C   1   8.950 -22.638  -2.704
    3    H4*    C   1           H4*        C   1   6.874 -23.039  -4.105
    4    H3*    C   1           H3*        C   1   8.007 -20.548  -3.130
    5    H1*    C   1           H1*        C   1   4.090 -21.326  -3.418
    6   1H4     C   1          1H4         C   1   1.577 -19.566   2.125
    7   2H4     C   1          2H4         C   1   3.144 -19.548   2.903
    8    H5     C   1           H5         C   1   5.190 -20.107   1.763
    9    H6     C   1           H6         C   1   6.181 -20.784  -0.376
   10    H5T    C   1           H5T        C   1   8.672 -22.320  -0.506
   11   1H2*    C   1          1H2*        C   1   6.165 -19.527  -2.341
   12   2H2*    C   1          2H2*        C   1   5.459 -19.672  -4.061
   13   1H5*    A   2          1H5*        A   2   5.329 -20.317  -7.383
   14   2H5*    A   2          2H5*        A   2   5.840 -18.765  -8.079
   15    H4*    A   2           H4*        A   2   3.289 -19.262  -8.005
   16    H3*    A   2           H3*        A   2   4.874 -16.830  -7.360
   17    H1*    A   2           H1*        A   2   1.480 -18.021  -5.632
   18    H8     A   2           H8         A   2   4.999 -17.317  -4.054
   19   1H6     A   2          1H6         A   2   1.830 -16.399   1.179
   20   2H6     A   2          2H6         A   2   3.415 -16.429   0.442
   21    H2     A   2           H2         A   2  -1.113 -17.327  -2.079
   22   1H2*    A   2          1H2*        A   2   3.480 -15.919  -5.851
   23   2H2*    A   2          2H2*        A   2   2.027 -16.308  -6.952
   24   1H5*    A   3          1H5*        A   3   0.640 -16.841  -9.210
   25   2H5*    A   3          2H5*        A   3   0.224 -15.345 -10.072
   26    H4*    A   3           H4*        A   3  -1.544 -16.254  -8.424
   27    H3*    A   3           H3*        A   3  -0.579 -13.577  -9.025
   28    H1*    A   3           H1*        A   3  -1.683 -14.957  -5.457
   29    H8     A   3           H8         A   3   2.080 -14.163  -6.171
   30   1H6     A   3          1H6         A   3   2.409 -13.022  -0.100
   31   2H6     A   3          2H6         A   3   3.303 -13.104  -1.601
   32    H2     A   3           H2         A   3  -1.856 -14.002  -1.097
   33   1H2*    A   3          1H2*        A   3  -0.209 -12.832  -6.928
   34   2H2*    A   3          2H2*        A   3  -2.036 -13.072  -6.649
   35   1H5*    C   4          1H5*        C   4  -5.087 -13.645  -6.668
   36   2H5*    C   4          2H5*        C   4  -5.705 -12.133  -7.367
   37    H4*    C   4           H4*        C   4  -5.901 -12.395  -4.801
   38    H3*    C   4           H3*        C   4  -5.022 -10.138  -6.505
   39    H1*    C   4           H1*        C   4  -4.080 -11.135  -2.812
   40   1H4     C   4          1H4         C   4   2.110 -10.137  -1.885
   41   2H4     C   4          2H4         C   4   2.444 -10.228  -3.600
   42    H5     C   4           H5         C   4   0.740 -10.602  -5.259
   43    H6     C   4           H6         C   4  -1.659 -10.939  -5.638
   44   1H2*    C   4          1H2*        C   4  -3.420  -9.354  -5.123
   45   2H2*    C   4          2H2*        C   4  -4.738  -9.205  -3.812
   46   1H5*    C   5          1H5*        C   5  -7.570  -9.256  -2.567
   47   2H5*    C   5          2H5*        C   5  -8.605  -7.866  -2.949
   48    H4*    C   5           H4*        C   5  -7.673  -7.768  -0.617
   49    H3*    C   5           H3*        C   5  -7.551  -5.746  -2.731
   50    H1*    C   5           H1*        C   5  -4.883  -6.461   0.118
   51   1H4     C   5          1H4         C   5   0.886  -6.437  -2.503
   52   2H4     C   5          2H4         C   5   0.226  -6.626  -4.112
   53    H5     C   5           H5         C   5  -2.136  -6.760  -4.563
   54    H6     C   5           H6         C   5  -4.376  -6.764  -3.568
   55   1H2*    C   5          1H2*        C   5  -5.414  -5.072  -2.458
   56   2H2*    C   5          2H2*        C   5  -5.886  -4.619  -0.712
   57   1H5*    A   6          1H5*        A   6  -7.296  -5.017   1.777
   58   2H5*    A   6          2H5*        A   6  -8.545  -3.813   2.163
   59    H4*    A   6           H4*        A   6  -6.641  -3.802   3.806
   60    H3*    A   6           H3*        A   6  -7.856  -1.605   2.373
   61    H1*    A   6           H1*        A   6  -3.934  -1.924   3.116
   62    H8     A   6           H8         A   6  -5.582  -1.672  -0.425
   63   1H6     A   6          1H6         A   6   0.225  -1.018  -2.459
   64   2H6     A   6          2H6         A   6  -1.467  -1.041  -2.909
   65    H2     A   6           H2         A   6   0.374  -1.678   1.978
   66   1H2*    A   6          1H2*        A   6  -6.033  -0.584   1.527
   67   2H2*    A   6          2H2*        A   6  -5.498  -0.324   3.293
   68   1H5*    G   7          1H5*        G   7  -5.211  -1.306   5.697
   69   2H5*    G   7          2H5*        G   7  -5.898  -0.583   7.166
   70    H4*    G   7           H4*        G   7  -3.601  -0.175   7.460
   71    H3*    G   7           H3*        G   7  -5.253   2.052   6.480
   72    H1*    G   7           H1*        G   7  -1.458   1.298   5.483
   73    H8     G   7           H8         G   7  -4.569   1.672   3.134
   74    H1     G   7           H1         G   7   1.167   1.898   0.270
   75   1H2     G   7          1H2         G   7   2.771   1.628   1.754
   76   2H2     G   7          2H2         G   7   2.449   1.391   3.458
   77   1H2*    G   7          1H2*        G   7  -3.806   3.001   5.052
   78   2H2*    G   7          2H2*        G   7  -2.535   3.019   6.416
   79   1H5*    G   8          1H5*        G   8  -1.404   2.350   8.419
   80   2H5*    G   8          2H5*        G   8  -1.270   3.494   9.770
   81    H4*    G   8           H4*        G   8   0.866   3.390   8.542
   82    H3*    G   8           H3*        G   8  -0.709   5.733   9.080
   83    H1*    G   8           H1*        G   8   1.376   5.063   5.792
   84    H8     G   8           H8         G   8  -2.535   5.140   5.558
   85    H1     G   8           H1         G   8   0.646   5.991   0.052
   86   1H2     G   8          1H2         G   8   2.819   5.919   0.407
   87   2H2     G   8          2H2         G   8   3.504   5.663   1.996
   88   1H2*    G   8          1H2*        G   8  -1.002   6.478   6.942
   89   2H2*    G   8          2H2*        G   8   0.815   6.882   7.039
   90   1H5*    G   9          1H5*        G   9   4.585   7.178   8.554
   91   2H5*    G   9          2H5*        G   9   4.089   8.778   9.137
   92    H4*    G   9           H4*        G   9   5.622   8.510   6.954
   93    H3*    G   9           H3*        G   9   3.536  10.435   7.874
   94    H1*    G   9           H1*        G   9   4.463   9.253   4.202
   95    H8     G   9           H8         G   9   0.983   8.762   5.901
   96    H1     G   9           H1         G   9   0.904   9.596  -0.461
   97   1H2     G   9          1H2         G   9   2.937   9.994  -1.202
   98   2H2     G   9          2H2         G   9   4.330  10.060  -0.145
   99   1H2*    G   9          1H2*        G   9   2.773  11.019   5.840
  100   2H2*    G   9          2H2*        G   9   4.531  11.229   5.256
  101   1H5*    T  10          1H5*        T  10   7.378  12.084   4.876
  102   2H5*    T  10          2H5*        T  10   7.391  13.722   5.560
  103    H4*    T  10           H4*        T  10   7.455  13.524   2.975
  104    H3*    T  10           H3*        T  10   5.900  15.269   4.802
  105   1H2*    T  10          1H2*        T  10   4.052  15.472   3.541
  106   2H2*    T  10          2H2*        T  10   5.134  15.940   2.096
  107    H1*    T  10           H1*        T  10   4.935  13.886   1.209
  108    H3     T  10           H3         T  10   0.616  13.054   0.461
  109   1H5M    T  10          1H5M        T  10   0.643  11.505   5.160
  110   2H5M    T  10          2H5M        T  10  -0.234  13.054   5.118
  111   3H5M    T  10          3H5M        T  10   1.403  12.975   5.813
  112    H6     T  10           H6         T  10   3.253  13.269   4.472
  113   1H5*    T  11          1H5*        T  11   7.538  16.782   0.457
  114   2H5*    T  11          2H5*        T  11   7.710  18.540   0.634
  115    H4*    T  11           H4*        T  11   6.672  17.731  -1.574
  116    H3*    T  11           H3*        T  11   5.893  19.870   0.291
  117   1H2*    T  11          1H2*        T  11   3.659  19.698   0.149
  118   2H2*    T  11          2H2*        T  11   3.811  19.783  -1.706
  119    H1*    T  11           H1*        T  11   3.434  17.586  -1.877
  120    H3     T  11           H3         T  11  -0.399  16.473   0.114
  121   1H5M    T  11          1H5M        T  11   1.560  18.007   4.270
  122   2H5M    T  11          2H5M        T  11   3.259  17.569   3.971
  123   3H5M    T  11          3H5M        T  11   2.049  16.295   4.263
  124    H6     T  11           H6         T  11   3.888  17.824   1.812
  125   1H5*    G  12          1H5*        G  12   4.195  20.877  -4.791
  126   2H5*    G  12          2H5*        G  12   4.781  22.511  -4.420
  127    H4*    G  12           H4*        G  12   2.440  22.397  -5.446
  128    H3*    G  12           H3*        G  12   3.467  23.849  -3.109
  129    H1*    G  12           H1*        G  12  -0.180  22.244  -3.391
  130    H8     G  12           H8         G  12   2.618  21.787  -0.693
  131    H1     G  12           H1         G  12  -3.099  19.240   0.715
  132   1H2     G  12          1H2         G  12  -4.498  19.533  -0.961
  133   2H2     G  12          2H2         G  12  -4.040  20.354  -2.436
  134    H3T    G  12           H3T        G  12   1.554  25.142  -4.475
  135   1H2*    G  12          1H2*        G  12   1.717  23.723  -1.741
  136   2H2*    G  12          2H2*        G  12   0.613  24.311  -3.121
  137   1H5*    C  13          1H5*        C  13 -10.589  18.770   4.151
  138   2H5*    C  13          2H5*        C  13 -12.004  17.842   3.590
  139    H4*    C  13           H4*        C  13 -11.168  18.711   1.579
  140    H3*    C  13           H3*        C  13 -10.341  15.979   2.223
  141    H1*    C  13           H1*        C  13  -8.146  18.757   0.380
  142   1H4     C  13          1H4         C  13  -2.407  18.438   3.048
  143   2H4     C  13          2H4         C  13  -3.050  17.684   4.490
  144    H5     C  13           H5         C  13  -5.386  17.175   4.783
  145    H6     C  13           H6         C  13  -7.605  17.254   3.747
  146    H5T    C  13           H5T        C  13 -11.097  16.156   4.384
  147   1H2*    C  13          1H2*        C  13  -8.170  16.089   1.643
  148   2H2*    C  13          2H2*        C  13  -8.727  16.634  -0.050
  149   1H5*    A  14          1H5*        A  14 -10.544  17.151  -2.385
  150   2H5*    A  14          2H5*        A  14 -10.773  15.681  -3.353
  151    H4*    A  14           H4*        A  14  -8.877  17.296  -4.083
  152    H3*    A  14           H3*        A  14  -9.031  14.355  -3.858
  153    H1*    A  14           H1*        A  14  -5.921  16.768  -3.404
  154    H8     A  14           H8         A  14  -7.252  14.530  -0.480
  155   1H6     A  14          1H6         A  14  -1.447  14.832   1.639
  156   2H6     A  14          2H6         A  14  -3.063  14.237   1.945
  157    H2     A  14           H2         A  14  -1.614  17.037  -2.266
  158   1H2*    A  14          1H2*        A  14  -6.932  13.987  -3.127
  159   2H2*    A  14          2H2*        A  14  -6.322  14.913  -4.625
  160   1H5*    A  15          1H5*        A  15  -6.030  16.340  -7.269
  161   2H5*    A  15          2H5*        A  15  -5.855  15.017  -8.440
  162    H4*    A  15           H4*        A  15  -3.675  16.169  -7.657
  163    H3*    A  15           H3*        A  15  -4.391  13.389  -8.165
  164    H1*    A  15           H1*        A  15  -1.879  14.840  -5.500
  165    H8     A  15           H8         A  15  -5.120  13.077  -4.181
  166   1H6     A  15          1H6         A  15  -1.804  12.085   0.946
  167   2H6     A  15          2H6         A  15  -3.363  11.889   0.179
  168    H2     A  15           H2         A  15   0.832  14.170  -2.028
  169   1H2*    A  15          1H2*        A  15  -3.597  12.492  -6.237
  170   2H2*    A  15          2H2*        A  15  -1.920  13.013  -6.863
  171   1H5*    C  16          1H5*        C  16   0.789  14.312  -8.216
  172   2H5*    C  16          2H5*        C  16   1.082  12.938  -9.301
  173    H4*    C  16           H4*        C  16   2.554  13.103  -7.169
  174    H3*    C  16           H3*        C  16   1.154  10.822  -8.459
  175    H1*    C  16           H1*        C  16   2.320  11.529  -4.789
  176   1H4     C  16          1H4         C  16  -1.935   9.425  -0.589
  177   2H4     C  16          2H4         C  16  -3.240   9.581  -1.743
  178    H5     C  16           H5         C  16  -2.911  10.300  -4.018
  179    H6     C  16           H6         C  16  -1.263  11.046  -5.673
  180   1H2*    C  16          1H2*        C  16   0.638   9.750  -6.536
  181   2H2*    C  16          2H2*        C  16   2.466   9.713  -6.178
  182   1H5*    C  17          1H5*        C  17   5.673  10.333  -6.401
  183   2H5*    C  17          2H5*        C  17   6.307   8.900  -7.235
  184    H4*    C  17           H4*        C  17   6.720   9.061  -4.679
  185    H3*    C  17           H3*        C  17   5.781   6.805  -6.398
  186    H1*    C  17           H1*        C  17   5.225   7.634  -2.582
  187   1H4     C  17          1H4         C  17  -0.677   5.780  -1.188
  188   2H4     C  17          2H4         C  17  -1.200   6.010  -2.841
  189    H5     C  17           H5         C  17   0.283   6.688  -4.614
  190    H6     C  17           H6         C  17   2.582   7.323  -5.179
  191   1H2*    C  17          1H2*        C  17   4.594   5.758  -4.800
  192   2H2*    C  17          2H2*        C  17   6.081   5.857  -3.680
  193   1H5*    C  18          1H5*        C  18   8.799   5.631  -2.580
  194   2H5*    C  18          2H5*        C  18   9.495   4.138  -3.242
  195    H4*    C  18           H4*        C  18   8.516   4.095  -0.808
  196    H3*    C  18           H3*        C  18   8.341   2.166  -3.095
  197    H1*    C  18           H1*        C  18   5.978   2.867  -0.018
  198   1H4     C  18          1H4         C  18   0.054   2.191  -2.163
  199   2H4     C  18          2H4         C  18   0.585   2.223  -3.829
  200    H5     C  18           H5         C  18   2.896   2.437  -4.475
  201    H6     C  18           H6         C  18   5.194   2.692  -3.664
  202   1H2*    C  18          1H2*        C  18   6.414   1.208  -2.437
  203   2H2*    C  18          2H2*        C  18   7.105   1.044  -0.715
  204   1H5*    T  19          1H5*        T  19   8.818   0.157   1.260
  205   2H5*    T  19          2H5*        T  19   9.733  -1.321   0.900
  206    H4*    T  19           H4*        T  19   7.655  -1.645   2.360
  207    H3*    T  19           H3*        T  19   8.706  -3.151   0.116
  208   1H2*    T  19          1H2*        T  19   6.804  -3.087  -1.171
  209   2H2*    T  19          2H2*        T  19   6.161  -4.284   0.104
  210    H1*    T  19           H1*        T  19   5.020  -2.610   1.228
  211    H3     T  19           H3         T  19   1.444  -1.664  -1.258
  212   1H5M    T  19          1H5M        T  19   4.266   0.451  -4.458
  213   2H5M    T  19          2H5M        T  19   4.639  -1.215  -4.964
  214   3H5M    T  19          3H5M        T  19   5.853  -0.259  -4.080
  215    H6     T  19           H6         T  19   6.167  -1.278  -2.061
  216   1H5*    G  20          1H5*        G  20   7.102  -2.631   4.394
  217   2H5*    G  20          2H5*        G  20   7.784  -3.228   5.921
  218    H4*    G  20           H4*        G  20   5.465  -3.660   6.153
  219    H3*    G  20           H3*        G  20   7.302  -5.859   5.655
  220    H1*    G  20           H1*        G  20   3.546  -5.512   4.533
  221    H8     G  20           H8         G  20   6.356  -6.034   1.860
  222    H1     G  20           H1         G  20   0.322  -6.525  -0.260
  223   1H2     G  20          1H2         G  20  -1.097  -6.124   1.376
  224   2H2     G  20          2H2         G  20  -0.575  -5.733   2.999
  225   1H2*    G  20          1H2*        G  20   6.160  -6.872   3.969
  226   2H2*    G  20          2H2*        G  20   4.867  -7.219   5.266
  227   1H5*    G  21          1H5*        G  21   3.109  -6.439   8.313
  228   2H5*    G  21          2H5*        G  21   3.382  -7.940   9.220
  229    H4*    G  21           H4*        G  21   1.007  -7.605   8.302
  230    H3*    G  21           H3*        G  21   2.829  -9.940   8.185
  231    H1*    G  21           H1*        G  21   0.077  -8.855   5.514
  232    H8     G  21           H8         G  21   3.931  -9.243   4.938
  233    H1     G  21           H1         G  21   0.216  -9.950  -0.244
  234   1H2     G  21          1H2         G  21  -1.909  -9.765   0.307
  235   2H2     G  21          2H2         G  21  -2.430  -9.467   1.950
  236   1H2*    G  21          1H2*        G  21   2.126 -10.819   6.240
  237   2H2*    G  21          2H2*        G  21   0.365 -10.645   6.822
  238   1H5*    T  22          1H5*        T  22  -1.918 -10.211   8.347
  239   2H5*    T  22          2H5*        T  22  -2.385 -11.794   9.004
  240    H4*    T  22           H4*        T  22  -3.614 -10.991   6.864
  241    H3*    T  22           H3*        T  22  -2.455 -13.609   7.638
  242   1H2*    T  22          1H2*        T  22  -1.813 -14.265   5.583
  243   2H2*    T  22          2H2*        T  22  -3.552 -13.941   4.996
  244    H1*    T  22           H1*        T  22  -2.946 -11.973   4.067
  245    H3     T  22           H3         T  22  -0.050 -13.245   0.894
  246   1H5M    T  22          1H5M        T  22   2.579 -13.432   5.578
  247   2H5M    T  22          2H5M        T  22   3.191 -12.091   4.583
  248   3H5M    T  22          3H5M        T  22   3.380 -13.769   4.025
  249    H6     T  22           H6         T  22   0.353 -12.557   5.633
  250   1H5*    T  23          1H5*        T  23  -6.061 -13.215   4.595
  251   2H5*    T  23          2H5*        T  23  -7.220 -14.418   5.195
  252    H4*    T  23           H4*        T  23  -7.235 -14.345   2.718
  253    H3*    T  23           H3*        T  23  -6.680 -16.662   4.413
  254   1H2*    T  23          1H2*        T  23  -5.001 -17.612   3.262
  255   2H2*    T  23          2H2*        T  23  -6.113 -17.611   1.763
  256    H1*    T  23           H1*        T  23  -4.980 -15.898   0.871
  257    H3     T  23           H3         T  23  -0.592 -16.590   0.499
  258   1H5M    T  23          1H5M        T  23  -1.852 -16.541   5.778
  259   2H5M    T  23          2H5M        T  23  -0.265 -15.917   5.267
  260   3H5M    T  23          3H5M        T  23  -0.591 -17.666   5.220
  261    H6     T  23           H6         T  23  -3.524 -16.229   4.289
  262   1H5*    G  24          1H5*        G  24  -8.693 -18.008  -0.035
  263   2H5*    G  24          2H5*        G  24  -9.597 -19.405   0.585
  264    H4*    G  24           H4*        G  24  -8.282 -19.865  -1.542
  265    H3*    G  24           H3*        G  24  -8.432 -21.337   0.971
  266    H1*    G  24           H1*        G  24  -5.210 -20.985  -1.339
  267    H8     G  24           H8         G  24  -5.498 -19.909   2.417
  268    H1     G  24           H1         G  24   0.437 -20.141  -0.009
  269   1H2     G  24          1H2         G  24   0.371 -20.713  -2.135
  270   2H2     G  24          2H2         G  24  -1.128 -21.043  -2.974
  271    H3T    G  24           H3T        G  24  -8.004 -22.917  -1.128
  272   1H2*    G  24          1H2*        G  24  -6.284 -21.860   1.269
  273   2H2*    G  24          2H2*        G  24  -6.321 -22.691  -0.398
  Start of MODEL   12
    1   1H5*    C   1          1H5*        C   1   8.383 -22.572  -3.572
    2   2H5*    C   1          2H5*        C   1   9.506 -21.981  -4.825
    3    H4*    C   1           H4*        C   1   7.452 -21.851  -5.941
    4    H3*    C   1           H3*        C   1   8.399 -19.377  -4.753
    5    H1*    C   1           H1*        C   1   4.583 -20.568  -4.863
    6   1H4     C   1          1H4         C   1   2.303 -19.777   0.996
    7   2H4     C   1          2H4         C   1   3.910 -19.666   1.675
    8    H5     C   1           H5         C   1   5.917 -19.856   0.357
    9    H6     C   1           H6         C   1   6.817 -20.155  -1.903
   10    H5T    C   1           H5T        C   1  10.041 -20.529  -3.444
   11   1H2*    C   1          1H2*        C   1   6.538 -18.687  -3.692
   12   2H2*    C   1          2H2*        C   1   5.704 -18.690  -5.360
   13   1H5*    A   2          1H5*        A   2   5.397 -18.974  -8.708
   14   2H5*    A   2          2H5*        A   2   5.640 -17.311  -9.279
   15    H4*    A   2           H4*        A   2   3.189 -18.144  -9.030
   16    H3*    A   2           H3*        A   2   4.524 -15.595  -8.290
   17    H1*    A   2           H1*        A   2   1.479 -17.382  -6.435
   18    H8     A   2           H8         A   2   4.997 -16.433  -4.992
   19   1H6     A   2          1H6         A   2   2.109 -16.408   0.480
   20   2H6     A   2          2H6         A   2   3.643 -16.226  -0.340
   21    H2     A   2           H2         A   2  -0.930 -17.344  -2.688
   22   1H2*    A   2          1H2*        A   2   3.226 -15.042  -6.543
   23   2H2*    A   2          2H2*        A   2   1.710 -15.458  -7.545
   24   1H5*    A   3          1H5*        A   3   0.004 -15.890  -9.681
   25   2H5*    A   3          2H5*        A   3  -0.523 -14.321 -10.326
   26    H4*    A   3           H4*        A   3  -2.115 -15.480  -8.649
   27    H3*    A   3           H3*        A   3  -1.282 -12.714  -9.022
   28    H1*    A   3           H1*        A   3  -2.065 -14.534  -5.573
   29    H8     A   3           H8         A   3   1.600 -13.471  -6.437
   30   1H6     A   3          1H6         A   3   2.316 -13.016  -0.310
   31   2H6     A   3          2H6         A   3   3.111 -12.915  -1.865
   32    H2     A   3           H2         A   3  -1.958 -14.114  -1.128
   33   1H2*    A   3          1H2*        A   3  -0.784 -12.189  -6.885
   34   2H2*    A   3          2H2*        A   3  -2.574 -12.541  -6.505
   35   1H5*    C   4          1H5*        C   4  -5.597 -13.223  -6.351
   36   2H5*    C   4          2H5*        C   4  -6.305 -11.668  -6.837
   37    H4*    C   4           H4*        C   4  -6.300 -12.201  -4.306
   38    H3*    C   4           H3*        C   4  -5.610  -9.753  -5.818
   39    H1*    C   4           H1*        C   4  -4.384 -11.102  -2.332
   40   1H4     C   4          1H4         C   4   1.833 -10.058  -1.675
   41   2H4     C   4          2H4         C   4   2.061  -9.949  -3.406
   42    H5     C   4           H5         C   4   0.264 -10.197  -4.991
   43    H6     C   4           H6         C   4  -2.146 -10.554  -5.260
   44   1H2*    C   4          1H2*        C   4  -3.907  -9.084  -4.494
   45   2H2*    C   4          2H2*        C   4  -5.125  -9.084  -3.082
   46   1H5*    C   5          1H5*        C   5  -7.962  -9.252  -1.602
   47   2H5*    C   5          2H5*        C   5  -8.977  -7.817  -1.847
   48    H4*    C   5           H4*        C   5  -7.898  -7.926   0.441
   49    H3*    C   5           H3*        C   5  -7.987  -5.742  -1.497
   50    H1*    C   5           H1*        C   5  -5.101  -6.607   1.073
   51   1H4     C   5          1H4         C   5   0.512  -6.320  -1.851
   52   2H4     C   5          2H4         C   5  -0.233  -6.420  -3.431
   53    H5     C   5           H5         C   5  -2.616  -6.542  -3.760
   54    H6     C   5           H6         C   5  -4.797  -6.645  -2.647
   55   1H2*    C   5          1H2*        C   5  -5.821  -5.093  -1.395
   56   2H2*    C   5          2H2*        C   5  -6.145  -4.714   0.402
   57   1H5*    A   6          1H5*        A   6  -7.413  -5.018   3.328
   58   2H5*    A   6          2H5*        A   6  -8.690  -3.798   3.513
   59    H4*    A   6           H4*        A   6  -6.769  -3.534   5.148
   60    H3*    A   6           H3*        A   6  -8.100  -1.585   3.460
   61    H1*    A   6           H1*        A   6  -4.162  -1.625   4.209
   62    H8     A   6           H8         A   6  -5.904  -1.790   0.709
   63   1H6     A   6          1H6         A   6  -0.185  -1.089  -1.543
   64   2H6     A   6          2H6         A   6  -1.879  -1.259  -1.942
   65    H2     A   6           H2         A   6   0.105  -1.329   2.930
   66   1H2*    A   6          1H2*        A   6  -6.335  -0.522   2.558
   67   2H2*    A   6          2H2*        A   6  -5.810  -0.110   4.298
   68   1H5*    G   7          1H5*        G   7  -5.565  -0.762   6.920
   69   2H5*    G   7          2H5*        G   7  -6.344   0.218   8.179
   70    H4*    G   7           H4*        G   7  -4.021   0.669   8.447
   71    H3*    G   7           H3*        G   7  -5.777   2.693   7.249
   72    H1*    G   7           H1*        G   7  -1.945   2.028   6.365
   73    H8     G   7           H8         G   7  -4.981   1.904   3.891
   74    H1     G   7           H1         G   7   0.831   2.281   1.204
   75   1H2     G   7          1H2         G   7   2.391   2.316   2.759
   76   2H2     G   7          2H2         G   7   2.018   2.247   4.467
   77   1H2*    G   7          1H2*        G   7  -4.396   3.510   5.678
   78   2H2*    G   7          2H2*        G   7  -3.138   3.806   7.021
   79   1H5*    G   8          1H5*        G   8  -1.996   3.301   9.139
   80   2H5*    G   8          2H5*        G   8  -1.847   4.550  10.392
   81    H4*    G   8           H4*        G   8   0.284   4.335   9.176
   82    H3*    G   8           H3*        G   8  -1.293   6.727   9.483
   83    H1*    G   8           H1*        G   8   0.860   5.727   6.336
   84    H8     G   8           H8         G   8  -3.037   5.823   5.946
   85    H1     G   8           H1         G   8   0.360   6.220   0.518
   86   1H2     G   8          1H2         G   8   2.517   6.169   0.963
   87   2H2     G   8          2H2         G   8   3.138   6.037   2.592
   88   1H2*    G   8          1H2*        G   8  -1.528   7.280   7.280
   89   2H2*    G   8          2H2*        G   8   0.291   7.673   7.382
   90   1H5*    G   9          1H5*        G   9   4.030   8.003   9.004
   91   2H5*    G   9          2H5*        G   9   3.584   9.676   9.396
   92    H4*    G   9           H4*        G   9   5.183   9.114   7.316
   93    H3*    G   9           H3*        G   9   3.162  11.215   7.953
   94    H1*    G   9           H1*        G   9   4.147   9.621   4.454
   95    H8     G   9           H8         G   9   0.606   9.428   6.079
   96    H1     G   9           H1         G   9   0.730   9.724  -0.330
   97   1H2     G   9          1H2         G   9   2.799   9.982  -1.041
   98   2H2     G   9          2H2         G   9   4.164  10.083   0.049
   99   1H2*    G   9          1H2*        G   9   2.504  11.626   5.842
  100   2H2*    G   9          2H2*        G   9   4.291  11.687   5.310
  101   1H5*    T  10          1H5*        T  10   7.160  12.329   4.956
  102   2H5*    T  10          2H5*        T  10   7.265  14.028   5.459
  103    H4*    T  10           H4*        T  10   7.390  13.542   2.915
  104    H3*    T  10           H3*        T  10   5.910  15.576   4.486
  105   1H2*    T  10          1H2*        T  10   4.113  15.757   3.149
  106   2H2*    T  10          2H2*        T  10   5.261  15.993   1.700
  107    H1*    T  10           H1*        T  10   4.947  13.871   1.032
  108    H3     T  10           H3         T  10   0.602  13.242   0.235
  109   1H5M    T  10          1H5M        T  10   1.232  13.719   5.584
  110   2H5M    T  10          2H5M        T  10   0.428  12.213   5.083
  111   3H5M    T  10          3H5M        T  10  -0.377  13.780   4.828
  112    H6     T  10           H6         T  10   3.143  13.724   4.285
  113   1H5*    T  11          1H5*        T  11   7.762  16.487   0.061
  114   2H5*    T  11          2H5*        T  11   8.050  18.238   0.049
  115    H4*    T  11           H4*        T  11   7.021  17.259  -2.092
  116    H3*    T  11           H3*        T  11   6.342  19.638  -0.500
  117   1H2*    T  11          1H2*        T  11   4.104  19.596  -0.692
  118   2H2*    T  11          2H2*        T  11   4.308  19.469  -2.540
  119    H1*    T  11           H1*        T  11   3.788  17.294  -2.487
  120    H3     T  11           H3         T  11  -0.163  16.652  -0.520
  121   1H5M    T  11          1H5M        T  11   2.153  16.785   3.706
  122   2H5M    T  11          2H5M        T  11   1.782  18.514   3.508
  123   3H5M    T  11          3H5M        T  11   3.455  17.933   3.318
  124    H6     T  11           H6         T  11   4.157  17.911   1.168
  125   1H5*    G  12          1H5*        G  12   4.839  20.179  -5.708
  126   2H5*    G  12          2H5*        G  12   5.520  21.806  -5.503
  127    H4*    G  12           H4*        G  12   3.202  21.720  -6.579
  128    H3*    G  12           H3*        G  12   4.265  23.361  -4.390
  129    H1*    G  12           H1*        G  12   0.529  21.960  -4.595
  130    H8     G  12           H8         G  12   3.240  21.653  -1.789
  131    H1     G  12           H1         G  12  -2.651  19.625  -0.254
  132   1H2     G  12          1H2         G  12  -3.995  19.803  -1.990
  133   2H2     G  12          2H2         G  12  -3.457  20.420  -3.536
  134    H3T    G  12           H3T        G  12   2.433  23.992  -6.484
  135   1H2*    G  12          1H2*        G  12   2.477  23.505  -3.073
  136   2H2*    G  12          2H2*        G  12   1.446  23.993  -4.547
  137   1H5*    C  13          1H5*        C  13 -10.422  20.027   2.975
  138   2H5*    C  13          2H5*        C  13 -11.619  18.769   2.572
  139    H4*    C  13           H4*        C  13 -10.747  19.629   0.491
  140    H3*    C  13           H3*        C  13 -10.082  16.940   1.434
  141    H1*    C  13           H1*        C  13  -7.708  19.379  -0.653
  142   1H4     C  13          1H4         C  13  -2.037  18.992   2.154
  143   2H4     C  13          2H4         C  13  -2.752  18.464   3.661
  144    H5     C  13           H5         C  13  -5.114  18.093   3.945
  145    H6     C  13           H6         C  13  -7.309  18.193   2.859
  146    H5T    C  13           H5T        C  13 -10.248  18.068   4.223
  147   1H2*    C  13          1H2*        C  13  -7.906  16.862   0.875
  148   2H2*    C  13          2H2*        C  13  -8.416  17.264  -0.872
  149   1H5*    A  14          1H5*        A  14 -10.251  17.584  -3.255
  150   2H5*    A  14          2H5*        A  14 -10.542  16.041  -4.081
  151    H4*    A  14           H4*        A  14  -8.560  17.480  -4.933
  152    H3*    A  14           H3*        A  14  -8.862  14.588  -4.425
  153    H1*    A  14           H1*        A  14  -5.641  16.878  -4.150
  154    H8     A  14           H8         A  14  -7.123  15.005  -1.048
  155   1H6     A  14          1H6         A  14  -1.351  15.273   1.161
  156   2H6     A  14          2H6         A  14  -2.991  14.753   1.476
  157    H2     A  14           H2         A  14  -1.347  17.074  -2.950
  158   1H2*    A  14          1H2*        A  14  -6.798  14.194  -3.614
  159   2H2*    A  14          2H2*        A  14  -6.117  14.930  -5.185
  160   1H5*    A  15          1H5*        A  15  -5.711  16.065  -7.954
  161   2H5*    A  15          2H5*        A  15  -5.578  14.621  -8.979
  162    H4*    A  15           H4*        A  15  -3.361  15.746  -8.258
  163    H3*    A  15           H3*        A  15  -4.202  12.965  -8.503
  164    H1*    A  15           H1*        A  15  -1.679  14.560  -5.930
  165    H8     A  15           H8         A  15  -5.029  13.078  -4.539
  166   1H6     A  15          1H6         A  15  -1.883  12.441   0.749
  167   2H6     A  15          2H6         A  15  -3.436  12.260  -0.034
  168    H2     A  15           H2         A  15   0.913  14.119  -2.334
  169   1H2*    A  15          1H2*        A  15  -3.483  12.227  -6.482
  170   2H2*    A  15          2H2*        A  15  -1.773  12.614  -7.114
  171   1H5*    C  16          1H5*        C  16   0.997  13.667  -8.527
  172   2H5*    C  16          2H5*        C  16   1.270  12.181  -9.459
  173    H4*    C  16           H4*        C  16   2.696  12.523  -7.312
  174    H3*    C  16           H3*        C  16   1.264  10.163  -8.412
  175    H1*    C  16           H1*        C  16   2.353  11.198  -4.795
  176   1H4     C  16          1H4         C  16  -2.074   9.611  -0.545
  177   2H4     C  16          2H4         C  16  -3.346   9.719  -1.742
  178    H5     C  16           H5         C  16  -2.934  10.209  -4.064
  179    H6     C  16           H6         C  16  -1.221  10.745  -5.733
  180   1H2*    C  16          1H2*        C  16   0.670   9.299  -6.409
  181   2H2*    C  16          2H2*        C  16   2.486   9.252  -5.996
  182   1H5*    C  17          1H5*        C  17   5.701   9.766  -6.167
  183   2H5*    C  17          2H5*        C  17   6.319   8.246  -6.845
  184    H4*    C  17           H4*        C  17   6.667   8.630  -4.305
  185    H3*    C  17           H3*        C  17   5.693   6.250  -5.830
  186    H1*    C  17           H1*        C  17   5.071   7.457  -2.126
  187   1H4     C  17          1H4         C  17  -0.925   5.932  -0.737
  188   2H4     C  17          2H4         C  17  -1.390   5.984  -2.423
  189    H5     C  17           H5         C  17   0.159   6.457  -4.205
  190    H6     C  17           H6         C  17   2.492   6.969  -4.759
  191   1H2*    C  17          1H2*        C  17   4.440   5.393  -4.170
  192   2H2*    C  17          2H2*        C  17   5.904   5.561  -3.026
  193   1H5*    C  18          1H5*        C  18   8.627   5.414  -1.869
  194   2H5*    C  18          2H5*        C  18   9.342   3.871  -2.382
  195    H4*    C  18           H4*        C  18   8.393   4.016   0.040
  196    H3*    C  18           H3*        C  18   8.095   1.916  -2.083
  197    H1*    C  18           H1*        C  18   5.795   2.932   0.961
  198   1H4     C  18          1H4         C  18  -0.118   2.199  -1.194
  199   2H4     C  18          2H4         C  18   0.434   2.064  -2.849
  200    H5     C  18           H5         C  18   2.758   2.146  -3.476
  201    H6     C  18           H6         C  18   5.051   2.425  -2.661
  202   1H2*    C  18          1H2*        C  18   6.195   1.032  -1.263
  203   2H2*    C  18          2H2*        C  18   6.929   1.061   0.450
  204   1H5*    T  19          1H5*        T  19   8.507  -0.123   2.274
  205   2H5*    T  19          2H5*        T  19   9.410  -1.582   1.823
  206    H4*    T  19           H4*        T  19   7.275  -1.983   3.182
  207    H3*    T  19           H3*        T  19   8.347  -3.301   0.803
  208   1H2*    T  19          1H2*        T  19   6.414  -3.231  -0.418
  209   2H2*    T  19          2H2*        T  19   5.796  -4.460   0.838
  210    H1*    T  19           H1*        T  19   4.697  -2.812   2.041
  211    H3     T  19           H3         T  19   1.069  -1.748  -0.316
  212   1H5M    T  19          1H5M        T  19   4.700  -1.311  -3.923
  213   2H5M    T  19          2H5M        T  19   5.171   0.193  -3.094
  214   3H5M    T  19          3H5M        T  19   3.546   0.038  -3.804
  215    H6     T  19           H6         T  19   5.773  -1.388  -1.233
  216   1H5*    G  20          1H5*        G  20   6.949  -3.261   5.315
  217   2H5*    G  20          2H5*        G  20   7.745  -4.078   6.676
  218    H4*    G  20           H4*        G  20   5.436  -4.574   6.972
  219    H3*    G  20           H3*        G  20   7.289  -6.636   6.076
  220    H1*    G  20           H1*        G  20   3.459  -6.240   5.236
  221    H8     G  20           H8         G  20   6.131  -6.390   2.380
  222    H1     G  20           H1         G  20  -0.001  -6.696   0.523
  223   1H2     G  20          1H2         G  20  -1.336  -6.515   2.266
  224   2H2     G  20          2H2         G  20  -0.734  -6.317   3.896
  225   1H2*    G  20          1H2*        G  20   6.048  -7.480   4.372
  226   2H2*    G  20          2H2*        G  20   4.841  -7.990   5.697
  227   1H5*    G  21          1H5*        G  21   3.291  -7.674   8.882
  228   2H5*    G  21          2H5*        G  21   3.655  -9.268   9.574
  229    H4*    G  21           H4*        G  21   1.225  -8.910   8.840
  230    H3*    G  21           H3*        G  21   3.107 -11.136   8.300
  231    H1*    G  21           H1*        G  21   0.163  -9.805   5.965
  232    H8     G  21           H8         G  21   3.983  -9.984   5.121
  233    H1     G  21           H1         G  21  -0.024 -10.066   0.111
  234   1H2     G  21          1H2         G  21  -2.114 -10.022   0.804
  235   2H2     G  21          2H2         G  21  -2.541  -9.974   2.499
  236   1H2*    G  21          1H2*        G  21   2.312 -11.768   6.296
  237   2H2*    G  21          2H2*        G  21   0.585 -11.744   6.995
  238   1H5*    T  22          1H5*        T  22  -1.686 -11.737   8.671
  239   2H5*    T  22          2H5*        T  22  -1.933 -13.436   9.125
  240    H4*    T  22           H4*        T  22  -3.387 -12.502   7.187
  241    H3*    T  22           H3*        T  22  -1.907 -15.050   7.528
  242   1H2*    T  22          1H2*        T  22  -1.351 -15.360   5.369
  243   2H2*    T  22          2H2*        T  22  -3.150 -15.150   4.929
  244    H1*    T  22           H1*        T  22  -2.806 -13.027   4.245
  245    H3     T  22           H3         T  22   0.002 -13.518   0.790
  246   1H5M    T  22          1H5M        T  22   3.626 -14.209   3.696
  247   2H5M    T  22          2H5M        T  22   2.903 -14.001   5.309
  248   3H5M    T  22          3H5M        T  22   3.382 -12.575   4.358
  249    H6     T  22           H6         T  22   0.627 -13.469   5.554
  250   1H5*    T  23          1H5*        T  23  -5.754 -14.669   4.783
  251   2H5*    T  23          2H5*        T  23  -6.727 -16.070   5.275
  252    H4*    T  23           H4*        T  23  -6.932 -15.660   2.835
  253    H3*    T  23           H3*        T  23  -6.032 -18.109   4.154
  254   1H2*    T  23          1H2*        T  23  -4.347 -18.705   2.794
  255   2H2*    T  23          2H2*        T  23  -5.554 -18.634   1.373
  256    H1*    T  23           H1*        T  23  -4.672 -16.701   0.664
  257    H3     T  23           H3         T  23  -0.276 -16.857  -0.059
  258   1H5M    T  23          1H5M        T  23   0.181 -18.526   4.461
  259   2H5M    T  23          2H5M        T  23  -1.145 -17.631   5.243
  260   3H5M    T  23          3H5M        T  23   0.328 -16.772   4.731
  261    H6     T  23           H6         T  23  -2.944 -17.311   3.912
  262   1H5*    G  24          1H5*        G  24  -8.192 -19.057  -0.343
  263   2H5*    G  24          2H5*        G  24  -8.909 -20.609   0.134
  264    H4*    G  24           H4*        G  24  -7.706 -20.652  -2.104
  265    H3*    G  24           H3*        G  24  -7.538 -22.440   0.193
  266    H1*    G  24           H1*        G  24  -4.533 -21.459  -2.225
  267    H8     G  24           H8         G  24  -4.662 -20.903   1.650
  268    H1     G  24           H1         G  24   1.083 -20.197  -1.118
  269   1H2     G  24          1H2         G  24   0.923 -20.500  -3.293
  270   2H2     G  24          2H2         G  24  -0.591 -20.877  -4.082
  271    H3T    G  24           H3T        G  24  -7.140 -23.191  -2.502
  272   1H2*    G  24          1H2*        G  24  -5.334 -22.763   0.300
  273   2H2*    G  24          2H2*        G  24  -5.403 -23.378  -1.457
  Start of MODEL   13
    1   1H5*    C   1          1H5*        C   1   7.265 -23.196  -2.421
    2   2H5*    C   1          2H5*        C   1   8.600 -22.798  -3.535
    3    H4*    C   1           H4*        C   1   6.726 -22.452  -4.898
    4    H3*    C   1           H3*        C   1   7.859 -20.079  -3.669
    5    H1*    C   1           H1*        C   1   3.941 -20.740  -4.174
    6   1H4     C   1          1H4         C   1   1.251 -19.419   1.407
    7   2H4     C   1          2H4         C   1   2.784 -19.523   2.244
    8    H5     C   1           H5         C   1   4.863 -20.012   1.132
    9    H6     C   1           H6         C   1   5.922 -20.517  -1.021
   10    H5T    C   1           H5T        C   1   8.992 -21.704  -1.675
   11   1H2*    C   1          1H2*        C   1   6.004 -19.093  -2.864
   12   2H2*    C   1          2H2*        C   1   5.367 -19.069  -4.615
   13   1H5*    A   2          1H5*        A   2   5.369 -19.415  -7.990
   14   2H5*    A   2          2H5*        A   2   5.942 -17.822  -8.526
   15    H4*    A   2           H4*        A   2   3.381 -18.255  -8.602
   16    H3*    A   2           H3*        A   2   4.992 -15.933  -7.681
   17    H1*    A   2           H1*        A   2   1.504 -17.180  -6.191
   18    H8     A   2           H8         A   2   4.976 -16.715  -4.432
   19   1H6     A   2          1H6         A   2   1.635 -16.213   0.751
   20   2H6     A   2          2H6         A   2   3.246 -16.206   0.068
   21    H2     A   2           H2         A   2  -1.204 -16.763  -2.682
   22   1H2*    A   2          1H2*        A   2   3.564 -15.127  -6.144
   23   2H2*    A   2          2H2*        A   2   2.146 -15.371  -7.328
   24   1H5*    A   3          1H5*        A   3   0.838 -15.663  -9.679
   25   2H5*    A   3          2H5*        A   3   0.483 -14.084 -10.412
   26    H4*    A   3           H4*        A   3  -1.361 -15.096  -8.915
   27    H3*    A   3           H3*        A   3  -0.316 -12.400  -9.229
   28    H1*    A   3           H1*        A   3  -1.575 -14.079  -5.846
   29    H8     A   3           H8         A   3   2.226 -13.303  -6.357
   30   1H6     A   3          1H6         A   3   2.369 -12.776  -0.195
   31   2H6     A   3          2H6         A   3   3.313 -12.730  -1.668
   32    H2     A   3           H2         A   3  -1.875 -13.565  -1.420
   33   1H2*    A   3          1H2*        A   3   0.000 -11.866  -7.060
   34   2H2*    A   3          2H2*        A   3  -1.842 -12.082  -6.864
   35   1H5*    C   4          1H5*        C   4  -4.907 -12.567  -7.069
   36   2H5*    C   4          2H5*        C   4  -5.465 -10.971  -7.612
   37    H4*    C   4           H4*        C   4  -5.742 -11.519  -5.094
   38    H3*    C   4           H3*        C   4  -4.788  -9.102  -6.517
   39    H1*    C   4           H1*        C   4  -3.965 -10.516  -2.933
   40   1H4     C   4          1H4         C   4   2.202  -9.673  -1.736
   41   2H4     C   4          2H4         C   4   2.590  -9.636  -3.442
   42    H5     C   4           H5         C   4   0.929  -9.802  -5.176
   43    H6     C   4           H6         C   4  -1.462 -10.067  -5.654
   44   1H2*    C   4          1H2*        C   4  -3.223  -8.494  -5.008
   45   2H2*    C   4          2H2*        C   4  -4.580  -8.479  -3.727
   46   1H5*    C   5          1H5*        C   5  -7.422  -8.651  -2.488
   47   2H5*    C   5          2H5*        C   5  -8.324  -7.137  -2.700
   48    H4*    C   5           H4*        C   5  -7.379  -7.508  -0.356
   49    H3*    C   5           H3*        C   5  -7.360  -5.167  -2.092
   50    H1*    C   5           H1*        C   5  -4.598  -6.290   0.505
   51   1H4     C   5          1H4         C   5   1.170  -5.907  -2.089
   52   2H4     C   5          2H4         C   5   0.509  -5.880  -3.709
   53    H5     C   5           H5         C   5  -1.851  -6.002  -4.175
   54    H6     C   5           H6         C   5  -4.090  -6.140  -3.189
   55   1H2*    C   5          1H2*        C   5  -5.174  -4.604  -1.894
   56   2H2*    C   5          2H2*        C   5  -5.551  -4.320  -0.091
   57   1H5*    A   6          1H5*        A   6  -7.216  -4.735   2.906
   58   2H5*    A   6          2H5*        A   6  -8.340  -3.365   3.017
   59    H4*    A   6           H4*        A   6  -6.520  -3.385   4.797
   60    H3*    A   6           H3*        A   6  -7.498  -1.249   3.084
   61    H1*    A   6           H1*        A   6  -3.648  -1.763   4.093
   62    H8     A   6           H8         A   6  -5.204  -1.550   0.512
   63   1H6     A   6          1H6         A   6   0.669  -1.554  -1.434
   64   2H6     A   6          2H6         A   6  -1.008  -1.422  -1.915
   65    H2     A   6           H2         A   6   0.686  -2.013   3.031
   66   1H2*    A   6          1H2*        A   6  -5.566  -0.334   2.391
   67   2H2*    A   6          2H2*        A   6  -5.127  -0.087   4.185
   68   1H5*    G   7          1H5*        G   7  -5.025  -0.921   6.442
   69   2H5*    G   7          2H5*        G   7  -5.682  -0.059   7.849
   70    H4*    G   7           H4*        G   7  -3.364   0.179   8.179
   71    H3*    G   7           H3*        G   7  -4.801   2.472   7.008
   72    H1*    G   7           H1*        G   7  -1.060   1.353   6.130
   73    H8     G   7           H8         G   7  -4.166   1.884   3.802
   74    H1     G   7           H1         G   7   1.525   1.507   0.865
   75   1H2     G   7          1H2         G   7   3.124   1.169   2.341
   76   2H2     G   7          2H2         G   7   2.810   1.035   4.057
   77   1H2*    G   7          1H2*        G   7  -3.209   3.263   5.642
   78   2H2*    G   7          2H2*        G   7  -1.986   3.166   7.044
   79   1H5*    G   8          1H5*        G   8  -0.933   2.683   9.185
   80   2H5*    G   8          2H5*        G   8  -0.790   4.046  10.313
   81    H4*    G   8           H4*        G   8   1.351   3.590   9.093
   82    H3*    G   8           H3*        G   8  -0.064   6.074   9.437
   83    H1*    G   8           H1*        G   8   1.880   4.983   6.148
   84    H8     G   8           H8         G   8  -2.027   5.256   6.140
   85    H1     G   8           H1         G   8   0.847   5.686   0.422
   86   1H2     G   8          1H2         G   8   3.034   5.543   0.654
   87   2H2     G   8          2H2         G   8   3.802   5.340   2.211
   88   1H2*    G   8          1H2*        G   8  -0.274   6.712   7.268
   89   2H2*    G   8          2H2*        G   8   1.579   6.900   7.312
   90   1H5*    G   9          1H5*        G   9   5.274   7.473   8.371
   91   2H5*    G   9          2H5*        G   9   4.688   8.975   9.113
   92    H4*    G   9           H4*        G   9   5.924   9.054   6.767
   93    H3*    G   9           H3*        G   9   3.634  10.549   7.971
   94    H1*    G   9           H1*        G   9   4.460   9.658   4.206
   95    H8     G   9           H8         G   9   1.165   8.664   6.065
   96    H1     G   9           H1         G   9   0.737   9.257  -0.310
   97   1H2     G   9          1H2         G   9   2.665   9.912  -1.145
   98   2H2     G   9          2H2         G   9   4.073  10.210  -0.148
   99   1H2*    G   9          1H2*        G   9   2.580  11.016   6.038
  100   2H2*    G   9          2H2*        G   9   4.200  11.593   5.319
  101   1H5*    T  10          1H5*        T  10   6.966  12.467   5.051
  102   2H5*    T  10          2H5*        T  10   7.035  14.194   5.455
  103    H4*    T  10           H4*        T  10   7.087  13.592   2.942
  104    H3*    T  10           H3*        T  10   5.590  15.637   4.460
  105   1H2*    T  10          1H2*        T  10   3.681  15.586   3.266
  106   2H2*    T  10          2H2*        T  10   4.705  15.895   1.738
  107    H1*    T  10           H1*        T  10   4.589  13.724   1.135
  108    H3     T  10           H3         T  10   0.291  12.757   0.432
  109   1H5M    T  10          1H5M        T  10   0.854  13.589   5.716
  110   2H5M    T  10          2H5M        T  10   0.433  11.891   5.388
  111   3H5M    T  10          3H5M        T  10  -0.716  13.189   4.983
  112    H6     T  10           H6         T  10   2.849  13.546   4.422
  113   1H5*    T  11          1H5*        T  11   7.221  16.397  -0.085
  114   2H5*    T  11          2H5*        T  11   7.422  18.157  -0.208
  115    H4*    T  11           H4*        T  11   6.395  16.988  -2.259
  116    H3*    T  11           H3*        T  11   5.691  19.449  -0.833
  117   1H2*    T  11          1H2*        T  11   3.450  19.335  -0.896
  118   2H2*    T  11          2H2*        T  11   3.555  19.054  -2.735
  119    H1*    T  11           H1*        T  11   3.059  16.895  -2.456
  120    H3     T  11           H3         T  11  -0.639  16.275  -0.048
  121   1H5M    T  11          1H5M        T  11   1.882  16.958   3.925
  122   2H5M    T  11          2H5M        T  11   1.748  18.685   3.515
  123   3H5M    T  11          3H5M        T  11   3.305  17.840   3.320
  124    H6     T  11           H6         T  11   3.763  17.836   1.080
  125   1H5*    G  12          1H5*        G  12   4.516  19.968  -5.322
  126   2H5*    G  12          2H5*        G  12   5.030  21.608  -5.769
  127    H4*    G  12           H4*        G  12   2.709  21.267  -6.484
  128    H3*    G  12           H3*        G  12   3.569  23.213  -4.432
  129    H1*    G  12           H1*        G  12   0.094  21.293  -4.626
  130    H8     G  12           H8         G  12   2.598  21.616  -1.633
  131    H1     G  12           H1         G  12  -3.097  18.990  -0.280
  132   1H2     G  12          1H2         G  12  -4.318  18.834  -2.105
  133   2H2     G  12          2H2         G  12  -3.747  19.371  -3.669
  134    H3T    G  12           H3T        G  12   1.622  23.962  -6.197
  135   1H2*    G  12          1H2*        G  12   1.744  23.222  -3.157
  136   2H2*    G  12          2H2*        G  12   0.692  23.447  -4.679
  137   1H5*    C  13          1H5*        C  13 -11.043  20.072   2.369
  138   2H5*    C  13          2H5*        C  13 -12.170  18.705   2.165
  139    H4*    C  13           H4*        C  13 -11.153  19.155   0.015
  140    H3*    C  13           H3*        C  13 -10.595  16.732   1.525
  141    H1*    C  13           H1*        C  13  -8.016  18.706  -0.789
  142   1H4     C  13          1H4         C  13  -2.607  19.226   2.471
  143   2H4     C  13          2H4         C  13  -3.433  19.010   3.997
  144    H5     C  13           H5         C  13  -5.805  18.636   4.174
  145    H6     C  13           H6         C  13  -7.900  18.394   2.924
  146    H5T    C  13           H5T        C  13 -11.105  17.858   3.741
  147   1H2*    C  13          1H2*        C  13  -8.351  16.647   1.316
  148   2H2*    C  13          2H2*        C  13  -8.631  16.559  -0.525
  149   1H5*    A  14          1H5*        A  14 -10.083  16.190  -3.292
  150   2H5*    A  14          2H5*        A  14 -10.704  14.549  -3.558
  151    H4*    A  14           H4*        A  14  -8.552  15.077  -4.809
  152    H3*    A  14           H3*        A  14  -9.422  12.721  -3.603
  153    H1*    A  14           H1*        A  14  -5.876  13.998  -3.262
  154    H8     A  14           H8         A  14  -7.691  14.227   0.176
  155   1H6     A  14          1H6         A  14  -2.193  16.034   2.364
  156   2H6     A  14          2H6         A  14  -3.836  15.600   2.779
  157    H2     A  14           H2         A  14  -1.840  15.603  -2.088
  158   1H2*    A  14          1H2*        A  14  -8.247  13.139  -1.552
  159   2H2*    A  14          2H2*        A  14  -7.047  12.087  -2.514
  160   1H5*    A  15          1H5*        A  15  -6.611  15.016  -6.878
  161   2H5*    A  15          2H5*        A  15  -6.320  14.444  -8.533
  162    H4*    A  15           H4*        A  15  -4.148  14.916  -7.633
  163    H3*    A  15           H3*        A  15  -5.045  12.132  -8.052
  164    H1*    A  15           H1*        A  15  -2.422  13.714  -5.614
  165    H8     A  15           H8         A  15  -5.413  11.706  -4.065
  166   1H6     A  15          1H6         A  15  -1.793  11.298   0.934
  167   2H6     A  15          2H6         A  15  -3.341  10.875   0.238
  168    H2     A  15           H2         A  15   0.468  13.527  -2.238
  169   1H2*    A  15          1H2*        A  15  -4.091  11.272  -6.186
  170   2H2*    A  15          2H2*        A  15  -2.464  11.821  -6.911
  171   1H5*    C  16          1H5*        C  16   0.056  13.131  -8.489
  172   2H5*    C  16          2H5*        C  16   0.388  11.693  -9.476
  173    H4*    C  16           H4*        C  16   1.938  12.105  -7.439
  174    H3*    C  16           H3*        C  16   0.592   9.649  -8.447
  175    H1*    C  16           H1*        C  16   1.910  10.754  -4.929
  176   1H4     C  16          1H4         C  16  -1.995   8.817  -0.329
  177   2H4     C  16          2H4         C  16  -3.352   8.737  -1.430
  178    H5     C  16           H5         C  16  -3.182   9.266  -3.775
  179    H6     C  16           H6         C  16  -1.669   9.954  -5.575
  180   1H2*    C  16          1H2*        C  16   0.267   8.721  -6.413
  181   2H2*    C  16          2H2*        C  16   2.111   8.836  -6.163
  182   1H5*    C  17          1H5*        C  17   5.221   9.618  -6.674
  183   2H5*    C  17          2H5*        C  17   5.920   8.149  -7.388
  184    H4*    C  17           H4*        C  17   6.450   8.609  -4.894
  185    H3*    C  17           H3*        C  17   5.549   6.117  -6.289
  186    H1*    C  17           H1*        C  17   5.151   7.346  -2.559
  187   1H4     C  17          1H4         C  17  -0.538   5.242  -0.709
  188   2H4     C  17          2H4         C  17  -1.128   5.214  -2.355
  189    H5     C  17           H5         C  17   0.228   5.814  -4.253
  190    H6     C  17           H6         C  17   2.449   6.550  -4.986
  191   1H2*    C  17          1H2*        C  17   4.594   5.168  -4.489
  192   2H2*    C  17          2H2*        C  17   6.127   5.549  -3.500
  193   1H5*    C  18          1H5*        C  18   8.387   5.819  -2.468
  194   2H5*    C  18          2H5*        C  18   9.462   4.462  -2.867
  195    H4*    C  18           H4*        C  18   8.438   4.440  -0.505
  196    H3*    C  18           H3*        C  18   8.559   2.283  -2.578
  197    H1*    C  18           H1*        C  18   6.078   2.941   0.418
  198   1H4     C  18          1H4         C  18   0.339   1.238  -1.658
  199   2H4     C  18          2H4         C  18   0.880   1.202  -3.321
  200    H5     C  18           H5         C  18   3.146   1.679  -3.982
  201    H6     C  18           H6         C  18   5.376   2.328  -3.197
  202   1H2*    C  18          1H2*        C  18   6.772   1.137  -1.829
  203   2H2*    C  18          2H2*        C  18   7.458   1.237  -0.100
  204   1H5*    T  19          1H5*        T  19   9.344   1.173   2.367
  205   2H5*    T  19          2H5*        T  19  10.335  -0.270   2.074
  206    H4*    T  19           H4*        T  19   8.493  -0.488   3.867
  207    H3*    T  19           H3*        T  19   9.279  -2.264   1.625
  208   1H2*    T  19          1H2*        T  19   7.249  -3.121   1.182
  209   2H2*    T  19          2H2*        T  19   7.063  -3.519   2.994
  210    H1*    T  19           H1*        T  19   5.714  -1.749   3.300
  211    H3     T  19           H3         T  19   2.116  -1.838   0.672
  212   1H5M    T  19          1H5M        T  19   6.465  -1.614  -2.530
  213   2H5M    T  19          2H5M        T  19   5.298  -0.303  -2.828
  214   3H5M    T  19          3H5M        T  19   4.848  -1.991  -3.172
  215    H6     T  19           H6         T  19   6.813  -1.396  -0.246
  216   1H5*    G  20          1H5*        G  20   7.660  -3.165   5.532
  217   2H5*    G  20          2H5*        G  20   8.397  -4.488   6.458
  218    H4*    G  20           H4*        G  20   5.999  -4.210   7.047
  219    H3*    G  20           H3*        G  20   7.368  -6.588   6.305
  220    H1*    G  20           H1*        G  20   3.701  -5.710   5.136
  221    H8     G  20           H8         G  20   6.567  -5.679   2.466
  222    H1     G  20           H1         G  20   0.577  -5.825   0.180
  223   1H2     G  20          1H2         G  20  -0.874  -5.803   1.837
  224   2H2     G  20          2H2         G  20  -0.383  -5.751   3.515
  225   1H2*    G  20          1H2*        G  20   6.254  -7.074   4.357
  226   2H2*    G  20          2H2*        G  20   4.905  -7.600   5.530
  227   1H5*    G  21          1H5*        G  21   2.918  -7.018   8.738
  228   2H5*    G  21          2H5*        G  21   3.150  -8.611   9.486
  229    H4*    G  21           H4*        G  21   0.772  -8.091   8.656
  230    H3*    G  21           H3*        G  21   2.482 -10.472   8.344
  231    H1*    G  21           H1*        G  21  -0.165  -9.085   5.690
  232    H8     G  21           H8         G  21   3.705  -9.480   5.234
  233    H1     G  21           H1         G  21   0.203  -9.573  -0.140
  234   1H2     G  21          1H2         G  21  -1.939  -9.398   0.341
  235   2H2     G  21          2H2         G  21  -2.525  -9.257   1.982
  236   1H2*    G  21          1H2*        G  21   1.836 -11.130   6.297
  237   2H2*    G  21          2H2*        G  21   0.060 -10.985   6.843
  238   1H5*    T  22          1H5*        T  22  -2.266 -10.612   8.314
  239   2H5*    T  22          2H5*        T  22  -2.805 -12.229   8.810
  240    H4*    T  22           H4*        T  22  -3.920 -11.209   6.702
  241    H3*    T  22           H3*        T  22  -2.858 -13.917   7.284
  242   1H2*    T  22          1H2*        T  22  -2.143 -14.403   5.205
  243   2H2*    T  22          2H2*        T  22  -3.848 -13.985   4.581
  244    H1*    T  22           H1*        T  22  -3.166 -11.957   3.861
  245    H3     T  22           H3         T  22  -0.176 -12.997   0.691
  246   1H5M    T  22          1H5M        T  22   2.936 -12.296   4.609
  247   2H5M    T  22          2H5M        T  22   3.118 -13.907   3.872
  248   3H5M    T  22          3H5M        T  22   2.260 -13.729   5.421
  249    H6     T  22           H6         T  22   0.055 -12.779   5.485
  250   1H5*    T  23          1H5*        T  23  -6.314 -13.154   4.151
  251   2H5*    T  23          2H5*        T  23  -7.531 -14.368   4.592
  252    H4*    T  23           H4*        T  23  -7.442 -14.078   2.134
  253    H3*    T  23           H3*        T  23  -7.007 -16.552   3.631
  254   1H2*    T  23          1H2*        T  23  -5.305 -17.435   2.461
  255   2H2*    T  23          2H2*        T  23  -6.354 -17.271   0.929
  256    H1*    T  23           H1*        T  23  -5.151 -15.512   0.240
  257    H3     T  23           H3         T  23  -0.768 -16.279  -0.033
  258   1H5M    T  23          1H5M        T  23  -2.231 -16.686   5.178
  259   2H5M    T  23          2H5M        T  23  -0.615 -16.050   4.788
  260   3H5M    T  23          3H5M        T  23  -0.970 -17.780   4.564
  261    H6     T  23           H6         T  23  -3.837 -16.190   3.665
  262   1H5*    G  24          1H5*        G  24  -8.898 -17.447  -0.959
  263   2H5*    G  24          2H5*        G  24  -9.854 -18.875  -0.516
  264    H4*    G  24           H4*        G  24  -8.463 -19.158  -2.622
  265    H3*    G  24           H3*        G  24  -8.739 -20.863  -0.273
  266    H1*    G  24           H1*        G  24  -5.425 -20.361  -2.419
  267    H8     G  24           H8         G  24  -5.832 -19.646   1.411
  268    H1     G  24           H1         G  24   0.184 -19.788  -0.814
  269   1H2     G  24          1H2         G  24   0.184 -20.151  -2.987
  270   2H2     G  24          2H2         G  24  -1.288 -20.363  -3.906
  271    H3T    G  24           H3T        G  24  -8.178 -21.893  -2.811
  272   1H2*    G  24          1H2*        G  24  -6.615 -21.459   0.052
  273   2H2*    G  24          2H2*        G  24  -6.603 -22.125  -1.689