*HEADER    DNA                                     19-SEP-00   1FV7              
*TITLE     A TWO B-Z JUNCTION CONTAINING DNA RESOLVES INTO AN ALL                
*TITLE    2 RIGHT HANDED DOUBLE HELIX                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-D(*CP*GP*CP*GP*(DFC)P*(DFG)P*CP*GP*CP*G)-3';            
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    DNA POLYMORPHISM, L ENANTIOMERY, ANTISENSE                            
*EXPDTA    NMR, 11 STRUCTURES                                                    
*AUTHOR    O.MAUFFRET, C.EL AMRI, F.SANTAMARIA, G TEVANIAN, B.RAYNER,            
*AUTHOR   2 S.FERMANDJIAN                                                        
*REVDAT   1   11-OCT-00 1FV7    0                                                
set echo=off end
set message=off end
!H6/H8-H3'

assign (resid 20 and name h1) (resid 2 and name h1) 3.4 1.6 1.6
assign (resid 2 and name h1) (resid 18 and name h1) 3.4 1.6 1.6
assign (resid 18 and name h1) (resid 4 and name h1) 3.4 1.6 1.6
assign (resid 4 and name h1) (resid 16 and name h1) 2.9 1.1 1.1

assign (resid 10 and name h1) (resid 12 and name h1) 3.4 1.6 1.6
assign (resid 12 and name h1) (resid 8 and name h1) 3.4 1.6 1.6
assign (resid 8 and name h1) (resid 14 and name h1) 3.4 1.6 1.6
assign (resid 14 and name h1) (resid 6 and name h1) 2.9 1.1 1.1

assign (resid 20 and name h1) (resid 1 and name H42) 2.4 0.6 0.6 
assign (resid 20 and name h1) (resid 1 and name H41) 2.9 1.1 1.1
assign (resid 2 and name h1) (resid 19 and name H42) 2.4 0.6 0.6 
assign (resid 2 and name h1) (resid 19 and name H41) 2.9 1.1 1.1
assign (resid 18 and name h1) (resid 3 and name H42) 2.4 0.6 0.6 
assign (resid 18 and name h1) (resid 3 and name H41) 2.9 1.1 1.1
assign (resid 4 and name h1) (resid 17 and name H42) 2.4 0.6 0.6 
assign (resid 4 and name h1) (resid 17 and name H41) 2.9 1.1 1.1
assign (resid 16 and name h1) (resid 5 and name H42) 2.4 0.6 0.6 
assign (resid 16 and name h1) (resid 5 and name H41) 2.9 1.1 1.1

assign (resid 10 and name h1) (resid 11 and name H42) 2.4 0.6 0.6 
assign (resid 10 and name h1) (resid 11 and name H41) 2.9 1.1 1.1
assign (resid 12 and name h1) (resid 9 and name H42) 2.4 0.6 0.6 
assign (resid 12 and name h1) (resid 9 and name H41) 2.9 1.1 1.1
assign (resid 8 and name h1) (resid 13 and name H42) 2.4 0.6 0.6   
assign (resid 8 and name h1) (resid 13 and name H41) 2.9 1.1 1.1
assign (resid 14 and name h1) (resid 7 and name H42) 2.4 0.6 0.6  
assign (resid 14 and name h1) (resid 7 and name H41) 2.9 1.1 1.1
assign (resid 6 and name h1) (resid 15 and name H42) 2.4 0.6 0.6   
assign (resid 6 and name h1) (resid 15 and name H41) 2.9 1.1 1.1

assign (resid 16 and name h1) (resid 4 and name h42 ) 3.4 1.6 1.6 
assign (resid 6 and name h1) (resid 14 and name h42 ) 3.4 1.6 1.6

assign (resid 4 and name h1) (resid 17 and name h7#) 3.4 1.6 1.6
assign (resid 2 and name h1) (resid 19 and name h7#) 3.4 1.6 1.6
assign (resid 18 and name h1) (resid 3 and name h7#) 3.4 1.6 1.6
assign (resid 16 and name h1) (resid 5 and name h2') 4.4 2.6 2.6
assign (resid 16 and name h1) (resid 5 and name h2'') 4.4 2.6 2.6
assign (resid 20 and name h1) (resid 1 and name h7#) 3.4 1.6 1.6

assign (resid 14 and name h1) (resid 7 and name h7#) 3.4 1.6 1.6
assign (resid 12 and name h1) (resid 9 and name h7#) 3.4 1.6 1.6
assign (resid 8 and name h1) (resid 13 and name h7#) 3.4 1.6 1.6
assign (resid 6 and name h1) (resid 15 and name h2') 4.4 2.6 2.6
assign (resid 6 and name h1) (resid 15 and name h2'') 4.4 2.6 2.6
assign (resid 10 and name h1) (resid 11 and name h7#) 3.4 1.6 1.6


assign (resid 3 and name h7#) (resid 2 and name h8) 2.9 1.1 1.1
assign (resid 7 and name h7#) (resid 6 and name h8) 2.9 1.1 1.1
assign (resid 9 and name h7#) (resid 8 and name h8) 2.9 1.1 1.1
assign (resid 13 and name h7#) (resid 12 and name h8) 2.9 1.1 1.1
assign (resid 17 and name h7#) (resid 16 and name h8) 2.9 1.1 1.1
assign (resid 19 and name h7#) (resid 18 and name h8) 2.9 1.1 1.1

assign (resid 3 and name h7#) (resid 2 and name h1') 3.4 1.6 1.6
assign (resid 7 and name h7#) (resid 6 and name h1') 2.9 1.1 1.1
assign (resid 9 and name h7#) (resid 8 and name h1') 3.4 1.6 1.6
assign (resid 13 and name h7#) (resid 12 and name h1') 3.4 1.6 1.6
assign (resid 17 and name h7#) (resid 16 and name h1') 2.9 1.1 1.1
assign (resid 19 and name h7#) (resid 18 and name h1') 3.4 1.6 1.6

assign (resid 3 and name h7#) (resid 2 and name h2') 2.9 1.1 1.1
assign (resid 7 and name h7#) (resid 6 and name h2') 2.9 1.1 1.1
assign (resid 9 and name h7#) (resid 8 and name h2') 2.9 1.1 1.1
assign (resid 13 and name h7#) (resid 12 and name h2') 2.9 1.1 1.1
assign (resid 17 and name h7#) (resid 16 and name h2') 2.9 1.1 1.1
assign (resid 19 and name h7#) (resid 18 and name h2') 2.9 1.1 1.1

assign (resid 3 and name h7#) (resid 2 and name h3') 3.4 1.6 1.6
assign (resid 7 and name h7#) (resid 6 and name h3') 3.4 1.6 1.6
assign (resid 9 and name h7#) (resid 8 and name h3') 3.4 1.6 1.6
assign (resid 13 and name h7#) (resid 12 and name h3') 3.4 1.6 1.6
assign (resid 17 and name h7#) (resid 16 and name h3') 3.4 1.6 1.6
assign (resid 19 and name h7#) (resid 18 and name h3') 3.4 1.6 1.6

assign (resid 3 and name h7#) (resid 2 and name h2'') 2.9 1.1 1.1
assign (resid 7 and name h7#) (resid 6 and name h2'') 2.9 1.1 1.1
assign (resid 9 and name h7#) (resid 8 and name h2'') 2.9 1.1 1.1
assign (resid 13 and name h7#) (resid 12 and name h2'') 2.9 1.1 1.1
assign (resid 17 and name h7#) (resid 16 and name h2'') 2.9 1.1 1.1
assign (resid 19 and name h7#) (resid 18 and name h2'') 2.9 1.1 1.1


!H6/H8-H1'

assign (resid 1 and name h1') (resid 2 and name h8) 2.9 1.1 1.1
assign (resid 2 and name h1') (resid 3 and name h6) 2.9 1.1 1.1
assign (resid 3 and name h1') (resid 4 and name h8) 2.9 1.1 1.1
assign (resid 4 and name h1') (resid 5 and name h6) 2.9 1.1 1.1
assign (resid 5 and name h1') (resid 6 and name h8) 5.0 0.1 5.0 
assign (resid 6 and name h1') (resid 7 and name h6) 3.4 1.6 1.6
assign (resid 7 and name h1') (resid 8 and name h8) 2.9 1.1 1.1
assign (resid 8 and name h1') (resid 9 and name h6) 2.9 1.1 1.1
assign (resid 9 and name h1') (resid 10 and name h8) 2.9 1.1 1.1

assign (resid 11 and name h1') (resid 12 and name h8) 2.9 1.1 1.1
assign (resid 12 and name h1') (resid 13 and name h6) 2.9 1.1 1.1
assign (resid 13 and name h1') (resid 14 and name h8) 2.9 1.1 1.1
assign (resid 14 and name h1') (resid 15 and name h6) 2.9 1.1 1.1
assign (resid 15 and name h1') (resid 16 and name h8) 5.0 0.1 5.0
assign (resid 16 and name h1') (resid 17 and name h6) 3.4 1.6 1.6
assign (resid 17 and name h1') (resid 18 and name h8) 2.9 1.1 1.1
assign (resid 18 and name h1') (resid 19 and name h6) 2.9 1.1 1.1
assign (resid 19 and name h1') (resid 20 and name h8) 2.9 1.1 1.1

!H6/H8-H2'

assign (resid 1 and name h2') (resid 2 and name h8) 2.9 1.1 1.1
assign (resid 2 and name h2') (resid 3 and name h6) 2.9 1.1 1.1
assign (resid 3 and name h2') (resid 4 and name h8) 2.9 1.1 1.1
assign (resid 5 and name h2') (resid 6 and name h8) 6.0 0.1 5.0
assign (resid 6 and name h2') (resid 7 and name h6) 2.9 1.1 1.1
assign (resid 7 and name h2') (resid 8 and name h8) 2.9 1.1 1.1
assign (resid 8 and name h2') (resid 9 and name h6) 2.9 1.1 1.1
assign (resid 9 and name h2') (resid 10 and name h8) 2.9 1.1 1.1

assign (resid 11 and name h2') (resid 12 and name h8) 2.9 1.1 1.1
assign (resid 12 and name h2') (resid 13 and name h6) 2.9 1.1 1.1
assign (resid 13 and name h2') (resid 14 and name h8) 2.9 1.1 1.1
assign (resid 15 and name h2') (resid 16 and name h8) 6.0 0.1 5.0
assign (resid 16 and name h2') (resid 17 and name h6) 2.9 1.1 1.1
assign (resid 17 and name h2') (resid 18 and name h8) 2.9 1.1 1.1
assign (resid 18 and name h2') (resid 19 and name h6) 2.9 1.1 1.1
assign (resid 19 and name h2') (resid 20 and name h8) 2.9 1.1 1.1

!H6/H8-H2''

assign (resid 1 and name h2'') (resid 2 and name h8) 2.4 0.6 0.6
assign (resid 2 and name h2'') (resid 3 and name h6) 2.4 0.6 0.6
assign (resid 3 and name h2'') (resid 4 and name h8) 2.4 0.6 0.6
assign (resid 5 and name h2'') (resid 6 and name h8) 6.0 0.1 5.0
assign (resid 6 and name h2'') (resid 7 and name h6) 2.4 0.6 0.6
assign (resid 7 and name h2'') (resid 8 and name h8) 2.4 0.6 0.6
assign (resid 8 and name h2'') (resid 9 and name h6) 2.4 0.6 0.6
assign (resid 9 and name h2'') (resid 10 and name h8) 2.4 0.6 0.6

assign (resid 11 and name h2'') (resid 12 and name h8) 2.4 0.6 0.6
assign (resid 12 and name h2'') (resid 13 and name h6) 2.4 0.6 0.6
assign (resid 13 and name h2'') (resid 14 and name h8) 2.4 0.6 0.6
assign (resid 15 and name h2'') (resid 16 and name h8) 6.0 0.1 5.0
assign (resid 16 and name h2'') (resid 17 and name h6) 2.4 0.6 0.6
assign (resid 17 and name h2'') (resid 18 and name h8) 2.4 0.6 0.6
assign (resid 18 and name h2'') (resid 19 and name h6) 2.4 0.6 0.6
assign (resid 19 and name h2'') (resid 20 and name h8) 2.4 0.6 0.6


assign (resid 3 and name h7#) (resid 2 and name h8) 2.9 1.1 1.1
assign (resid 9 and name h7#) (resid 8 and name h8) 2.9 1.1 1.1
assign (resid 7 and name h7#) (resid 6 and name h8) 2.9 1.1 1.1
 
assign (resid 13 and name h7#) (resid 12 and name h8) 2.9 1.1 1.1
assign (resid 19 and name h7#) (resid 18 and name h8) 2.9 1.1 1.1
assign (resid 17 and name h7#) (resid 16 and name h8) 2.9 1.1 1.1


!H6/H8-H3'
assign (resid 5 and name h5) (resid 4 and name h8) 2.9 1.1 1.1
assign (resid 15 and name h5) (resid 14 and name h8) 2.9 1.1 1.1

assign (resid 1 and name h3') (resid 2 and name h8) 3.4 1.6 1.6
assign (resid 2 and name h3') (resid 3 and name h6) 3.4 1.6 1.6
assign (resid 3 and name h3') (resid 4 and name h8) 3.4 1.6 1.6
assign (resid 4 and name h3') (resid 5 and name h6) 4.4 2.6 2.6
assign (resid 5 and name h3') (resid 6 and name h8) 6.0 0.1 5.0
assign (resid 8 and name h3') (resid 9 and name h6) 3.4 1.6 1.6
assign (resid 9 and name h3') (resid 10 and name h8) 3.4 1.6 1.6

assign (resid 11 and name h3') (resid 12 and name h8) 3.4 1.6 1.6
assign (resid 12 and name h3') (resid 13 and name h6) 3.4 1.6 1.6
assign (resid 13 and name h3') (resid 14 and name h8) 3.4 1.6 1.6
assign (resid 14 and name h3') (resid 15 and name h6) 4.4 2.6 2.6
assign (resid 15 and name h3') (resid 16 and name h8) 6.0 0.1 5.0
assign (resid 18 and name h3') (resid 19 and name h6) 3.4 1.6 1.6
assign (resid 19 and name h3') (resid 20 and name h8) 3.4 1.6 1.6

!H6/H8-H4'


assign (resid 2 and name h4') (resid 3 and name h6) 4.4 2.6 2.6
assign (resid 3 and name h4') (resid 4 and name h8) 4.4 2.6 2.6
assign (resid 4 and name h4') (resid 5 and name h6) 4.4 2.6 2.6
assign (resid 5 and name h4') (resid 6 and name h8) 3.4 1.6 1.6 
assign (resid 7 and name h4') (resid 8 and name h8) 4.4 2.6 2.6
assign (resid 8 and name h4') (resid 9 and name h6) 4.4 2.6 2.6

assign (resid 12 and name h4') (resid 13 and name h6) 4.4 2.6 2.6
assign (resid 13 and name h4') (resid 14 and name h8) 4.4 2.6 2.6
assign (resid 14 and name h4') (resid 15 and name h6) 4.4 2.6 2.6
assign (resid 15 and name h4') (resid 16 and name h8) 3.4 1.6 1.6
assign (resid 17 and name h4') (resid 18 and name h8) 3.4 2.6 2.6
assign (resid 18 and name h4') (resid 19 and name h6) 3.4 2.6 2.6

! base-base

assign (resid 1 and name h6) (resid 2 and name h8) 4.6 2.6 2.6
assign (resid 2 and name h8) (resid 3 and name h6) 4.6 2.6 2.6
assign (resid 3 and name h6) (resid 4 and name h8) 4.6 2.6 2.6
assign (resid 4 and name h8) (resid 5 and name h6) 4.6 2.6 2.6
assign (resid 5 and name h6) (resid 6 and name h8) 5.0 0.1 6.0
assign (resid 6 and name h8) (resid 7 and name h6) 4.6 2.6 2.6
assign (resid 7 and name h6) (resid 8 and name h8) 4.6 2.6 2.6
assign (resid 8 and name h8) (resid 9 and name h6) 4.6 2.6 2.6
assign (resid 9 and name h6) (resid 10 and name h8) 4.6 2.6 2.6

assign (resid 11 and name h6) (resid 12 and name h8) 4.6 2.6 2.6
assign (resid 12 and name h8) (resid 13 and name h6) 4.6 2.6 2.6
assign (resid 13 and name h6) (resid 14 and name h8) 4.6 2.6 2.6
assign (resid 14 and name h8) (resid 15 and name h6) 4.6 2.6 2.6
assign (resid 15 and name h6) (resid 16 and name h8) 5.0 0.1 6.0
assign (resid 16 and name h8) (resid 17 and name h6) 4.6 2.6 2.6
assign (resid 17 and name h6) (resid 18 and name h8) 4.6 2.6 2.6
assign (resid 18 and name h8) (resid 19 and name h6) 4.6 2.6 2.6
assign (resid 19 and name h6) (resid 20 and name h8) 4.6 2.6 2.6

assign (resid 5 and name h3') (resid 4 and name h1') 2.9 1.1 1.1
assign (resid 5 and name h2') (resid 4 and name h1') 2.9 1.1 1.1
assign (resid 15 and name h3') (resid 14 and name h1') 2.9 1.1 1.1
assign (resid 15 and name h2') (resid 14 and name h1') 2.9 1.1 1.1

assign (resid 16 and name h1) (resid 15 and name h6) 3.4 1.6 1.6
assign (resid 5 and name h42) (resid 15 and name h6) 2.9 1.1 1.1
assign (resid 6 and name h1) (resid 5 and name h6) 3.4 1.6 1.6
assign (resid 15 and name h42) (resid 5 and name h6) 2.9 1.1 1.1
assign (resid 5 and name h41) (resid 15 and name h6 ) 3.4 1.6 1.6
assign (resid 15 and name h41) (resid 5 and name h6 ) 3.4 1.6 1.6
assign (resid 5 and name h42) (resid 15 and name h1') 5.0 0.1 3.6
assign (resid 15 and name h42) (resid 5 and name h1') 5.0 0.1 3.6


set echo=on end
set message=on end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    C   1          1H5*        C   1 -16.068  -1.487 -11.951
    2   2H5*    C   1          2H5*        C   1 -16.484  -2.235 -13.505
    3    H4*    C   1           H4*        C   1 -15.412  -4.320 -12.756
    4    H3*    C   1           H3*        C   1 -15.516  -3.498 -10.181
    5    H1*    C   1           H1*        C   1 -12.169  -3.304 -12.183
    6   1H4     C   1          1H4         C   1 -11.135   3.209 -12.947
    7   2H4     C   1          2H4         C   1  -9.661   2.375 -13.378
    8    H6     C   1           H6         C   1 -14.119  -0.155 -11.790
    9   1H2*    C   1          1H2*        C   1 -13.926  -1.726 -10.261
   10   2H2*    C   1          2H2*        C   1 -12.841  -3.066  -9.919
   11   1H5*    G   2          1H5*        G   2 -11.958  -5.921 -11.418
   12   2H5*    G   2          2H5*        G   2 -11.896  -7.448 -10.515
   13    H4*    G   2           H4*        G   2  -9.687  -7.061 -10.988
   14    H3*    G   2           H3*        G   2 -10.301  -6.878  -8.303
   15    H1*    G   2           H1*        G   2  -7.863  -4.493 -10.165
   16    H8     G   2           H8         G   2 -11.063  -2.778  -8.827
   17    H1     G   2           H1         G   2  -6.800   1.072 -11.681
   18   1H2     G   2          1H2         G   2  -5.047  -1.853 -12.293
   19   2H2     G   2          2H2         G   2  -5.118  -0.115 -12.479
   20   1H2*    G   2          1H2*        G   2 -10.014  -4.544  -8.005
   21   2H2*    G   2          2H2*        G   2  -8.323  -5.013  -7.894
   22   1H5*    C   3          1H5*        C   3  -6.252  -7.317  -9.873
   23   2H5*    C   3          2H5*        C   3  -5.412  -8.782  -9.323
   24    H4*    C   3           H4*        C   3  -3.741  -7.313 -10.044
   25    H3*    C   3           H3*        C   3  -3.623  -8.184  -7.453
   26    H1*    C   3           H1*        C   3  -2.886  -4.544  -8.497
   27   1H4     C   3          1H4         C   3  -7.637  -0.807  -5.753
   28   2H4     C   3          2H4         C   3  -6.368   0.260  -6.310
   29    H6     C   3           H6         C   3  -6.204  -5.079  -6.878
   30   1H2*    C   3          1H2*        C   3  -4.335  -6.184  -6.367
   31   2H2*    C   3          2H2*        C   3  -2.617  -5.839  -6.503
   32   1H5*    G   4          1H5*        G   4  -0.297  -5.592  -8.585
   33   2H5*    G   4          2H5*        G   4   1.336  -6.282  -8.470
   34    H4*    G   4           H4*        G   4   1.678  -4.123  -7.788
   35    H3*    G   4           H3*        G   4   1.967  -5.984  -5.753
   36    H1*    G   4           H1*        G   4   0.406  -2.496  -5.416
   37    H8     G   4           H8         G   4  -2.131  -5.303  -4.617
   38    H1     G   4           H1         G   4  -4.319   0.704  -4.097
   39   1H2     G   4          1H2         G   4  -1.208   1.606  -5.311
   40   2H2     G   4          2H2         G   4  -2.783   2.131  -4.757
   41   1H2*    G   4          1H2*        G   4   0.056  -5.386  -4.475
   42   2H2*    G   4          2H2*        G   4   1.173  -4.174  -3.864
   43   1H5*  DFC   5          1H5*      DFC   5   3.291  -3.711  -2.699
   44   2H5*  DFC   5          2H5*      DFC   5   4.961  -3.621  -2.101
   45    H4*  DFC   5           H4*      DFC   5   5.056  -1.359  -2.258
   46    H3*  DFC   5           H3*      DFC   5   4.157  -1.447  -4.785
   47   1H2*  DFC   5          1H2*      DFC   5   1.827  -1.762  -4.351
   48   2H2*  DFC   5          2H2*      DFC   5   1.896  -0.007  -4.414
   49    H1*  DFC   5           H1*      DFC   5   1.953   0.220  -2.041
   50   1H4   DFC   5          1H4       DFC   5  -2.951  -4.021  -0.735
   51   2H4   DFC   5          2H4       DFC   5  -3.706  -2.466  -0.997
   52    H5   DFC   5           H5       DFC   5  -0.580  -4.396  -1.052
   53    H6   DFC   5           H6       DFC   5   1.536  -3.358  -1.676
   54   1H5*  DFG   6          1H5*      DFG   6   7.056   2.303  -2.965
   55   2H5*  DFG   6          2H5*      DFG   6   6.182   0.841  -2.458
   56    H4*  DFG   6           H4*      DFG   6   8.991   0.680  -3.488
   57    H3*  DFG   6           H3*      DFG   6   8.652   2.291  -1.345
   58   1H2*  DFG   6          1H2*      DFG   6   7.508   0.733   0.073
   59   2H2*  DFG   6          2H2*      DFG   6   9.174   0.446   0.554
   60    H1*  DFG   6           H1*      DFG   6   9.405  -1.456  -0.907
   61    H8   DFG   6           H8       DFG   6   8.513  -3.780  -0.364
   62    H1   DFG   6           H1       DFG   6   2.878  -1.390   1.548
   63   1H2   DFG   6          1H2       DFG   6   4.124   1.633   0.406
   64   2H2   DFG   6          2H2       DFG   6   2.786   0.772   1.138
   65   1H5*    C   7          1H5*        C   7  11.766   4.249   1.231
   66   2H5*    C   7          2H5*        C   7  11.573   2.721   2.116
   67    H4*    C   7           H4*        C   7   9.681   5.030   1.848
   68    H3*    C   7           H3*        C   7  11.352   4.471   3.904
   69    H1*    C   7           H1*        C   7   7.649   3.410   3.988
   70   1H4     C   7          1H4         C   7   7.497  -3.203   3.480
   71   2H4     C   7          2H4         C   7   6.070  -2.700   4.352
   72    H6     C   7           H6         C   7   9.845   0.722   2.665
   73   1H2*    C   7          1H2*        C   7  10.461   2.332   4.508
   74   2H2*    C   7          2H2*        C   7   9.492   3.380   5.533
   75   1H5*    G   8          1H5*        G   8   7.584   6.447   4.908
   76   2H5*    G   8          2H5*        G   8   7.775   8.190   5.190
   77    H4*    G   8           H4*        G   8   5.935   7.838   6.442
   78    H3*    G   8           H3*        G   8   8.052   8.242   8.066
   79    H1*    G   8           H1*        G   8   5.624   5.249   8.726
   80    H8     G   8           H8         G   8   9.132   4.263   7.462
   81    H1     G   8           H1         G   8   5.088  -0.599   8.530
   82   1H2     G   8          1H2         G   8   2.767   1.875   9.187
   83   2H2     G   8          2H2         G   8   3.098   0.160   9.066
   84   1H2*    G   8          1H2*        G   8   8.576   5.983   8.615
   85   2H2*    G   8          2H2*        G   8   7.400   6.320   9.878
   86   1H5*    C   9          1H5*        C   9   4.095   7.750  10.723
   87   2H5*    C   9          2H5*        C   9   4.229   8.826  12.129
   88    H4*    C   9           H4*        C   9   3.437   6.640  12.785
   89    H3*    C   9           H3*        C   9   5.553   7.914  14.080
   90    H1*    C   9           H1*        C   9   5.134   4.195  13.392
   91   1H4     C   9          1H4         C   9  10.360   2.123   9.873
   92   2H4     C   9          2H4         C   9   9.309   0.749  10.121
   93    H6     C   9           H6         C   9   8.138   5.707  11.814
   94   1H2*    C   9          1H2*        C   9   7.264   6.397  13.431
   95   2H2*    C   9          2H2*        C   9   6.620   5.500  14.798
   96   1H5*    G  10          1H5*        G  10   2.646   4.992  16.418
   97   2H5*    G  10          2H5*        G  10   2.458   5.672  18.048
   98    H4*    G  10           H4*        G  10   2.130   3.362  18.260
   99    H3*    G  10           H3*        G  10   4.077   4.486  19.783
  100    H1*    G  10           H1*        G  10   4.645   1.144  17.905
  101    H8     G  10           H8         G  10   6.429   4.141  16.207
  102    H1     G  10           H1         G  10   8.029  -1.690  14.066
  103   1H2     G  10          1H2         G  10   5.704  -2.830  16.361
  104   2H2     G  10          2H2         G  10   6.873  -3.232  15.123
  105    H3T    G  10           H3T        G  10   3.078   1.842  19.649
  106   1H2*    G  10          1H2*        G  10   5.979   3.824  18.502
  107   2H2*    G  10          2H2*        G  10   5.824   2.421  19.550
  108   1H5*    C  11          1H5*        C  11  12.643  -8.049  13.556
  109   2H5*    C  11          2H5*        C  11  12.902  -7.843  15.299
  110    H4*    C  11           H4*        C  11  10.748  -9.246  15.543
  111    H3*    C  11           H3*        C  11  10.699  -9.526  12.867
  112    H1*    C  11           H1*        C  11   8.609  -6.680  14.545
  113   1H4     C  11          1H4         C  11  11.831  -1.106  12.938
  114   2H4     C  11          2H4         C  11  10.165  -0.688  13.254
  115    H6     C  11           H6         C  11  12.036  -5.714  13.473
  116   1H2*    C  11          1H2*        C  11  10.503  -7.235  12.227
  117   2H2*    C  11          2H2*        C  11   8.800  -7.642  12.384
  118   1H5*    G  12          1H5*        G  12   6.669  -8.139  14.313
  119   2H5*    G  12          2H5*        G  12   5.487  -9.417  13.962
  120    H4*    G  12           H4*        G  12   4.244  -7.558  13.559
  121    H3*    G  12           H3*        G  12   5.012  -8.856  11.178
  122    H1*    G  12           H1*        G  12   4.609  -5.057  11.837
  123    H8     G  12           H8         G  12   8.199  -6.138  10.831
  124    H1     G  12           H1         G  12   7.167   0.176  11.294
  125   1H2     G  12          1H2         G  12   3.964  -0.740  12.238
  126   2H2     G  12          2H2         G  12   5.094   0.562  11.939
  127   1H2*    G  12          1H2*        G  12   6.179  -7.075  10.172
  128   2H2*    G  12          2H2*        G  12   4.569  -6.425   9.896
  129   1H5*    C  13          1H5*        C  13   1.299  -6.553  11.843
  130   2H5*    C  13          2H5*        C  13  -0.185  -7.348  11.276
  131    H4*    C  13           H4*        C  13  -0.618  -5.029  11.405
  132    H3*    C  13           H3*        C  13  -1.091  -6.340   9.055
  133    H1*    C  13           H1*        C  13   0.580  -2.848   9.207
  134   1H4     C  13          1H4         C  13   6.765  -3.753   6.973
  135   2H4     C  13          2H4         C  13   6.484  -2.032   7.087
  136    H6     C  13           H6         C  13   2.827  -5.721   8.444
  137   1H2*    C  13          1H2*        C  13   0.778  -5.552   7.806
  138   2H2*    C  13          2H2*        C  13  -0.342  -4.234   7.496
  139   1H5*    G  14          1H5*        G  14  -2.202  -2.351   9.429
  140   2H5*    G  14          2H5*        G  14  -3.852  -1.697   9.498
  141    H4*    G  14           H4*        G  14  -2.857   0.019   8.437
  142    H3*    G  14           H3*        G  14  -4.290  -1.522   6.617
  143    H1*    G  14           H1*        G  14  -0.900   0.182   6.010
  144    H8     G  14           H8         G  14  -0.744  -3.638   5.505
  145    H1     G  14           H1         G  14   4.827  -0.523   4.866
  146   1H2     G  14          1H2         G  14   3.027   2.259   5.889
  147   2H2     G  14          2H2         G  14   4.571   1.612   5.384
  148   1H2*    G  14          1H2*        G  14  -2.462  -2.367   5.369
  149   2H2*    G  14          2H2*        G  14  -2.580  -0.792   4.599
  150   1H5*  DFC  15          1H5*      DFC  15  -4.281  -0.030   3.556
  151   2H5*  DFC  15          2H5*      DFC  15  -5.623   0.704   2.655
  152    H4*  DFC  15           H4*      DFC  15  -4.373   2.518   1.991
  153    H3*  DFC  15           H3*      DFC  15  -3.274   2.735   4.457
  154   1H2*  DFC  15          1H2*      DFC  15  -1.618   1.026   4.287
  155   2H2*  DFC  15          2H2*      DFC  15  -0.705   2.387   3.653
  156    H1*  DFC  15           H1*      DFC  15  -1.108   1.786   1.378
  157   1H4   DFC  15          1H4       DFC  15   0.505  -4.590   2.121
  158   2H4   DFC  15          2H4       DFC  15   1.955  -3.763   1.605
  159    H5   DFC  15           H5       DFC  15  -1.572  -3.433   2.585
  160    H6   DFC  15           H6       DFC  15  -2.661  -1.253   2.674
  161   1H5*  DFG  16          1H5*      DFG  16  -3.795   6.741   1.262
  162   2H5*  DFG  16          2H5*      DFG  16  -3.941   4.971   1.248
  163    H4*  DFG  16           H4*      DFG  16  -6.217   6.785   2.007
  164    H3*  DFG  16           H3*      DFG  16  -5.293   7.007  -0.510
  165   1H2*  DFG  16          1H2*      DFG  16  -5.345   4.673  -1.086
  166   2H2*  DFG  16          2H2*      DFG  16  -6.914   5.202  -1.674
  167    H1*  DFG  16           H1*      DFG  16  -8.050   4.470   0.326
  168    H8   DFG  16           H8       DFG  16  -8.621   2.057   1.003
  169    H1   DFG  16           H1       DFG  16  -3.047  -0.064  -1.351
  170   1H2   DFG  16          1H2       DFG  16  -2.269   3.289  -1.704
  171   2H2   DFG  16          2H2       DFG  16  -1.752   1.627  -1.902
  172   1H5*    C  17          1H5*        C  17  -7.056   9.299  -3.881
  173   2H5*    C  17          2H5*        C  17  -7.968   7.813  -4.220
  174    H4*    C  17           H4*        C  17  -5.122   8.491  -4.746
  175    H3*    C  17           H3*        C  17  -7.164   8.174  -6.478
  176    H1*    C  17           H1*        C  17  -4.677   5.304  -5.830
  177   1H4     C  17          1H4         C  17  -7.998   0.613  -2.516
  178   2H4     C  17          2H4         C  17  -6.542  -0.112  -3.152
  179    H6     C  17           H6         C  17  -7.853   5.038  -3.899
  180   1H2*    C  17          1H2*        C  17  -7.674   5.879  -5.996
  181   2H2*    C  17          2H2*        C  17  -6.529   5.691  -7.316
  182   1H5*    G  18          1H5*        G  18  -2.992   7.949  -7.664
  183   2H5*    G  18          2H5*        G  18  -2.240   9.291  -8.551
  184    H4*    G  18           H4*        G  18  -1.092   7.578  -9.463
  185    H3*    G  18           H3*        G  18  -2.847   8.551 -11.274
  186    H1*    G  18           H1*        G  18  -2.501   4.715 -10.702
  187    H8     G  18           H8         G  18  -5.871   6.189  -9.561
  188    H1     G  18           H1         G  18  -5.043  -0.064  -8.405
  189   1H2     G  18          1H2         G  18  -1.838   0.457  -9.590
  190   2H2     G  18          2H2         G  18  -2.996  -0.680  -8.937
  191   1H2*    G  18          1H2*        G  18  -4.574   6.920 -11.057
  192   2H2*    G  18          2H2*        G  18  -3.581   6.136 -12.276
  193   1H5*    C  19          1H5*        C  19  -0.010   5.360 -13.257
  194   2H5*    C  19          2H5*        C  19   0.389   5.765 -14.940
  195    H4*    C  19           H4*        C  19  -0.215   3.435 -14.730
  196    H3*    C  19           H3*        C  19  -1.381   5.129 -16.640
  197    H1*    C  19           H1*        C  19  -3.001   2.234 -14.707
  198   1H4     C  19          1H4         C  19  -8.231   4.817 -11.541
  199   2H4     C  19          2H4         C  19  -8.247   3.091 -11.279
  200    H6     C  19           H6         C  19  -4.431   5.616 -14.083
  201   1H2*    C  19          1H2*        C  19  -3.614   4.993 -15.877
  202   2H2*    C  19          2H2*        C  19  -3.565   3.444 -16.705
  203   1H5*    G  20          1H5*        G  20  -0.963   0.570 -17.418
  204   2H5*    G  20          2H5*        G  20  -0.404   0.292 -19.080
  205    H4*    G  20           H4*        G  20  -1.703  -1.571 -18.496
  206    H3*    G  20           H3*        G  20  -2.421  -0.189 -20.721
  207    H1*    G  20           H1*        G  20  -5.042  -1.395 -18.142
  208    H8     G  20           H8         G  20  -4.729   2.442 -18.309
  209    H1     G  20           H1         G  20  -8.819   0.175 -13.919
  210   1H2     G  20          1H2         G  20  -7.629  -2.932 -14.864
  211   2H2     G  20          2H2         G  20  -8.716  -2.025 -13.838
  212    H3T    G  20           H3T        G  20  -3.424  -2.564 -19.558
  213   1H2*    G  20          1H2*        G  20  -4.261   1.034 -19.819
  214   2H2*    G  20          2H2*        G  20  -5.096  -0.426 -20.330
  215   1HC   CH3   1          1HC       CH3   1 -13.275   2.689 -13.378
  216   2HC   CH3   1          2HC       CH3   1 -12.871   2.963 -11.666
  217   3HC   CH3   1          3HC       CH3   1 -14.318   2.022 -12.099
  218   1HC   CH3   3          1HC       CH3   3  -7.899  -4.297  -5.695
  219   2HC   CH3   3          2HC       CH3   3  -8.512  -2.702  -6.190
  220   3HC   CH3   3          3HC       CH3   3  -7.490  -2.852  -4.741
  221   1HC   CH3   7          1HC       CH3   7  10.077  -1.434   2.011
  222   2HC   CH3   7          2HC       CH3   7   8.754  -2.603   2.224
  223   3HC   CH3   7          3HC       CH3   7   9.893  -2.297   3.557
  224   1HC   CH3   9          1HC       CH3   9  10.319   4.154   9.666
  225   2HC   CH3   9          2HC       CH3   9  10.858   3.921  11.346
  226   3HC   CH3   9          3HC       CH3   9  10.122   5.465  10.853
  227   1HC   CH3  11          1HC       CH3  11  13.280  -2.554  13.443
  228   2HC   CH3  11          2HC       CH3  11  12.699  -2.913  11.799
  229   3HC   CH3  11          3HC       CH3  11  13.474  -4.190  12.768
  230   1HC   CH3  13          1HC       CH3  13   5.388  -5.398   6.288
  231   2HC   CH3  13          2HC       CH3  13   4.655  -6.499   7.479
  232   3HC   CH3  13          3HC       CH3  13   6.142  -5.611   7.887
  233   1HC   CH3  17          1HC       CH3  17  -9.479   2.256  -3.510
  234   2HC   CH3  17          2HC       CH3  17  -8.733   2.354  -1.898
  235   3HC   CH3  17          3HC       CH3  17  -9.297   3.834  -2.708
  236   1HC   CH3  19          1HC       CH3  19  -7.652   6.039 -13.448
  237   2HC   CH3  19          2HC       CH3  19  -6.910   6.386 -11.868
  238   3HC   CH3  19          3HC       CH3  19  -6.091   6.890 -13.365
  Start of MODEL    2
    1   1H5*    C   1          1H5*        C   1 -17.059  -3.046 -10.097
    2   2H5*    C   1          2H5*        C   1 -17.019  -3.197 -11.864
    3    H4*    C   1           H4*        C   1 -16.202  -5.680 -10.934
    4    H3*    C   1           H3*        C   1 -15.779  -4.290  -8.684
    5    H1*    C   1           H1*        C   1 -12.909  -4.364 -11.395
    6   1H4     C   1          1H4         C   1 -13.161   1.783 -13.882
    7   2H4     C   1          2H4         C   1 -11.699   1.026 -14.461
    8    H6     C   1           H6         C   1 -15.229  -1.449 -11.260
    9   1H2*    C   1          1H2*        C   1 -14.408  -2.526  -9.507
   10   2H2*    C   1          2H2*        C   1 -13.154  -3.707  -9.153
   11   1H5*    G   2          1H5*        G   2 -12.138  -6.611 -10.011
   12   2H5*    G   2          2H5*        G   2 -11.841  -7.887  -8.813
   13    H4*    G   2           H4*        G   2  -9.742  -7.416  -9.653
   14    H3*    G   2           H3*        G   2 -10.082  -6.860  -6.981
   15    H1*    G   2           H1*        G   2  -8.112  -4.608  -9.432
   16    H8     G   2           H8         G   2 -11.420  -2.993  -8.212
   17    H1     G   2           H1         G   2  -7.557   0.763 -11.694
   18   1H2     G   2          1H2         G   2  -5.552  -2.044 -11.928
   19   2H2     G   2          2H2         G   2  -5.786  -0.363 -12.353
   20   1H2*    G   2          1H2*        G   2 -10.079  -4.484  -7.099
   21   2H2*    G   2          2H2*        G   2  -8.343  -4.752  -7.058
   22   1H5*    C   3          1H5*        C   3  -5.849  -7.298  -8.774
   23   2H5*    C   3          2H5*        C   3  -4.944  -8.444  -7.762
   24    H4*    C   3           H4*        C   3  -3.387  -7.028  -8.857
   25    H3*    C   3           H3*        C   3  -3.228  -7.330  -6.170
   26    H1*    C   3           H1*        C   3  -2.983  -3.807  -7.803
   27   1H4     C   3          1H4         C   3  -8.513  -0.664  -5.923
   28   2H4     C   3          2H4         C   3  -7.501   0.490  -6.758
   29    H6     C   3           H6         C   3  -6.179  -4.669  -6.096
   30   1H2*    C   3          1H2*        C   3  -4.290  -5.304  -5.492
   31   2H2*    C   3          2H2*        C   3  -2.635  -4.731  -5.635
   32   1H5*    G   4          1H5*        G   4   0.323  -5.409  -8.483
   33   2H5*    G   4          2H5*        G   4   1.774  -6.303  -7.982
   34    H4*    G   4           H4*        G   4   2.493  -4.188  -8.728
   35    H3*    G   4           H3*        G   4   3.277  -4.972  -6.288
   36    H1*    G   4           H1*        G   4   1.636  -1.400  -6.666
   37    H8     G   4           H8         G   4  -0.492  -4.143  -4.980
   38    H1     G   4           H1         G   4  -3.258   1.621  -5.503
   39   1H2     G   4          1H2         G   4  -0.419   2.484  -7.274
   40   2H2     G   4          2H2         G   4  -1.972   2.989  -6.647
   41   1H2*    G   4          1H2*        G   4   1.650  -3.885  -4.932
   42   2H2*    G   4          2H2*        G   4   2.832  -2.587  -5.036
   43   1H5*  DFC   5          1H5*      DFC   5   4.414  -3.018  -4.119
   44   2H5*  DFC   5          2H5*      DFC   5   6.095  -2.988  -3.552
   45    H4*  DFC   5           H4*      DFC   5   6.085  -0.757  -3.159
   46    H3*  DFC   5           H3*      DFC   5   4.989  -0.343  -5.638
   47   1H2*  DFC   5          1H2*      DFC   5   2.688  -0.517  -5.060
   48   2H2*  DFC   5          2H2*      DFC   5   2.941   1.175  -4.662
   49    H1*  DFC   5           H1*      DFC   5   3.276   0.731  -2.338
   50   1H4   DFC   5          1H4       DFC   5  -2.098  -3.050  -1.601
   51   2H4   DFC   5          2H4       DFC   5  -2.621  -1.408  -1.310
   52    H5   DFC   5           H5       DFC   5   0.137  -3.612  -2.329
   53    H6   DFC   5           H6       DFC   5   2.322  -2.716  -2.931
   54   1H5*  DFG   6          1H5*      DFG   6   8.108   3.067  -3.167
   55   2H5*  DFG   6          2H5*      DFG   6   7.159   1.606  -2.819
   56    H4*  DFG   6           H4*      DFG   6  10.063   1.477  -3.575
   57    H3*  DFG   6           H3*      DFG   6   9.486   2.857  -1.333
   58   1H2*  DFG   6          1H2*      DFG   6   8.162   1.199  -0.224
   59   2H2*  DFG   6          2H2*      DFG   6   9.753   0.811   0.413
   60    H1*  DFG   6           H1*      DFG   6  10.104  -0.958  -1.170
   61    H8   DFG   6           H8       DFG   6   9.029  -3.285  -1.035
   62    H1   DFG   6           H1       DFG   6   3.337  -0.733   0.459
   63   1H2   DFG   6          1H2       DFG   6   4.879   2.295  -0.230
   64   2H2   DFG   6          2H2       DFG   6   3.417   1.462   0.262
   65   1H5*    C   7          1H5*        C   7  12.326   4.406   1.829
   66   2H5*    C   7          2H5*        C   7  11.659   2.909   2.514
   67    H4*    C   7           H4*        C   7  10.244   5.490   1.887
   68    H3*    C   7           H3*        C   7  11.393   4.887   4.235
   69    H1*    C   7           H1*        C   7   7.624   3.878   3.673
   70   1H4     C   7          1H4         C   7   7.980  -2.710   2.960
   71   2H4     C   7          2H4         C   7   6.340  -2.313   3.415
   72    H6     C   7           H6         C   7  10.228   1.348   2.853
   73   1H2*    C   7          1H2*        C   7  10.266   2.855   4.759
   74   2H2*    C   7          2H2*        C   7   9.136   3.994   5.476
   75   1H5*    G   8          1H5*        G   8   7.207   5.743   4.927
   76   2H5*    G   8          2H5*        G   8   7.151   7.477   5.309
   77    H4*    G   8           H4*        G   8   5.283   6.807   6.385
   78    H3*    G   8           H3*        G   8   7.210   7.420   8.187
   79    H1*    G   8           H1*        G   8   5.046   4.270   8.548
   80    H8     G   8           H8         G   8   8.672   3.365   7.518
   81    H1     G   8           H1         G   8   4.741  -1.561   8.710
   82   1H2     G   8          1H2         G   8   2.330   0.891   9.137
   83   2H2     G   8          2H2         G   8   2.702  -0.819   9.128
   84   1H2*    G   8          1H2*        G   8   7.962   5.188   8.649
   85   2H2*    G   8          2H2*        G   8   6.725   5.376   9.883
   86   1H5*    C   9          1H5*        C   9   3.122   6.184  10.709
   87   2H5*    C   9          2H5*        C   9   3.110   7.487  11.916
   88    H4*    C   9           H4*        C   9   2.512   5.429  12.969
   89    H3*    C   9           H3*        C   9   4.635   6.983  13.944
   90    H1*    C   9           H1*        C   9   4.310   3.159  13.887
   91   1H4     C   9          1H4         C   9   9.589   0.893  10.560
   92   2H4     C   9          2H4         C   9   8.671  -0.486  11.108
   93    H6     C   9           H6         C   9   7.151   4.588  11.955
   94   1H2*    C   9          1H2*        C   9   6.368   5.407  13.621
   95   2H2*    C   9          2H2*        C   9   5.698   4.710  15.089
   96   1H5*    G  10          1H5*        G  10   2.044   4.418  16.710
   97   2H5*    G  10          2H5*        G  10   1.580   5.285  18.188
   98    H4*    G  10           H4*        G  10   1.655   3.012  18.755
   99    H3*    G  10           H3*        G  10   3.210   4.716  20.196
  100    H1*    G  10           H1*        G  10   4.498   1.288  18.983
  101    H8     G  10           H8         G  10   6.260   4.240  17.218
  102    H1     G  10           H1         G  10   8.211  -1.624  15.501
  103   1H2     G  10          1H2         G  10   5.662  -2.736  17.565
  104   2H2     G  10          2H2         G  10   6.973  -3.153  16.483
  105    H3T    G  10           H3T        G  10   1.860   2.860  20.832
  106   1H2*    G  10          1H2*        G  10   5.315   4.226  19.178
  107   2H2*    G  10          2H2*        G  10   5.304   3.011  20.448
  108   1H5*    C  11          1H5*        C  11  12.352  -8.229  14.039
  109   2H5*    C  11          2H5*        C  11  12.612  -7.514  15.641
  110    H4*    C  11           H4*        C  11  10.601  -9.226  16.186
  111    H3*    C  11           H3*        C  11  10.441  -9.551  13.530
  112    H1*    C  11           H1*        C  11   8.333  -6.681  15.201
  113   1H4     C  11          1H4         C  11  11.478  -1.198  13.198
  114   2H4     C  11          2H4         C  11  10.077  -0.700  14.114
  115    H6     C  11           H6         C  11  11.444  -5.835  13.355
  116   1H2*    C  11          1H2*        C  11  10.144  -7.287  12.842
  117   2H2*    C  11          2H2*        C  11   8.463  -7.733  13.096
  118   1H5*    G  12          1H5*        G  12   5.984  -9.157  15.214
  119   2H5*    G  12          2H5*        G  12   5.129 -10.560  14.540
  120    H4*    G  12           H4*        G  12   3.636  -8.752  14.431
  121    H3*    G  12           H3*        G  12   4.239 -10.054  12.097
  122    H1*    G  12           H1*        G  12   3.878  -6.248  12.387
  123    H8     G  12           H8         G  12   7.440  -7.263  11.341
  124    H1     G  12           H1         G  12   6.520  -0.992  12.310
  125   1H2     G  12          1H2         G  12   3.374  -1.935  13.399
  126   2H2     G  12          2H2         G  12   4.502  -0.631  13.106
  127   1H2*    G  12          1H2*        G  12   5.674  -8.395  11.150
  128   2H2*    G  12          2H2*        G  12   4.120  -7.814  10.570
  129   1H5*    C  13          1H5*        C  13  -0.079  -7.509  12.135
  130   2H5*    C  13          2H5*        C  13  -0.978  -8.300  10.823
  131    H4*    C  13           H4*        C  13  -1.427  -5.861  11.127
  132    H3*    C  13           H3*        C  13  -1.437  -7.211   8.765
  133    H1*    C  13           H1*        C  13   0.351  -3.830   9.195
  134   1H4     C  13          1H4         C  13   6.857  -4.968   8.569
  135   2H4     C  13          2H4         C  13   6.599  -3.241   8.529
  136    H6     C  13           H6         C  13   2.616  -6.793   9.122
  137   1H2*    C  13          1H2*        C  13   0.760  -6.621   8.020
  138   2H2*    C  13          2H2*        C  13  -0.160  -5.281   7.350
  139   1H5*    G  14          1H5*        G  14  -1.969  -2.365   8.461
  140   2H5*    G  14          2H5*        G  14  -3.693  -2.565   8.085
  141    H4*    G  14           H4*        G  14  -3.138  -0.492   7.203
  142    H3*    G  14           H3*        G  14  -4.039  -2.341   5.431
  143    H1*    G  14           H1*        G  14  -0.901  -0.168   4.617
  144    H8     G  14           H8         G  14  -0.191  -3.917   5.226
  145    H1     G  14           H1         G  14   4.923  -0.289   3.872
  146   1H2     G  14          1H2         G  14   2.680   2.346   3.947
  147   2H2     G  14          2H2         G  14   4.338   1.832   3.724
  148   1H2*    G  14          1H2*        G  14  -1.989  -3.010   4.460
  149   2H2*    G  14          2H2*        G  14  -2.342  -1.636   3.424
  150   1H5*  DFC  15          1H5*      DFC  15  -3.205   0.699   2.876
  151   2H5*  DFC  15          2H5*      DFC  15  -4.724   1.508   2.438
  152    H4*  DFC  15           H4*      DFC  15  -3.685   3.372   1.669
  153    H3*  DFC  15           H3*      DFC  15  -2.277   3.589   3.934
  154   1H2*  DFC  15          1H2*      DFC  15  -0.591   1.954   3.564
  155   2H2*  DFC  15          2H2*      DFC  15   0.197   3.341   2.825
  156    H1*  DFC  15           H1*      DFC  15  -0.318   2.663   0.632
  157   1H4   DFC  15          1H4       DFC  15   0.870  -3.802   1.314
  158   2H4   DFC  15          2H4       DFC  15   2.424  -3.056   1.036
  159    H5   DFC  15           H5       DFC  15  -1.166  -2.520   1.589
  160    H6   DFC  15           H6       DFC  15  -2.111  -0.274   1.651
  161   1H5*  DFG  16          1H5*      DFG  16  -3.058   7.517   0.678
  162   2H5*  DFG  16          2H5*      DFG  16  -3.290   5.756   0.656
  163    H4*  DFG  16           H4*      DFG  16  -5.487   7.694   1.344
  164    H3*  DFG  16           H3*      DFG  16  -4.490   7.829  -1.141
  165   1H2*  DFG  16          1H2*      DFG  16  -4.612   5.511  -1.714
  166   2H2*  DFG  16          2H2*      DFG  16  -6.164   6.068  -2.321
  167    H1*  DFG  16           H1*      DFG  16  -7.350   5.314  -0.384
  168    H8   DFG  16           H8       DFG  16  -7.884   2.884   0.300
  169    H1   DFG  16           H1       DFG  16  -2.111   0.945  -1.715
  170   1H2   DFG  16          1H2       DFG  16  -1.438   4.319  -2.039
  171   2H2   DFG  16          2H2       DFG  16  -0.843   2.681  -2.188
  172   1H5*    C  17          1H5*        C  17  -4.677   9.272  -2.645
  173   2H5*    C  17          2H5*        C  17  -5.791  10.086  -3.763
  174    H4*    C  17           H4*        C  17  -3.517   9.438  -4.660
  175    H3*    C  17           H3*        C  17  -5.859   9.654  -6.041
  176    H1*    C  17           H1*        C  17  -3.485   6.627  -6.419
  177   1H4     C  17          1H4         C  17  -6.844   1.389  -4.107
  178   2H4     C  17          2H4         C  17  -5.366   0.800  -4.824
  179    H6     C  17           H6         C  17  -6.653   6.007  -4.563
  180   1H2*    C  17          1H2*        C  17  -6.441   7.343  -6.144
  181   2H2*    C  17          2H2*        C  17  -5.416   7.448  -7.568
  182   1H5*    G  18          1H5*        G  18  -2.315   8.539  -8.457
  183   2H5*    G  18          2H5*        G  18  -1.894   9.674  -9.756
  184    H4*    G  18           H4*        G  18  -1.305   7.652 -10.662
  185    H3*    G  18           H3*        G  18  -3.401   8.852 -11.949
  186    H1*    G  18           H1*        G  18  -3.247   5.083 -11.202
  187    H8     G  18           H8         G  18  -6.173   6.805  -9.386
  188    H1     G  18           H1         G  18  -5.373   0.576  -8.078
  189   1H2     G  18          1H2         G  18  -2.497   0.862  -9.972
  190   2H2     G  18          2H2         G  18  -3.532  -0.167  -9.006
  191   1H2*    G  18          1H2*        G  18  -5.158   7.468 -11.115
  192   2H2*    G  18          2H2*        G  18  -4.670   6.516 -12.510
  193   1H5*    C  19          1H5*        C  19  -1.076   5.570 -13.971
  194   2H5*    C  19          2H5*        C  19  -0.713   5.707 -15.704
  195    H4*    C  19           H4*        C  19  -1.059   3.408 -15.135
  196    H3*    C  19           H3*        C  19  -2.535   4.632 -17.194
  197    H1*    C  19           H1*        C  19  -3.661   1.908 -14.712
  198   1H4     C  19          1H4         C  19  -8.998   4.414 -11.655
  199   2H4     C  19          2H4         C  19  -8.899   2.717 -11.258
  200    H6     C  19           H6         C  19  -5.336   5.223 -14.391
  201   1H2*    C  19          1H2*        C  19  -4.692   4.317 -16.287
  202   2H2*    C  19          2H2*        C  19  -4.453   2.666 -16.841
  203   1H5*    G  20          1H5*        G  20  -1.935   0.148 -16.940
  204   2H5*    G  20          2H5*        G  20  -1.226  -0.445 -18.456
  205    H4*    G  20           H4*        G  20  -2.364  -2.262 -17.514
  206    H3*    G  20           H3*        G  20  -3.106  -1.464 -20.030
  207    H1*    G  20           H1*        G  20  -5.611  -2.540 -17.303
  208    H8     G  20           H8         G  20  -5.785   1.266 -18.041
  209    H1     G  20           H1         G  20 -10.355  -1.087 -14.205
  210   1H2     G  20          1H2         G  20  -8.646  -4.086 -14.541
  211   2H2     G  20          2H2         G  20  -9.999  -3.235 -13.831
  212    H3T    G  20           H3T        G  20  -4.454  -3.674 -19.219
  213   1H2*    G  20          1H2*        G  20  -5.184  -0.438 -19.480
  214   2H2*    G  20          2H2*        G  20  -5.728  -2.100 -19.660
  215   1HC   CH3   1          1HC       CH3   1 -15.676   0.670 -11.718
  216   2HC   CH3   1          2HC       CH3   1 -15.117   1.278 -13.295
  217   3HC   CH3   1          3HC       CH3   1 -14.203   1.662 -11.817
  218   1HC   CH3   3          1HC       CH3   3  -8.921  -2.703  -5.726
  219   2HC   CH3   3          2HC       CH3   3  -7.800  -2.297  -4.404
  220   3HC   CH3   3          3HC       CH3   3  -7.949  -3.981  -4.960
  221   1HC   CH3   7          1HC       CH3   7   9.953  -2.023   3.185
  222   2HC   CH3   7          2HC       CH3   7  10.776  -0.720   2.296
  223   3HC   CH3   7          3HC       CH3   7   9.427  -1.600   1.538
  224   1HC   CH3   9          1HC       CH3   9   9.394   2.826  10.030
  225   2HC   CH3   9          2HC       CH3   9   9.990   2.975  11.700
  226   3HC   CH3   9          3HC       CH3   9   9.111   4.325  10.945
  227   1HC   CH3  11          1HC       CH3  11  12.880  -4.338  12.584
  228   2HC   CH3  11          2HC       CH3  11  13.004  -2.966  13.710
  229   3HC   CH3  11          3HC       CH3  11  12.251  -2.741  12.114
  230   1HC   CH3  13          1HC       CH3  13   5.539  -6.538   7.482
  231   2HC   CH3  13          2HC       CH3  13   4.564  -7.635   8.489
  232   3HC   CH3  13          3HC       CH3  13   5.990  -6.823   9.181
  233   1HC   CH3  17          1HC       CH3  17  -7.226   3.146  -2.837
  234   2HC   CH3  17          2HC       CH3  17  -7.979   4.638  -3.448
  235   3HC   CH3  17          3HC       CH3  17  -8.250   3.095  -4.291
  236   1HC   CH3  19          1HC       CH3  19  -8.451   5.780 -13.255
  237   2HC   CH3  19          2HC       CH3  19  -7.391   5.961 -11.836
  238   3HC   CH3  19          3HC       CH3  19  -6.842   6.520 -13.433
  Start of MODEL    3
    1   1H5*    C   1          1H5*        C   1 -16.220  -2.070 -11.187
    2   2H5*    C   1          2H5*        C   1 -16.271  -1.761 -12.933
    3    H4*    C   1           H4*        C   1 -15.763  -4.469 -12.756
    4    H3*    C   1           H3*        C   1 -15.127  -3.870 -10.237
    5    H1*    C   1           H1*        C   1 -12.306  -3.402 -12.983
    6   1H4     C   1          1H4         C   1 -12.125   3.205 -13.558
    7   2H4     C   1          2H4         C   1 -10.798   2.550 -14.487
    8    H6     C   1           H6         C   1 -14.309  -0.496 -11.803
    9   1H2*    C   1          1H2*        C   1 -13.584  -2.087 -10.575
   10   2H2*    C   1          2H2*        C   1 -12.464  -3.440 -10.644
   11   1H5*    G   2          1H5*        G   2 -11.712  -5.795 -12.249
   12   2H5*    G   2          2H5*        G   2 -11.710  -7.496 -11.739
   13    H4*    G   2           H4*        G   2  -9.508  -7.256 -12.144
   14    H3*    G   2           H3*        G   2  -9.910  -7.374  -9.476
   15    H1*    G   2           H1*        G   2  -7.602  -4.611 -10.997
   16    H8     G   2           H8         G   2 -10.769  -3.287  -9.296
   17    H1     G   2           H1         G   2  -7.416   1.071 -12.600
   18   1H2     G   2          1H2         G   2  -5.524  -1.632 -13.644
   19   2H2     G   2          2H2         G   2  -5.789   0.096 -13.714
   20   1H2*    G   2          1H2*        G   2  -9.815  -5.051  -8.953
   21   2H2*    G   2          2H2*        G   2  -8.106  -5.441  -8.833
   22   1H5*    C   3          1H5*        C   3  -5.721  -7.061 -10.908
   23   2H5*    C   3          2H5*        C   3  -4.912  -8.626 -10.679
   24    H4*    C   3           H4*        C   3  -3.119  -7.234 -10.727
   25    H3*    C   3           H3*        C   3  -3.460  -8.282  -8.269
   26    H1*    C   3           H1*        C   3  -2.872  -4.430  -8.663
   27   1H4     C   3          1H4         C   3  -8.669  -1.725  -6.940
   28   2H4     C   3          2H4         C   3  -7.691  -0.455  -7.628
   29    H6     C   3           H6         C   3  -6.144  -5.585  -7.426
   30   1H2*    C   3          1H2*        C   3  -4.582  -6.474  -7.200
   31   2H2*    C   3          2H2*        C   3  -2.920  -5.996  -6.892
   32   1H5*    G   4          1H5*        G   4   0.285  -6.013  -9.043
   33   2H5*    G   4          2H5*        G   4   1.830  -6.829  -8.726
   34    H4*    G   4           H4*        G   4   2.234  -4.594  -8.241
   35    H3*    G   4           H3*        G   4   2.530  -6.355  -6.156
   36    H1*    G   4           H1*        G   4   0.963  -2.875  -5.837
   37    H8     G   4           H8         G   4  -1.600  -5.653  -5.049
   38    H1     G   4           H1         G   4  -3.809   0.361  -4.747
   39   1H2     G   4          1H2         G   4  -0.679   1.231  -5.943
   40   2H2     G   4          2H2         G   4  -2.265   1.775  -5.439
   41   1H2*    G   4          1H2*        G   4   0.553  -5.776  -4.950
   42   2H2*    G   4          2H2*        G   4   1.663  -4.587  -4.284
   43   1H5*  DFC   5          1H5*      DFC   5   2.944  -3.733  -3.156
   44   2H5*  DFC   5          2H5*      DFC   5   4.433  -3.786  -2.191
   45    H4*  DFC   5           H4*      DFC   5   4.776  -1.467  -2.405
   46    H3*  DFC   5           H3*      DFC   5   3.689  -1.456  -4.884
   47   1H2*  DFC   5          1H2*      DFC   5   1.383  -1.633  -4.289
   48   2H2*  DFC   5          2H2*      DFC   5   1.565   0.115  -4.260
   49    H1*  DFC   5           H1*      DFC   5   1.844   0.194  -1.891
   50   1H4   DFC   5          1H4       DFC   5  -3.334  -3.701  -0.535
   51   2H4   DFC   5          2H4       DFC   5  -3.875  -2.052  -0.345
   52    H5   DFC   5           H5       DFC   5  -1.117  -4.276  -1.321
   53    H6   DFC   5           H6       DFC   5   1.025  -3.383  -2.068
   54   1H5*  DFG   6          1H5*      DFG   6   7.017   2.190  -3.504
   55   2H5*  DFG   6          2H5*      DFG   6   6.401   0.897  -2.454
   56    H4*  DFG   6           H4*      DFG   6   9.056   0.955  -3.892
   57    H3*  DFG   6           H3*      DFG   6   8.701   2.318  -1.637
   58   1H2*  DFG   6          1H2*      DFG   6   7.678   0.584  -0.324
   59   2H2*  DFG   6          2H2*      DFG   6   9.361   0.413   0.149
   60    H1*  DFG   6           H1*      DFG   6   9.735  -1.424  -1.335
   61    H8   DFG   6           H8       DFG   6   8.787  -3.849  -1.273
   62    H1   DFG   6           H1       DFG   6   3.249  -1.660   1.107
   63   1H2   DFG   6          1H2       DFG   6   4.541   1.467   0.382
   64   2H2   DFG   6          2H2       DFG   6   3.197   0.539   1.014
   65   1H5*    C   7          1H5*        C   7  11.898   4.148   0.921
   66   2H5*    C   7          2H5*        C   7  11.755   2.673   1.899
   67    H4*    C   7           H4*        C   7  10.011   5.067   1.756
   68    H3*    C   7           H3*        C   7  11.570   4.211   3.766
   69    H1*    C   7           H1*        C   7   7.797   3.336   3.777
   70   1H4     C   7          1H4         C   7   7.393  -3.143   2.417
   71   2H4     C   7          2H4         C   7   5.878  -2.644   3.125
   72    H6     C   7           H6         C   7  10.007   0.699   2.343
   73   1H2*    C   7          1H2*        C   7  10.550   2.070   4.131
   74   2H2*    C   7          2H2*        C   7   9.647   3.060   5.270
   75   1H5*    G   8          1H5*        G   8   7.921   6.045   5.041
   76   2H5*    G   8          2H5*        G   8   8.011   7.773   5.442
   77    H4*    G   8           H4*        G   8   6.256   7.205   6.737
   78    H3*    G   8           H3*        G   8   8.452   7.604   8.300
   79    H1*    G   8           H1*        G   8   6.028   4.663   8.841
   80    H8     G   8           H8         G   8   9.443   3.486   7.431
   81    H1     G   8           H1         G   8   5.308  -1.141   9.063
   82   1H2     G   8          1H2         G   8   3.161   1.471   9.792
   83   2H2     G   8          2H2         G   8   3.403  -0.261   9.726
   84   1H2*    G   8          1H2*        G   8   9.012   5.317   8.709
   85   2H2*    G   8          2H2*        G   8   7.894   5.598  10.035
   86   1H5*    C   9          1H5*        C   9   4.521   7.283  10.860
   87   2H5*    C   9          2H5*        C   9   4.489   8.530  12.124
   88    H4*    C   9           H4*        C   9   3.703   6.519  13.089
   89    H3*    C   9           H3*        C   9   5.940   7.779  14.195
   90    H1*    C   9           H1*        C   9   5.259   4.020  13.910
   91   1H4     C   9          1H4         C   9  10.308   1.416  10.478
   92   2H4     C   9          2H4         C   9   9.239   0.109  10.926
   93    H6     C   9           H6         C   9   8.266   5.254  12.104
   94   1H2*    C   9          1H2*        C   9   7.523   6.072  13.760
   95   2H2*    C   9          2H2*        C   9   6.794   5.363  15.192
   96   1H5*    G  10          1H5*        G  10   2.926   5.479  17.133
   97   2H5*    G  10          2H5*        G  10   2.769   6.542  18.547
   98    H4*    G  10           H4*        G  10   2.532   4.316  19.302
   99    H3*    G  10           H3*        G  10   4.349   5.894  20.520
  100    H1*    G  10           H1*        G  10   5.308   2.280  19.443
  101    H8     G  10           H8         G  10   6.994   5.049  17.347
  102    H1     G  10           H1         G  10   8.464  -0.978  15.716
  103   1H2     G  10          1H2         G  10   6.131  -1.865  18.108
  104   2H2     G  10          2H2         G  10   7.288  -2.403  16.907
  105    H3T    G  10           H3T        G  10   3.691   3.178  21.008
  106   1H2*    G  10          1H2*        G  10   6.318   5.156  19.391
  107   2H2*    G  10          2H2*        G  10   6.299   4.022  20.735
  108   1H5*    C  11          1H5*        C  11  12.487  -8.364  15.025
  109   2H5*    C  11          2H5*        C  11  12.611  -6.816  15.883
  110    H4*    C  11           H4*        C  11  10.541  -8.441  17.035
  111    H3*    C  11           H3*        C  11  10.545  -9.129  14.423
  112    H1*    C  11           H1*        C  11   8.413  -6.098  15.652
  113   1H4     C  11          1H4         C  11  11.366  -0.804  12.966
  114   2H4     C  11          2H4         C  11  10.074  -0.224  13.987
  115    H6     C  11           H6         C  11  11.364  -5.411  13.528
  116   1H2*    C  11          1H2*        C  11  10.311  -6.972  13.438
  117   2H2*    C  11          2H2*        C  11   8.613  -7.371  13.660
  118   1H5*    G  12          1H5*        G  12   6.418  -8.004  15.755
  119   2H5*    G  12          2H5*        G  12   5.283  -9.357  15.566
  120    H4*    G  12           H4*        G  12   3.983  -7.563  15.004
  121    H3*    G  12           H3*        G  12   4.555  -9.216  12.856
  122    H1*    G  12           H1*        G  12   4.344  -5.382  12.752
  123    H8     G  12           H8         G  12   7.826  -6.681  11.720
  124    H1     G  12           H1         G  12   7.188  -0.302  11.962
  125   1H2     G  12          1H2         G  12   4.040  -0.975  13.220
  126   2H2     G  12          2H2         G  12   5.216   0.236  12.758
  127   1H2*    G  12          1H2*        G  12   5.969  -7.728  11.653
  128   2H2*    G  12          2H2*        G  12   4.415  -7.124  11.098
  129   1H5*    C  13          1H5*        C  13   0.937  -6.523  13.063
  130   2H5*    C  13          2H5*        C  13  -0.552  -7.278  12.457
  131    H4*    C  13           H4*        C  13  -0.812  -4.944  12.244
  132    H3*    C  13           H3*        C  13  -1.132  -6.509  10.020
  133    H1*    C  13           H1*        C  13   0.758  -3.126   9.976
  134   1H4     C  13          1H4         C  13   7.042  -4.648   8.473
  135   2H4     C  13          2H4         C  13   6.891  -2.909   8.450
  136    H6     C  13           H6         C  13   2.834  -6.203   9.670
  137   1H2*    C  13          1H2*        C  13   0.897  -5.977   8.894
  138   2H2*    C  13          2H2*        C  13  -0.088  -4.634   8.331
  139   1H5*    G  14          1H5*        G  14  -1.824  -2.426   9.727
  140   2H5*    G  14          2H5*        G  14  -3.471  -1.768   9.820
  141    H4*    G  14           H4*        G  14  -2.496  -0.090   8.678
  142    H3*    G  14           H3*        G  14  -3.973  -1.705   6.937
  143    H1*    G  14           H1*        G  14  -0.614   0.040   6.240
  144    H8     G  14           H8         G  14  -0.316  -3.832   6.185
  145    H1     G  14           H1         G  14   4.808  -0.564   4.132
  146   1H2     G  14          1H2         G  14   2.930   2.244   4.920
  147   2H2     G  14          2H2         G  14   4.443   1.607   4.314
  148   1H2*    G  14          1H2*        G  14  -2.185  -2.507   5.615
  149   2H2*    G  14          2H2*        G  14  -2.327  -0.922   4.867
  150   1H5*  DFC  15          1H5*      DFC  15  -3.788  -0.201   3.729
  151   2H5*  DFC  15          2H5*      DFC  15  -5.083   0.550   2.774
  152    H4*  DFC  15           H4*      DFC  15  -3.807   2.422   2.272
  153    H3*  DFC  15           H3*      DFC  15  -2.749   2.447   4.769
  154   1H2*  DFC  15          1H2*      DFC  15  -1.117   0.728   4.508
  155   2H2*  DFC  15          2H2*      DFC  15  -0.173   2.109   3.973
  156    H1*  DFC  15           H1*      DFC  15  -0.554   1.661   1.662
  157   1H4   DFC  15          1H4       DFC  15   0.927  -4.781   2.007
  158   2H4   DFC  15          2H4       DFC  15   2.378  -3.954   1.491
  159    H5   DFC  15           H5       DFC  15  -1.106  -3.611   2.614
  160    H6   DFC  15           H6       DFC  15  -2.153  -1.420   2.837
  161   1H5*  DFG  16          1H5*      DFG  16  -3.042   6.293   1.722
  162   2H5*  DFG  16          2H5*      DFG  16  -3.813   4.697   1.596
  163    H4*  DFG  16           H4*      DFG  16  -5.260   7.234   2.342
  164    H3*  DFG  16           H3*      DFG  16  -4.341   6.979  -0.165
  165   1H2*  DFG  16          1H2*      DFG  16  -5.275   4.931  -0.859
  166   2H2*  DFG  16          2H2*      DFG  16  -6.697   5.919  -1.162
  167    H1*  DFG  16           H1*      DFG  16  -7.826   5.159   0.693
  168    H8   DFG  16           H8       DFG  16  -8.497   2.817   1.634
  169    H1   DFG  16           H1       DFG  16  -3.120   0.294  -0.787
  170   1H2   DFG  16          1H2       DFG  16  -2.197   3.579  -1.347
  171   2H2   DFG  16          2H2       DFG  16  -1.767   1.885  -1.460
  172   1H5*    C  17          1H5*        C  17  -6.814   7.020  -3.494
  173   2H5*    C  17          2H5*        C  17  -5.476   6.091  -2.788
  174    H4*    C  17           H4*        C  17  -4.317   8.180  -4.284
  175    H3*    C  17           H3*        C  17  -6.646   8.107  -5.518
  176    H1*    C  17           H1*        C  17  -4.157   5.057  -6.495
  177   1H4     C  17          1H4         C  17  -7.021   0.541  -2.565
  178   2H4     C  17          2H4         C  17  -5.692  -0.234  -3.393
  179    H6     C  17           H6         C  17  -6.904   4.959  -3.998
  180   1H2*    C  17          1H2*        C  17  -6.984   5.791  -5.890
  181   2H2*    C  17          2H2*        C  17  -6.029   6.119  -7.326
  182   1H5*    G  18          1H5*        G  18  -3.248   7.630  -8.127
  183   2H5*    G  18          2H5*        G  18  -2.811   9.109  -9.007
  184    H4*    G  18           H4*        G  18  -1.883   7.567 -10.377
  185    H3*    G  18           H3*        G  18  -4.039   8.681 -11.553
  186    H1*    G  18           H1*        G  18  -3.632   4.776 -11.542
  187    H8     G  18           H8         G  18  -6.570   6.156  -9.492
  188    H1     G  18           H1         G  18  -5.528  -0.143  -8.892
  189   1H2     G  18          1H2         G  18  -2.683   0.464 -10.772
  190   2H2     G  18          2H2         G  18  -3.669  -0.714  -9.929
  191   1H2*    G  18          1H2*        G  18  -5.665   6.998 -11.132
  192   2H2*    G  18          2H2*        G  18  -4.998   6.368 -12.629
  193   1H5*    C  19          1H5*        C  19  -1.404   6.146 -14.023
  194   2H5*    C  19          2H5*        C  19  -0.831   6.632 -15.633
  195    H4*    C  19           H4*        C  19  -1.269   4.319 -15.733
  196    H3*    C  19           H3*        C  19  -2.681   6.026 -17.444
  197    H1*    C  19           H1*        C  19  -3.942   2.823 -15.737
  198   1H4     C  19          1H4         C  19  -9.234   4.617 -12.152
  199   2H4     C  19          2H4         C  19  -9.065   2.884 -12.027
  200    H6     C  19           H6         C  19  -5.660   5.984 -14.780
  201   1H2*    C  19          1H2*        C  19  -4.854   5.607 -16.616
  202   2H2*    C  19          2H2*        C  19  -4.695   4.153 -17.590
  203   1H5*    G  20          1H5*        G  20  -1.779   1.786 -18.561
  204   2H5*    G  20          2H5*        G  20  -1.178   1.482 -20.205
  205    H4*    G  20           H4*        G  20  -2.414  -0.410 -19.644
  206    H3*    G  20           H3*        G  20  -3.254   0.996 -21.838
  207    H1*    G  20           H1*        G  20  -5.651  -0.516 -19.236
  208    H8     G  20           H8         G  20  -5.765   3.346 -19.257
  209    H1     G  20           H1         G  20  -9.684   0.441 -15.093
  210   1H2     G  20          1H2         G  20  -8.147  -2.469 -16.147
  211   2H2     G  20          2H2         G  20  -9.348  -1.731 -15.114
  212    H3T    G  20           H3T        G  20  -4.072  -1.486 -20.743
  213   1H2*    G  20          1H2*        G  20  -5.183   2.019 -20.879
  214   2H2*    G  20          2H2*        G  20  -5.892   0.498 -21.403
  215   1HC   CH3   1          1HC       CH3   1 -14.782   1.661 -11.881
  216   2HC   CH3   1          2HC       CH3   1 -14.301   2.413 -13.421
  217   3HC   CH3   1          3HC       CH3   1 -13.391   2.770 -11.934
  218   1HC   CH3   3          1HC       CH3   3  -8.047  -5.119  -6.397
  219   2HC   CH3   3          2HC       CH3   3  -8.995  -3.742  -7.007
  220   3HC   CH3   3          3HC       CH3   3  -7.954  -3.542  -5.578
  221   1HC   CH3   7          1HC       CH3   7  10.341  -1.433   1.733
  222   2HC   CH3   7          2HC       CH3   7   8.957  -2.524   1.486
  223   3HC   CH3   7          3HC       CH3   7   9.716  -2.399   3.091
  224   1HC   CH3   9          1HC       CH3   9  10.300   3.422  10.047
  225   2HC   CH3   9          2HC       CH3   9  10.919   3.341  11.713
  226   3HC   CH3   9          3HC       CH3   9  10.199   4.850  11.104
  227   1HC   CH3  11          1HC       CH3  11  11.358  -2.685  11.606
  228   2HC   CH3  11          2HC       CH3  11  12.382  -4.047  12.120
  229   3HC   CH3  11          3HC       CH3  11  12.712  -2.407  12.727
  230   1HC   CH3  13          1HC       CH3  13   4.657  -7.179   8.888
  231   2HC   CH3  13          2HC       CH3  13   6.191  -6.395   9.334
  232   3HC   CH3  13          3HC       CH3  13   5.536  -6.199   7.691
  233   1HC   CH3  17          1HC       CH3  17  -7.377   2.340  -1.763
  234   2HC   CH3  17          2HC       CH3  17  -8.013   3.877  -2.394
  235   3HC   CH3  17          3HC       CH3  17  -8.551   2.336  -3.099
  236   1HC   CH3  19          1HC       CH3  19  -8.809   6.184 -13.585
  237   2HC   CH3  19          2HC       CH3  19  -7.735   6.283 -12.168
  238   3HC   CH3  19          3HC       CH3  19  -7.261   7.054 -13.700
  Start of MODEL    4
    1   1H5*    C   1          1H5*        C   1 -16.121   0.350 -12.497
    2   2H5*    C   1          2H5*        C   1 -15.639   0.815 -14.141
    3    H4*    C   1           H4*        C   1 -16.058  -1.936 -14.257
    4    H3*    C   1           H3*        C   1 -15.767  -1.718 -11.612
    5    H1*    C   1           H1*        C   1 -12.438  -1.966 -13.788
    6   1H4     C   1          1H4         C   1 -10.349   4.320 -13.420
    7   2H4     C   1          2H4         C   1  -9.098   3.382 -14.192
    8    H6     C   1           H6         C   1 -13.768   1.293 -12.579
    9   1H2*    C   1          1H2*        C   1 -13.713  -0.537 -11.456
   10   2H2*    C   1          2H2*        C   1 -13.065  -2.169 -11.553
   11   1H5*    G   2          1H5*        G   2 -12.695  -4.756 -13.082
   12   2H5*    G   2          2H5*        G   2 -12.818  -6.259 -12.143
   13    H4*    G   2           H4*        G   2 -10.532  -5.832 -12.385
   14    H3*    G   2           H3*        G   2 -11.573  -5.857  -9.777
   15    H1*    G   2           H1*        G   2  -8.750  -3.628 -11.190
   16    H8     G   2           H8         G   2 -11.822  -1.633  -9.916
   17    H1     G   2           H1         G   2  -6.796   1.850 -11.857
   18   1H2     G   2          1H2         G   2  -5.376  -1.209 -12.639
   19   2H2     G   2          2H2         G   2  -5.203   0.532 -12.610
   20   1H2*    G   2          1H2*        G   2 -11.040  -3.638  -9.172
   21   2H2*    G   2          2H2*        G   2  -9.419  -4.296  -9.004
   22   1H5*    C   3          1H5*        C   3  -7.377  -6.832 -10.865
   23   2H5*    C   3          2H5*        C   3  -6.863  -8.410 -10.232
   24    H4*    C   3           H4*        C   3  -4.903  -7.188 -10.637
   25    H3*    C   3           H3*        C   3  -5.275  -8.156  -8.136
   26    H1*    C   3           H1*        C   3  -4.076  -4.490  -8.698
   27   1H4     C   3          1H4         C   3  -9.175  -0.757  -6.669
   28   2H4     C   3          2H4         C   3  -7.859   0.314  -7.087
   29    H6     C   3           H6         C   3  -7.596  -5.017  -7.614
   30   1H2*    C   3          1H2*        C   3  -6.013  -6.166  -7.049
   31   2H2*    C   3          2H2*        C   3  -4.277  -5.974  -6.852
   32   1H5*    G   4          1H5*        G   4  -1.628  -6.237  -8.991
   33   2H5*    G   4          2H5*        G   4  -0.014  -6.979  -8.989
   34    H4*    G   4           H4*        G   4   0.423  -4.857  -8.245
   35    H3*    G   4           H3*        G   4   0.626  -6.838  -6.226
   36    H1*    G   4           H1*        G   4  -0.504  -3.155  -5.987
   37    H8     G   4           H8         G   4  -3.261  -5.694  -4.961
   38    H1     G   4           H1         G   4  -4.452   0.479  -3.678
   39   1H2     G   4          1H2         G   4  -1.377   1.050  -5.150
   40   2H2     G   4          2H2         G   4  -2.792   1.733  -4.376
   41   1H2*    G   4          1H2*        G   4  -0.886  -5.896  -4.692
   42   2H2*    G   4          2H2*        G   4   0.397  -4.723  -4.425
   43   1H5*  DFC   5          1H5*      DFC   5   2.291  -4.912  -3.363
   44   2H5*  DFC   5          2H5*      DFC   5   3.954  -5.000  -2.748
   45    H4*  DFC   5           H4*      DFC   5   4.318  -2.736  -3.003
   46    H3*  DFC   5           H3*      DFC   5   3.011  -2.744  -5.381
   47   1H2*  DFC   5          1H2*      DFC   5   0.764  -2.677  -4.616
   48   2H2*  DFC   5          2H2*      DFC   5   1.100  -0.952  -4.616
   49    H1*  DFC   5           H1*      DFC   5   1.515  -0.873  -2.286
   50   1H4   DFC   5          1H4       DFC   5  -3.727  -4.524  -0.543
   51   2H4   DFC   5          2H4       DFC   5  -4.193  -2.851  -0.349
   52    H5   DFC   5           H5       DFC   5  -1.589  -5.200  -1.442
   53    H6   DFC   5           H6       DFC   5   0.539  -4.411  -2.331
   54   1H5*  DFG   6          1H5*      DFG   6   6.492   0.997  -4.365
   55   2H5*  DFG   6          2H5*      DFG   6   5.829  -0.237  -3.271
   56    H4*  DFG   6           H4*      DFG   6   8.511  -0.393  -4.649
   57    H3*  DFG   6           H3*      DFG   6   8.172   1.355  -2.647
   58   1H2*  DFG   6          1H2*      DFG   6   7.219  -0.139  -1.027
   59   2H2*  DFG   6          2H2*      DFG   6   8.922  -0.237  -0.603
   60    H1*  DFG   6           H1*      DFG   6   9.250  -2.272  -1.824
   61    H8   DFG   6           H8       DFG   6   8.537  -4.559  -0.978
   62    H1   DFG   6           H1       DFG   6   2.703  -2.402   0.571
   63   1H2   DFG   6          1H2       DFG   6   3.715   0.529  -0.966
   64   2H2   DFG   6          2H2       DFG   6   2.442  -0.332  -0.125
   65   1H5*    C   7          1H5*        C   7  11.179   3.965  -0.619
   66   2H5*    C   7          2H5*        C   7  10.965   2.595   0.491
   67    H4*    C   7           H4*        C   7   9.000   4.727  -0.298
   68    H3*    C   7           H3*        C   7  10.601   4.775   1.855
   69    H1*    C   7           H1*        C   7   7.026   3.221   2.187
   70   1H4     C   7          1H4         C   7   8.130  -3.303   2.712
   71   2H4     C   7          2H4         C   7   6.500  -2.989   3.254
   72    H6     C   7           H6         C   7   9.833   0.857   1.538
   73   1H2*    C   7          1H2*        C   7   9.944   2.725   2.890
   74   2H2*    C   7          2H2*        C   7   8.797   3.821   3.646
   75   1H5*    G   8          1H5*        G   8   6.307   5.115   3.336
   76   2H5*    G   8          2H5*        G   8   6.227   6.887   3.404
   77    H4*    G   8           H4*        G   8   4.742   6.408   5.029
   78    H3*    G   8           H3*        G   8   7.035   7.343   6.144
   79    H1*    G   8           H1*        G   8   5.243   4.182   7.568
   80    H8     G   8           H8         G   8   8.636   3.493   5.857
   81    H1     G   8           H1         G   8   5.622  -1.630   8.265
   82   1H2     G   8          1H2         G   8   3.059   0.590   8.951
   83   2H2     G   8          2H2         G   8   3.638  -1.061   9.023
   84   1H2*    G   8          1H2*        G   8   7.992   5.289   6.869
   85   2H2*    G   8          2H2*        G   8   6.986   5.634   8.268
   86   1H5*    C   9          1H5*        C   9   3.376   6.978   8.573
   87   2H5*    C   9          2H5*        C   9   2.825   8.312   9.609
   88    H4*    C   9           H4*        C   9   2.224   6.232  10.621
   89    H3*    C   9           H3*        C   9   3.681   8.135  12.036
   90    H1*    C   9           H1*        C   9   4.051   4.336  12.218
   91   1H4     C   9          1H4         C   9  10.278   2.870  10.431
   92   2H4     C   9          2H4         C   9   9.551   1.424  11.087
   93    H6     C   9           H6         C   9   6.941   6.092  10.653
   94   1H2*    C   9          1H2*        C   9   5.708   6.911  12.221
   95   2H2*    C   9          2H2*        C   9   4.842   6.184  13.565
   96   1H5*    G  10          1H5*        G  10   0.925   5.100  14.245
   97   2H5*    G  10          2H5*        G  10  -0.019   5.989  15.460
   98    H4*    G  10           H4*        G  10   0.171   3.820  16.291
   99    H3*    G  10           H3*        G  10   1.147   5.801  17.862
  100    H1*    G  10           H1*        G  10   3.143   2.518  17.295
  101    H8     G  10           H8         G  10   4.634   5.578  15.449
  102    H1     G  10           H1         G  10   8.097   0.185  15.217
  103   1H2     G  10          1H2         G  10   5.466  -1.215  16.975
  104   2H2     G  10          2H2         G  10   7.034  -1.449  16.235
  105    H3T    G  10           H3T        G  10   1.048   4.240  19.488
  106   1H2*    G  10          1H2*        G  10   3.473   5.548  17.392
  107   2H2*    G  10          2H2*        G  10   3.319   4.417  18.730
  108   1H5*    C  11          1H5*        C  11  13.852  -4.898  15.905
  109   2H5*    C  11          2H5*        C  11  13.891  -4.300  17.575
  110    H4*    C  11           H4*        C  11  12.208  -6.177  18.062
  111    H3*    C  11           H3*        C  11  12.489  -7.059  15.546
  112    H1*    C  11           H1*        C  11   9.554  -4.559  16.340
  113   1H4     C  11          1H4         C  11  11.602   1.069  13.483
  114   2H4     C  11          2H4         C  11   9.967   1.317  14.041
  115    H6     C  11           H6         C  11  12.656  -3.274  14.736
  116   1H2*    C  11          1H2*        C  11  11.763  -5.135  14.338
  117   2H2*    C  11          2H2*        C  11  10.215  -5.943  14.547
  118   1H5*    G  12          1H5*        G  12   8.038  -6.929  16.511
  119   2H5*    G  12          2H5*        G  12   7.297  -8.512  16.199
  120    H4*    G  12           H4*        G  12   5.751  -7.005  15.379
  121    H3*    G  12           H3*        G  12   7.049  -8.579  13.420
  122    H1*    G  12           H1*        G  12   5.806  -4.920  13.191
  123    H8     G  12           H8         G  12   9.570  -5.397  12.429
  124    H1     G  12           H1         G  12   7.347   0.600  11.954
  125   1H2     G  12          1H2         G  12   4.369  -0.747  13.094
  126   2H2     G  12          2H2         G  12   5.235   0.681  12.567
  127   1H2*    G  12          1H2*        G  12   7.924  -6.832  12.109
  128   2H2*    G  12          2H2*        G  12   6.255  -6.627  11.598
  129   1H5*    C  13          1H5*        C  13   2.556  -7.625  13.315
  130   2H5*    C  13          2H5*        C  13   1.519  -8.695  12.348
  131    H4*    C  13           H4*        C  13   0.773  -6.340  12.414
  132    H3*    C  13           H3*        C  13   0.627  -7.971  10.229
  133    H1*    C  13           H1*        C  13   1.867  -4.319  10.037
  134   1H4     C  13          1H4         C  13   8.280  -4.632   8.358
  135   2H4     C  13          2H4         C  13   7.737  -2.992   8.099
  136    H6     C  13           H6         C  13   4.553  -6.902   9.943
  137   1H2*    C  13          1H2*        C  13   2.508  -7.128   9.025
  138   2H2*    C  13          2H2*        C  13   1.275  -6.014   8.453
  139   1H5*    G  14          1H5*        G  14  -0.786  -3.659   9.914
  140   2H5*    G  14          2H5*        G  14  -2.549  -3.807   9.754
  141    H4*    G  14           H4*        G  14  -1.965  -1.683   8.928
  142    H3*    G  14           H3*        G  14  -3.321  -3.401   7.272
  143    H1*    G  14           H1*        G  14  -0.371  -1.172   6.093
  144    H8     G  14           H8         G  14   0.535  -4.941   6.303
  145    H1     G  14           H1         G  14   4.801  -1.165   3.351
  146   1H2     G  14          1H2         G  14   2.602   1.392   4.123
  147   2H2     G  14          2H2         G  14   4.121   0.928   3.384
  148   1H2*    G  14          1H2*        G  14  -1.562  -3.964   5.781
  149   2H2*    G  14          2H2*        G  14  -2.072  -2.460   5.028
  150   1H5*  DFC  15          1H5*      DFC  15  -4.005  -1.754   4.018
  151   2H5*  DFC  15          2H5*      DFC  15  -5.485  -0.993   3.400
  152    H4*  DFC  15           H4*      DFC  15  -4.415   0.971   2.852
  153    H3*  DFC  15           H3*      DFC  15  -2.970   0.848   5.168
  154   1H2*  DFC  15          1H2*      DFC  15  -1.190  -0.547   4.489
  155   2H2*  DFC  15          2H2*      DFC  15  -0.564   0.966   3.851
  156    H1*  DFC  15           H1*      DFC  15  -1.262   0.518   1.647
  157   1H4   DFC  15          1H4       DFC  15   0.785  -5.784   1.579
  158   2H4   DFC  15          2H4       DFC  15   1.990  -4.841   0.735
  159    H5   DFC  15           H5       DFC  15  -1.144  -4.788   2.653
  160    H6   DFC  15           H6       DFC  15  -2.324  -2.700   3.086
  161   1H5*  DFG  16          1H5*      DFG  16  -3.503   5.713   3.067
  162   2H5*  DFG  16          2H5*      DFG  16  -3.855   4.138   2.326
  163    H4*  DFG  16           H4*      DFG  16  -5.859   6.096   3.450
  164    H3*  DFG  16           H3*      DFG  16  -4.768   6.454   1.034
  165   1H2*  DFG  16          1H2*      DFG  16  -5.184   4.280   0.116
  166   2H2*  DFG  16          2H2*      DFG  16  -6.612   5.140  -0.436
  167    H1*  DFG  16           H1*      DFG  16  -7.981   4.285   1.327
  168    H8   DFG  16           H8       DFG  16  -8.844   1.872   1.722
  169    H1   DFG  16           H1       DFG  16  -3.375  -0.537  -0.603
  170   1H2   DFG  16          1H2       DFG  16  -2.249   2.731  -0.492
  171   2H2   DFG  16          2H2       DFG  16  -1.892   1.061  -0.876
  172   1H5*    C  17          1H5*        C  17  -5.858   9.449  -2.045
  173   2H5*    C  17          2H5*        C  17  -6.994   8.230  -2.657
  174    H4*    C  17           H4*        C  17  -4.066   8.479  -2.999
  175    H3*    C  17           H3*        C  17  -6.074   8.632  -4.802
  176    H1*    C  17           H1*        C  17  -3.988   5.425  -4.420
  177   1H4     C  17          1H4         C  17  -7.953   0.800  -1.783
  178   2H4     C  17          2H4         C  17  -6.530   0.001  -2.408
  179    H6     C  17           H6         C  17  -7.294   5.306  -2.700
  180   1H2*    C  17          1H2*        C  17  -6.886   6.384  -4.601
  181   2H2*    C  17          2H2*        C  17  -5.722   6.195  -5.903
  182   1H5*    G  18          1H5*        G  18  -1.958   7.737  -6.336
  183   2H5*    G  18          2H5*        G  18  -1.210   9.081  -7.223
  184    H4*    G  18           H4*        G  18  -0.307   7.274  -8.288
  185    H3*    G  18           H3*        G  18  -1.941   8.690  -9.896
  186    H1*    G  18           H1*        G  18  -2.233   4.810  -9.747
  187    H8     G  18           H8         G  18  -5.155   6.688  -8.055
  188    H1     G  18           H1         G  18  -5.576   0.288  -8.072
  189   1H2     G  18          1H2         G  18  -2.430   0.395  -9.495
  190   2H2     G  18          2H2         G  18  -3.748  -0.600  -8.916
  191   1H2*    G  18          1H2*        G  18  -3.913   7.353  -9.715
  192   2H2*    G  18          2H2*        G  18  -3.138   6.565 -11.081
  193   1H5*    C  19          1H5*        C  19   0.633   5.548 -12.052
  194   2H5*    C  19          2H5*        C  19   1.284   5.976 -13.649
  195    H4*    C  19           H4*        C  19   0.473   3.701 -13.635
  196    H3*    C  19           H3*        C  19  -0.279   5.548 -15.595
  197    H1*    C  19           H1*        C  19  -2.407   2.774 -14.033
  198   1H4     C  19          1H4         C  19  -7.708   5.719 -11.328
  199   2H4     C  19          2H4         C  19  -7.966   3.993 -11.276
  200    H6     C  19           H6         C  19  -3.518   6.246 -13.259
  201   1H2*    C  19          1H2*        C  19  -2.587   5.647 -15.072
  202   2H2*    C  19          2H2*        C  19  -2.612   4.155 -15.999
  203   1H5*    G  20          1H5*        G  20   0.103   0.967 -16.594
  204   2H5*    G  20          2H5*        G  20   0.842   0.839 -18.205
  205    H4*    G  20           H4*        G  20  -0.505  -1.081 -17.855
  206    H3*    G  20           H3*        G  20  -0.833   0.352 -20.117
  207    H1*    G  20           H1*        G  20  -3.930  -0.768 -18.041
  208    H8     G  20           H8         G  20  -3.053   2.986 -17.636
  209    H1     G  20           H1         G  20  -8.586   1.081 -15.014
  210   1H2     G  20          1H2         G  20  -7.668  -2.070 -16.125
  211   2H2     G  20          2H2         G  20  -8.852  -1.090 -15.290
  212    H3T    G  20           H3T        G  20  -2.217  -1.966 -19.241
  213   1H2*    G  20          1H2*        G  20  -2.741   1.640 -19.482
  214   2H2*    G  20          2H2*        G  20  -3.544   0.234 -20.168
  215   1HC   CH3   1          1HC       CH3   1 -12.666   4.194 -13.741
  216   2HC   CH3   1          2HC       CH3   1 -11.959   4.142 -12.108
  217   3HC   CH3   1          3HC       CH3   1 -13.589   3.489 -12.393
  218   1HC   CH3   3          1HC       CH3   3  -9.385  -4.249  -6.567
  219   2HC   CH3   3          2HC       CH3   3  -9.971  -2.655  -7.102
  220   3HC   CH3   3          3HC       CH3   3  -9.051  -2.804  -5.584
  221   1HC   CH3   7          1HC       CH3   7  10.027  -2.366   2.569
  222   2HC   CH3   7          2HC       CH3   7  10.576  -1.215   1.329
  223   3HC   CH3   7          3HC       CH3   7   9.289  -2.383   0.950
  224   1HC   CH3   9          1HC       CH3   9   8.938   6.025   9.713
  225   2HC   CH3   9          2HC       CH3   9   9.420   4.429   9.089
  226   3HC   CH3   9          3HC       CH3   9  10.128   5.044  10.602
  227   1HC   CH3  11          1HC       CH3  11  13.693  -1.735  13.539
  228   2HC   CH3  11          2HC       CH3  11  13.343  -0.047  13.981
  229   3HC   CH3  11          3HC       CH3  11  12.589  -0.764  12.537
  230   1HC   CH3  13          1HC       CH3  13   7.211  -6.583   7.911
  231   2HC   CH3  13          2HC       CH3  13   6.555  -7.544   9.257
  232   3HC   CH3  13          3HC       CH3  13   7.857  -6.368   9.555
  233   1HC   CH3  17          1HC       CH3  17  -9.214   2.745  -2.744
  234   2HC   CH3  17          2HC       CH3  17  -8.590   2.484  -1.098
  235   3HC   CH3  17          3HC       CH3  17  -8.909   4.135  -1.676
  236   1HC   CH3  19          1HC       CH3  19  -6.671   7.179 -12.607
  237   2HC   CH3  19          2HC       CH3  19  -5.919   6.973 -11.008
  238   3HC   CH3  19          3HC       CH3  19  -4.971   7.641 -12.357
  Start of MODEL    5
    1   1H5*    C   1          1H5*        C   1 -15.700  -0.167 -14.097
    2   2H5*    C   1          2H5*        C   1 -15.243   0.004 -15.803
    3    H4*    C   1           H4*        C   1 -14.459  -2.532 -15.342
    4    H3*    C   1           H3*        C   1 -14.961  -1.919 -12.743
    5    H1*    C   1           H1*        C   1 -11.448  -1.651 -14.264
    6   1H4     C   1          1H4         C   1  -9.779   4.769 -14.329
    7   2H4     C   1          2H4         C   1  -8.407   3.855 -14.908
    8    H6     C   1           H6         C   1 -13.089   1.608 -13.541
    9   1H2*    C   1          1H2*        C   1 -13.424  -0.094 -12.524
   10   2H2*    C   1          2H2*        C   1 -12.392  -1.436 -12.054
   11   1H5*    G   2          1H5*        G   2 -11.626  -5.193 -13.638
   12   2H5*    G   2          2H5*        G   2 -12.337  -6.575 -12.780
   13    H4*    G   2           H4*        G   2 -10.060  -7.041 -12.875
   14    H3*    G   2           H3*        G   2 -11.102  -6.972 -10.421
   15    H1*    G   2           H1*        G   2  -7.899  -4.710 -11.090
   16    H8     G   2           H8         G   2 -11.333  -2.993 -10.771
   17    H1     G   2           H1         G   2  -6.397   0.895 -12.061
   18   1H2     G   2          1H2         G   2  -4.554  -2.023 -12.276
   19   2H2     G   2          2H2         G   2  -4.559  -0.277 -12.384
   20   1H2*    G   2          1H2*        G   2 -10.623  -4.734  -9.779
   21   2H2*    G   2          2H2*        G   2  -9.126  -5.491  -9.257
   22   1H5*    C   3          1H5*        C   3  -6.714  -8.286 -10.752
   23   2H5*    C   3          2H5*        C   3  -6.199  -9.586  -9.658
   24    H4*    C   3           H4*        C   3  -4.406  -8.016 -10.031
   25    H3*    C   3           H3*        C   3  -5.073  -8.893  -7.522
   26    H1*    C   3           H1*        C   3  -4.210  -5.210  -8.332
   27   1H4     C   3          1H4         C   3  -9.760  -1.775  -7.124
   28   2H4     C   3          2H4         C   3  -8.516  -0.633  -7.573
   29    H6     C   3           H6         C   3  -7.740  -5.942  -7.434
   30   1H2*    C   3          1H2*        C   3  -6.155  -6.928  -6.723
   31   2H2*    C   3          2H2*        C   3  -4.493  -6.502  -6.341
   32   1H5*    G   4          1H5*        G   4  -1.570  -6.572  -8.215
   33   2H5*    G   4          2H5*        G   4   0.040  -7.282  -7.978
   34    H4*    G   4           H4*        G   4   0.380  -5.008  -7.716
   35    H3*    G   4           H3*        G   4   0.788  -6.573  -5.438
   36    H1*    G   4           H1*        G   4  -0.716  -3.012  -5.581
   37    H8     G   4           H8         G   4  -3.272  -5.713  -4.466
   38    H1     G   4           H1         G   4  -5.079   0.392  -3.663
   39   1H2     G   4          1H2         G   4  -2.014   1.160  -5.073
   40   2H2     G   4          2H2         G   4  -3.518   1.751  -4.399
   41   1H2*    G   4          1H2*        G   4  -0.905  -5.658  -4.069
   42   2H2*    G   4          2H2*        G   4   0.264  -4.361  -3.872
   43   1H5*  DFC   5          1H5*      DFC   5   2.240  -4.250  -2.814
   44   2H5*  DFC   5          2H5*      DFC   5   3.920  -4.102  -2.257
   45    H4*  DFC   5           H4*      DFC   5   3.985  -1.832  -2.598
   46    H3*  DFC   5           H3*      DFC   5   2.738  -2.097  -4.981
   47   1H2*  DFC   5          1H2*      DFC   5   0.490  -2.324  -4.236
   48   2H2*  DFC   5          2H2*      DFC   5   0.577  -0.573  -4.342
   49    H1*  DFC   5           H1*      DFC   5   0.944  -0.299  -2.011
   50   1H4   DFC   5          1H4       DFC   5  -3.790  -4.522  -0.113
   51   2H4   DFC   5          2H4       DFC   5  -4.477  -2.918  -0.022
   52    H5   DFC   5           H5       DFC   5  -1.565  -4.953  -0.947
   53    H6   DFC   5           H6       DFC   5   0.455  -3.933  -1.854
   54   1H5*  DFG   6          1H5*      DFG   6   5.911   1.660  -3.888
   55   2H5*  DFG   6          2H5*      DFG   6   5.273   0.262  -2.996
   56    H4*  DFG   6           H4*      DFG   6   7.893   0.220  -4.481
   57    H3*  DFG   6           H3*      DFG   6   7.719   1.896  -2.399
   58   1H2*  DFG   6          1H2*      DFG   6   6.791   0.348  -0.806
   59   2H2*  DFG   6          2H2*      DFG   6   8.507   0.228  -0.446
   60    H1*  DFG   6           H1*      DFG   6   8.777  -1.755  -1.793
   61    H8   DFG   6           H8       DFG   6   8.053  -4.123  -1.140
   62    H1   DFG   6           H1       DFG   6   2.527  -1.932   1.265
   63   1H2   DFG   6          1H2       DFG   6   3.496   1.097  -0.089
   64   2H2   DFG   6          2H2       DFG   6   2.287   0.206   0.808
   65   1H5*    C   7          1H5*        C   7  11.135   3.755   0.054
   66   2H5*    C   7          2H5*        C   7  10.838   2.256   0.961
   67    H4*    C   7           H4*        C   7   9.097   4.688   0.687
   68    H3*    C   7           H3*        C   7  10.830   4.197   2.678
   69    H1*    C   7           H1*        C   7   7.126   3.087   3.058
   70   1H4     C   7          1H4         C   7   7.181  -3.528   2.537
   71   2H4     C   7          2H4         C   7   5.696  -3.062   3.333
   72    H6     C   7           H6         C   7   9.424   0.463   1.746
   73   1H2*    C   7          1H2*        C   7   9.982   2.076   3.398
   74   2H2*    C   7          2H2*        C   7   9.069   3.154   4.443
   75   1H5*    G   8          1H5*        G   8   7.116   6.198   4.296
   76   2H5*    G   8          2H5*        G   8   7.477   7.915   4.566
   77    H4*    G   8           H4*        G   8   6.000   7.605   6.239
   78    H3*    G   8           H3*        G   8   8.493   7.822   7.271
   79    H1*    G   8           H1*        G   8   6.081   5.004   8.466
   80    H8     G   8           H8         G   8   9.128   3.762   6.459
   81    H1     G   8           H1         G   8   4.989  -0.773   8.314
   82   1H2     G   8          1H2         G   8   3.080   1.865   9.471
   83   2H2     G   8          2H2         G   8   3.237   0.133   9.269
   84   1H2*    G   8          1H2*        G   8   8.968   5.514   7.633
   85   2H2*    G   8          2H2*        G   8   8.180   5.891   9.158
   86   1H5*    C   9          1H5*        C   9   5.049   7.984  10.005
   87   2H5*    C   9          2H5*        C   9   4.884   9.185  11.305
   88    H4*    C   9           H4*        C   9   4.028   7.123  12.103
   89    H3*    C   9           H3*        C   9   6.122   8.378  13.481
   90    H1*    C   9           H1*        C   9   5.523   4.610  12.992
   91   1H4     C   9          1H4         C   9  10.970   2.283   9.982
   92   2H4     C   9          2H4         C   9   9.972   0.919  10.417
   93    H6     C   9           H6         C   9   8.590   6.006  11.408
   94   1H2*    C   9          1H2*        C   9   7.755   6.690  13.211
   95   2H2*    C   9          2H2*        C   9   6.848   5.922  14.505
   96   1H5*    G  10          1H5*        G  10   2.942   5.865  15.641
   97   2H5*    G  10          2H5*        G  10   2.428   6.600  17.174
   98    H4*    G  10           H4*        G  10   2.182   4.258  17.383
   99    H3*    G  10           H3*        G  10   3.619   5.591  19.258
  100    H1*    G  10           H1*        G  10   4.895   2.254  17.737
  101    H8     G  10           H8         G  10   6.892   5.358  16.572
  102    H1     G  10           H1         G  10   9.086  -0.320  14.552
  103   1H2     G  10          1H2         G  10   6.313  -1.618  16.161
  104   2H2     G  10          2H2         G  10   7.753  -1.937  15.222
  105    H3T    G  10           H3T        G  10   2.194   4.074  19.880
  106   1H2*    G  10          1H2*        G  10   5.817   5.060  18.500
  107   2H2*    G  10          2H2*        G  10   5.526   3.676  19.547
  108   1H5*    C  11          1H5*        C  11  13.768  -6.568  13.261
  109   2H5*    C  11          2H5*        C  11  13.753  -5.718  14.819
  110    H4*    C  11           H4*        C  11  12.027  -7.826  15.222
  111    H3*    C  11           H3*        C  11  12.078  -7.978  12.556
  112    H1*    C  11           H1*        C  11   9.525  -5.387  14.183
  113   1H4     C  11          1H4         C  11  12.607   0.310  12.751
  114   2H4     C  11          2H4         C  11  11.077   0.704  13.498
  115    H6     C  11           H6         C  11  12.788  -4.327  12.751
  116   1H2*    C  11          1H2*        C  11  11.513  -5.755  11.942
  117   2H2*    C  11          2H2*        C  11   9.885  -6.397  12.113
  118   1H5*    G  12          1H5*        G  12   7.904  -8.037  14.287
  119   2H5*    G  12          2H5*        G  12   6.893  -9.375  13.703
  120    H4*    G  12           H4*        G  12   5.476  -7.520  13.984
  121    H3*    G  12           H3*        G  12   5.689  -8.666  11.444
  122    H1*    G  12           H1*        G  12   5.327  -4.875  12.255
  123    H8     G  12           H8         G  12   8.612  -5.873  10.464
  124    H1     G  12           H1         G  12   7.743   0.408  11.438
  125   1H2     G  12          1H2         G  12   4.836  -0.559  13.044
  126   2H2     G  12          2H2         G  12   5.873   0.758  12.544
  127   1H2*    G  12          1H2*        G  12   6.576  -6.819  10.272
  128   2H2*    G  12          2H2*        G  12   4.923  -6.229  10.361
  129   1H5*    C  13          1H5*        C  13   2.193  -6.420  12.944
  130   2H5*    C  13          2H5*        C  13   0.635  -7.247  12.737
  131    H4*    C  13           H4*        C  13   0.212  -4.926  12.943
  132    H3*    C  13           H3*        C  13  -0.816  -6.284  10.827
  133    H1*    C  13           H1*        C  13   0.916  -2.811  10.359
  134   1H4     C  13          1H4         C  13   6.381  -4.240   6.873
  135   2H4     C  13          2H4         C  13   6.249  -2.502   6.970
  136    H6     C  13           H6         C  13   2.779  -5.859   9.306
  137   1H2*    C  13          1H2*        C  13   0.689  -5.584   9.124
  138   2H2*    C  13          2H2*        C  13  -0.444  -4.243   9.050
  139   1H5*    G  14          1H5*        G  14  -1.477  -2.057  10.416
  140   2H5*    G  14          2H5*        G  14  -3.175  -1.550  10.537
  141    H4*    G  14           H4*        G  14  -2.452  -0.107   8.950
  142    H3*    G  14           H3*        G  14  -3.981  -2.174   7.824
  143    H1*    G  14           H1*        G  14  -0.910  -0.401   6.331
  144    H8     G  14           H8         G  14  -0.333  -4.200   6.876
  145    H1     G  14           H1         G  14   4.367  -1.013   3.888
  146   1H2     G  14          1H2         G  14   2.380   1.770   4.417
  147   2H2     G  14          2H2         G  14   3.874   1.127   3.767
  148   1H2*    G  14          1H2*        G  14  -2.310  -3.115   6.447
  149   2H2*    G  14          2H2*        G  14  -2.685  -1.735   5.426
  150   1H5*  DFC  15          1H5*      DFC  15  -4.358  -0.895   4.114
  151   2H5*  DFC  15          2H5*      DFC  15  -5.833  -0.260   3.355
  152    H4*  DFC  15           H4*      DFC  15  -4.811   1.669   2.648
  153    H3*  DFC  15           H3*      DFC  15  -3.598   1.983   5.033
  154   1H2*  DFC  15          1H2*      DFC  15  -1.814   0.421   4.782
  155   2H2*  DFC  15          2H2*      DFC  15  -1.049   1.849   4.104
  156    H1*  DFC  15           H1*      DFC  15  -1.463   1.192   1.860
  157   1H4   DFC  15          1H4       DFC  15   0.477  -5.096   2.609
  158   2H4   DFC  15          2H4       DFC  15   1.820  -4.227   1.900
  159    H5   DFC  15           H5       DFC  15  -1.589  -4.015   3.254
  160    H6   DFC  15           H6       DFC  15  -2.776  -1.890   3.364
  161   1H5*  DFG  16          1H5*      DFG  16  -4.538   6.029   2.049
  162   2H5*  DFG  16          2H5*      DFG  16  -4.739   4.266   1.956
  163    H4*  DFG  16           H4*      DFG  16  -6.872   6.096   3.030
  164    H3*  DFG  16           H3*      DFG  16  -6.191   6.429   0.452
  165   1H2*  DFG  16          1H2*      DFG  16  -6.360   4.141  -0.253
  166   2H2*  DFG  16          2H2*      DFG  16  -7.974   4.723  -0.635
  167    H1*  DFG  16           H1*      DFG  16  -8.914   3.862   1.401
  168    H8   DFG  16           H8       DFG  16  -9.503   1.416   1.789
  169    H1   DFG  16           H1       DFG  16  -3.875  -0.527  -0.591
  170   1H2   DFG  16          1H2       DFG  16  -3.107   2.844  -0.715
  171   2H2   DFG  16          2H2       DFG  16  -2.586   1.200  -1.016
  172   1H5*    C  17          1H5*        C  17  -8.415   8.695  -2.821
  173   2H5*    C  17          2H5*        C  17  -8.744   6.964  -3.040
  174    H4*    C  17           H4*        C  17  -6.130   8.432  -3.306
  175    H3*    C  17           H3*        C  17  -7.855   8.063  -5.307
  176    H1*    C  17           H1*        C  17  -5.176   5.265  -4.667
  177   1H4     C  17          1H4         C  17  -8.645   0.379  -1.815
  178   2H4     C  17          2H4         C  17  -7.131  -0.288  -2.371
  179    H6     C  17           H6         C  17  -8.496   4.862  -3.021
  180   1H2*    C  17          1H2*        C  17  -8.142   5.692  -5.166
  181   2H2*    C  17          2H2*        C  17  -6.806   5.770  -6.306
  182   1H5*    G  18          1H5*        G  18  -3.845   7.015  -6.291
  183   2H5*    G  18          2H5*        G  18  -2.974   8.468  -6.823
  184    H4*    G  18           H4*        G  18  -1.581   6.906  -7.653
  185    H3*    G  18           H3*        G  18  -2.904   8.066  -9.681
  186    H1*    G  18           H1*        G  18  -2.813   4.120  -9.495
  187    H8     G  18           H8         G  18  -6.133   5.850  -8.524
  188    H1     G  18           H1         G  18  -6.180  -0.563  -8.449
  189   1H2     G  18          1H2         G  18  -2.831  -0.289  -9.260
  190   2H2     G  18          2H2         G  18  -4.181  -1.347  -8.915
  191   1H2*    G  18          1H2*        G  18  -4.631   6.477 -10.055
  192   2H2*    G  18          2H2*        G  18  -3.385   5.762 -11.068
  193   1H5*    C  19          1H5*        C  19   0.020   5.151 -10.645
  194   2H5*    C  19          2H5*        C  19   1.504   5.421 -11.584
  195    H4*    C  19           H4*        C  19   0.910   3.299 -12.223
  196    H3*    C  19           H3*        C  19   0.578   5.216 -14.228
  197    H1*    C  19           H1*        C  19  -1.640   2.158 -13.521
  198   1H4     C  19          1H4         C  19  -7.749   4.516 -12.412
  199   2H4     C  19          2H4         C  19  -7.816   2.777 -12.272
  200    H6     C  19           H6         C  19  -3.281   5.478 -13.244
  201   1H2*    C  19          1H2*        C  19  -1.772   5.065 -14.457
  202   2H2*    C  19          2H2*        C  19  -1.355   3.634 -15.387
  203   1H5*    G  20          1H5*        G  20   0.899   0.832 -15.392
  204   2H5*    G  20          2H5*        G  20   2.070   0.540 -16.695
  205    H4*    G  20           H4*        G  20   0.373  -1.037 -17.005
  206    H3*    G  20           H3*        G  20   0.878   0.646 -19.075
  207    H1*    G  20           H1*        G  20  -2.703  -0.236 -17.992
  208    H8     G  20           H8         G  20  -1.873   3.474 -17.337
  209    H1     G  20           H1         G  20  -7.708   1.547 -15.501
  210   1H2     G  20          1H2         G  20  -6.601  -1.602 -16.414
  211   2H2     G  20          2H2         G  20  -7.910  -0.628 -15.780
  212    H3T    G  20           H3T        G  20  -0.242  -0.888 -20.286
  213   1H2*    G  20          1H2*        G  20  -0.950   2.153 -18.751
  214   2H2*    G  20          2H2*        G  20  -1.701   0.976 -19.819
  215   1HC   CH3   1          1HC       CH3   1 -12.038   4.497 -14.787
  216   2HC   CH3   1          2HC       CH3   1 -11.469   4.572 -13.102
  217   3HC   CH3   1          3HC       CH3   1 -13.036   3.817 -13.480
  218   1HC   CH3   3          1HC       CH3   3  -9.711  -5.248  -6.720
  219   2HC   CH3   3          2HC       CH3   3 -10.348  -3.774  -7.487
  220   3HC   CH3   3          3HC       CH3   3  -9.628  -3.692  -5.861
  221   1HC   CH3   7          1HC       CH3   7   9.808  -1.690   1.222
  222   2HC   CH3   7          2HC       CH3   7   8.498  -2.891   1.311
  223   3HC   CH3   7          3HC       CH3   7   9.500  -2.561   2.743
  224   1HC   CH3   9          1HC       CH3   9  10.405   4.327   9.162
  225   2HC   CH3   9          2HC       CH3   9  11.392   4.269  10.643
  226   3HC   CH3   9          3HC       CH3   9  10.455   5.731  10.257
  227   1HC   CH3  11          1HC       CH3  11  14.103  -1.212  12.876
  228   2HC   CH3  11          2HC       CH3  11  13.233  -1.339  11.330
  229   3HC   CH3  11          3HC       CH3  11  14.116  -2.744  11.973
  230   1HC   CH3  13          1HC       CH3  13   5.793  -6.111   8.009
  231   2HC   CH3  13          2HC       CH3  13   4.835  -5.706   6.565
  232   3HC   CH3  13          3HC       CH3  13   4.150  -6.768   7.817
  233   1HC   CH3  17          1HC       CH3  17 -10.085   2.004  -2.780
  234   2HC   CH3  17          2HC       CH3  17  -9.422   2.138  -1.133
  235   3HC   CH3  17          3HC       CH3  17  -9.994   3.593  -1.984
  236   1HC   CH3  19          1HC       CH3  19  -6.375   6.127 -12.054
  237   2HC   CH3  19          2HC       CH3  19  -5.122   6.698 -13.180
  238   3HC   CH3  19          3HC       CH3  19  -6.560   5.855 -13.803
  Start of MODEL    6
    1   1H5*    C   1          1H5*        C   1 -15.749  -2.135 -13.601
    2   2H5*    C   1          2H5*        C   1 -15.810  -2.024 -15.371
    3    H4*    C   1           H4*        C   1 -14.792  -4.388 -15.330
    4    H3*    C   1           H3*        C   1 -14.988  -4.328 -12.625
    5    H1*    C   1           H1*        C   1 -11.632  -3.462 -14.418
    6   1H4     C   1          1H4         C   1 -10.686   2.978 -13.160
    7   2H4     C   1          2H4         C   1  -9.404   2.453 -14.221
    8    H6     C   1           H6         C   1 -13.414  -0.743 -12.641
    9   1H2*    C   1          1H2*        C   1 -13.452  -2.574 -12.145
   10   2H2*    C   1          2H2*        C   1 -12.324  -3.921 -12.199
   11   1H5*    G   2          1H5*        G   2 -11.091  -6.774 -13.770
   12   2H5*    G   2          2H5*        G   2 -11.070  -8.226 -12.746
   13    H4*    G   2           H4*        G   2  -8.885  -7.341 -12.758
   14    H3*    G   2           H3*        G   2 -10.243  -7.568 -10.301
   15    H1*    G   2           H1*        G   2  -7.722  -4.874 -11.429
   16    H8     G   2           H8         G   2 -11.185  -3.447 -10.439
   17    H1     G   2           H1         G   2  -6.734   0.857 -12.117
   18   1H2     G   2          1H2         G   2  -4.762  -1.911 -12.778
   19   2H2     G   2          2H2         G   2  -4.894  -0.167 -12.771
   20   1H2*    G   2          1H2*        G   2 -10.194  -5.290  -9.682
   21   2H2*    G   2          2H2*        G   2  -8.511  -5.640  -9.313
   22   1H5*    C   3          1H5*        C   3  -5.853  -7.683 -10.894
   23   2H5*    C   3          2H5*        C   3  -5.178  -9.180 -10.219
   24    H4*    C   3           H4*        C   3  -3.355  -7.765 -10.392
   25    H3*    C   3           H3*        C   3  -3.929  -8.605  -7.885
   26    H1*    C   3           H1*        C   3  -3.148  -4.840  -8.586
   27   1H4     C   3          1H4         C   3  -8.933  -1.770  -7.512
   28   2H4     C   3          2H4         C   3  -7.742  -0.553  -7.896
   29    H6     C   3           H6         C   3  -6.659  -5.806  -7.846
   30   1H2*    C   3          1H2*        C   3  -5.032  -6.667  -7.049
   31   2H2*    C   3          2H2*        C   3  -3.373  -6.224  -6.678
   32   1H5*    G   4          1H5*        G   4  -0.658  -6.142  -8.434
   33   2H5*    G   4          2H5*        G   4   1.058  -6.594  -8.350
   34    H4*    G   4           H4*        G   4   1.168  -4.436  -7.656
   35    H3*    G   4           H3*        G   4   1.409  -6.248  -5.492
   36    H1*    G   4           H1*        G   4  -0.209  -2.749  -5.618
   37    H8     G   4           H8         G   4  -2.698  -5.576  -4.663
   38    H1     G   4           H1         G   4  -4.849   0.437  -4.054
   39   1H2     G   4          1H2         G   4  -1.743   1.334  -5.293
   40   2H2     G   4          2H2         G   4  -3.308   1.861  -4.713
   41   1H2*    G   4          1H2*        G   4  -0.381  -5.447  -4.194
   42   2H2*    G   4          2H2*        G   4   0.701  -4.101  -3.869
   43   1H5*  DFC   5          1H5*      DFC   5   2.364  -3.913  -2.664
   44   2H5*  DFC   5          2H5*      DFC   5   3.914  -3.840  -1.802
   45    H4*  DFC   5           H4*      DFC   5   4.137  -1.550  -2.136
   46    H3*  DFC   5           H3*      DFC   5   3.142  -1.719  -4.629
   47   1H2*  DFC   5          1H2*      DFC   5   0.828  -1.997  -4.113
   48   2H2*  DFC   5          2H2*      DFC   5   0.909  -0.243  -4.195
   49    H1*  DFC   5           H1*      DFC   5   1.039   0.011  -1.834
   50   1H4   DFC   5          1H4       DFC   5  -3.823  -4.251  -0.419
   51   2H4   DFC   5          2H4       DFC   5  -4.515  -2.649  -0.356
   52    H5   DFC   5           H5       DFC   5  -1.530  -4.667  -1.070
   53    H6   DFC   5           H6       DFC   5   0.555  -3.631  -1.785
   54   1H5*  DFG   6          1H5*      DFG   6   6.184   1.797  -2.984
   55   2H5*  DFG   6          2H5*      DFG   6   5.568   0.315  -2.223
   56    H4*  DFG   6           H4*      DFG   6   8.259   0.511  -3.565
   57    H3*  DFG   6           H3*      DFG   6   7.908   1.974  -1.361
   58   1H2*  DFG   6          1H2*      DFG   6   6.969   0.297   0.068
   59   2H2*  DFG   6          2H2*      DFG   6   8.673   0.138   0.470
   60    H1*  DFG   6           H1*      DFG   6   8.976  -1.759  -0.939
   61    H8   DFG   6           H8       DFG   6   8.073  -4.156  -0.629
   62    H1   DFG   6           H1       DFG   6   2.469  -1.884   1.503
   63   1H2   DFG   6          1H2       DFG   6   3.714   1.201   0.547
   64   2H2   DFG   6          2H2       DFG   6   2.380   0.300   1.237
   65   1H5*    C   7          1H5*        C   7  11.004   4.088   1.072
   66   2H5*    C   7          2H5*        C   7  11.067   2.574   1.997
   67    H4*    C   7           H4*        C   7   9.030   4.745   1.987
   68    H3*    C   7           H3*        C   7  10.858   4.050   3.884
   69    H1*    C   7           H1*        C   7   7.165   3.084   4.111
   70   1H4     C   7          1H4         C   7   6.769  -3.522   3.618
   71   2H4     C   7          2H4         C   7   5.235  -2.935   4.211
   72    H6     C   7           H6         C   7   9.368   0.279   3.035
   73   1H2*    C   7          1H2*        C   7   9.967   1.891   4.422
   74   2H2*    C   7          2H2*        C   7   9.087   2.895   5.566
   75   1H5*    G   8          1H5*        G   8   7.353   6.850   5.198
   76   2H5*    G   8          2H5*        G   8   8.065   8.452   5.487
   77    H4*    G   8           H4*        G   8   6.366   8.415   7.017
   78    H3*    G   8           H3*        G   8   8.783   8.487   8.181
   79    H1*    G   8           H1*        G   8   6.194   5.755   9.396
   80    H8     G   8           H8         G   8   9.183   4.551   7.272
   81    H1     G   8           H1         G   8   5.088  -0.013   9.149
   82   1H2     G   8          1H2         G   8   3.232   2.615  10.436
   83   2H2     G   8          2H2         G   8   3.371   0.885  10.197
   84   1H2*    G   8          1H2*        G   8   9.106   6.189   8.687
   85   2H2*    G   8          2H2*        G   8   8.229   6.660  10.135
   86   1H5*    C   9          1H5*        C   9   5.493   8.461  11.317
   87   2H5*    C   9          2H5*        C   9   5.737   9.437  12.781
   88    H4*    C   9           H4*        C   9   5.027   7.287  13.465
   89    H3*    C   9           H3*        C   9   7.845   7.966  14.076
   90    H1*    C   9           H1*        C   9   5.892   4.611  13.407
   91   1H4     C   9          1H4         C   9  10.820   1.955   9.848
   92   2H4     C   9          2H4         C   9   9.695   0.678  10.245
   93    H6     C   9           H6         C   9   9.063   5.770  11.828
   94   1H2*    C   9          1H2*        C   9   8.528   5.748  14.276
   95   2H2*    C   9          2H2*        C   9   7.093   5.359  15.215
   96   1H5*    G  10          1H5*        G  10   5.119   5.636  16.837
   97   2H5*    G  10          2H5*        G  10   5.137   6.475  18.402
   98    H4*    G  10           H4*        G  10   4.841   4.238  18.942
   99    H3*    G  10           H3*        G  10   7.070   5.404  19.961
  100    H1*    G  10           H1*        G  10   7.178   1.872  18.373
  101    H8     G  10           H8         G  10   8.818   4.587  16.142
  102    H1     G  10           H1         G  10   9.531  -1.485  14.203
  103   1H2     G  10          1H2         G  10   7.552  -2.262  16.930
  104   2H2     G  10          2H2         G  10   8.450  -2.845  15.547
  105    H3T    G  10           H3T        G  10   6.019   2.792  20.289
  106   1H2*    G  10          1H2*        G  10   8.680   4.530  18.431
  107   2H2*    G  10          2H2*        G  10   8.681   3.245  19.631
  108   1H5*    C  11          1H5*        C  11  12.555  -9.277  12.505
  109   2H5*    C  11          2H5*        C  11  13.140  -7.913  13.478
  110    H4*    C  11           H4*        C  11  11.106  -9.306  14.921
  111    H3*    C  11           H3*        C  11  10.431  -9.717  12.333
  112    H1*    C  11           H1*        C  11   9.152  -6.561  14.236
  113   1H4     C  11          1H4         C  11  12.299  -1.496  11.326
  114   2H4     C  11          2H4         C  11  11.186  -0.829  12.495
  115    H6     C  11           H6         C  11  11.841  -6.100  11.709
  116   1H2*    C  11          1H2*        C  11  10.343  -7.457  11.580
  117   2H2*    C  11          2H2*        C  11   8.694  -7.627  12.165
  118   1H5*    G  12          1H5*        G  12   7.012  -7.878  14.615
  119   2H5*    G  12          2H5*        G  12   5.681  -9.051  14.658
  120    H4*    G  12           H4*        G  12   4.491  -7.141  14.474
  121    H3*    G  12           H3*        G  12   4.522  -8.508  12.051
  122    H1*    G  12           H1*        G  12   4.685  -4.697  12.537
  123    H8     G  12           H8         G  12   7.879  -6.106  10.851
  124    H1     G  12           H1         G  12   7.631   0.263  11.570
  125   1H2     G  12          1H2         G  12   4.636  -0.352  13.188
  126   2H2     G  12          2H2         G  12   5.802   0.836  12.648
  127   1H2*    G  12          1H2*        G  12   5.806  -6.949  10.801
  128   2H2*    G  12          2H2*        G  12   4.248  -6.144  10.678
  129   1H5*    C  13          1H5*        C  13   1.674  -5.238  13.027
  130   2H5*    C  13          2H5*        C  13   0.083  -6.013  13.186
  131    H4*    C  13           H4*        C  13  -0.552  -3.854  12.901
  132    H3*    C  13           H3*        C  13  -1.229  -5.324  10.759
  133    H1*    C  13           H1*        C  13   0.597  -1.920  10.229
  134   1H4     C  13          1H4         C  13   6.639  -3.554   8.053
  135   2H4     C  13          2H4         C  13   6.587  -1.818   8.224
  136    H6     C  13           H6         C  13   2.507  -5.026   9.572
  137   1H2*    C  13          1H2*        C  13   0.626  -4.826   9.335
  138   2H2*    C  13          2H2*        C  13  -0.470  -3.534   8.867
  139   1H5*    G  14          1H5*        G  14  -2.397  -1.303  10.438
  140   2H5*    G  14          2H5*        G  14  -4.044  -0.640  10.443
  141    H4*    G  14           H4*        G  14  -3.178   0.608   8.782
  142    H3*    G  14           H3*        G  14  -4.647  -1.572   7.677
  143    H1*    G  14           H1*        G  14  -1.439   0.210   6.406
  144    H8     G  14           H8         G  14  -1.130  -3.613   6.974
  145    H1     G  14           H1         G  14   3.973  -0.734   4.359
  146   1H2     G  14          1H2         G  14   2.138   2.176   4.751
  147   2H2     G  14          2H2         G  14   3.634   1.435   4.225
  148   1H2*    G  14          1H2*        G  14  -2.972  -2.424   6.278
  149   2H2*    G  14          2H2*        G  14  -3.214  -0.955   5.344
  150   1H5*  DFC  15          1H5*      DFC  15  -4.584  -0.528   3.825
  151   2H5*  DFC  15          2H5*      DFC  15  -5.953   0.101   2.886
  152    H4*  DFC  15           H4*      DFC  15  -4.811   1.995   2.227
  153    H3*  DFC  15           H3*      DFC  15  -3.745   2.306   4.685
  154   1H2*  DFC  15          1H2*      DFC  15  -2.030   0.650   4.581
  155   2H2*  DFC  15          2H2*      DFC  15  -1.151   2.026   3.933
  156    H1*  DFC  15           H1*      DFC  15  -1.459   1.351   1.674
  157   1H4   DFC  15          1H4       DFC  15   0.211  -4.974   2.699
  158   2H4   DFC  15          2H4       DFC  15   1.614  -4.172   2.031
  159    H5   DFC  15           H5       DFC  15  -1.849  -3.808   3.208
  160    H6   DFC  15           H6       DFC  15  -2.964  -1.640   3.197
  161   1H5*  DFG  16          1H5*      DFG  16  -4.588   6.191   1.599
  162   2H5*  DFG  16          2H5*      DFG  16  -4.921   4.467   1.331
  163    H4*  DFG  16           H4*      DFG  16  -6.933   6.478   2.341
  164    H3*  DFG  16           H3*      DFG  16  -6.136   6.650  -0.199
  165   1H2*  DFG  16          1H2*      DFG  16  -6.391   4.349  -0.830
  166   2H2*  DFG  16          2H2*      DFG  16  -7.952   4.995  -1.317
  167    H1*  DFG  16           H1*      DFG  16  -9.053   4.205   0.643
  168    H8   DFG  16           H8       DFG  16  -9.665   1.774   1.166
  169    H1   DFG  16           H1       DFG  16  -3.893  -0.255  -0.759
  170   1H2   DFG  16          1H2       DFG  16  -3.135   3.114  -0.993
  171   2H2   DFG  16          2H2       DFG  16  -2.581   1.464  -1.177
  172   1H5*    C  17          1H5*        C  17  -7.842   9.122  -3.553
  173   2H5*    C  17          2H5*        C  17  -8.550   7.520  -3.849
  174    H4*    C  17           H4*        C  17  -5.727   8.459  -4.152
  175    H3*    C  17           H3*        C  17  -7.563   8.069  -6.081
  176    H1*    C  17           H1*        C  17  -5.021   5.293  -5.226
  177   1H4     C  17          1H4         C  17  -8.420   0.446  -2.229
  178   2H4     C  17          2H4         C  17  -6.877  -0.203  -2.729
  179    H6     C  17           H6         C  17  -8.358   4.881  -3.614
  180   1H2*    C  17          1H2*        C  17  -8.007   5.746  -5.685
  181   2H2*    C  17          2H2*        C  17  -6.727   5.631  -6.883
  182   1H5*    G  18          1H5*        G  18  -3.371   7.681  -7.009
  183   2H5*    G  18          2H5*        G  18  -2.588   9.071  -7.790
  184    H4*    G  18           H4*        G  18  -1.261   7.397  -8.544
  185    H3*    G  18           H3*        G  18  -2.751   8.408 -10.555
  186    H1*    G  18           H1*        G  18  -2.464   4.544 -10.074
  187    H8     G  18           H8         G  18  -5.887   6.043  -9.066
  188    H1     G  18           H1         G  18  -5.409  -0.346  -8.755
  189   1H2     G  18          1H2         G  18  -2.112   0.166  -9.662
  190   2H2     G  18          2H2         G  18  -3.362  -0.986  -9.244
  191   1H2*    G  18          1H2*        G  18  -4.472   6.759 -10.646
  192   2H2*    G  18          2H2*        G  18  -3.302   6.018 -11.730
  193   1H5*    C  19          1H5*        C  19  -0.099   5.184 -12.124
  194   2H5*    C  19          2H5*        C  19   0.947   5.623 -13.491
  195    H4*    C  19           H4*        C  19   0.135   3.551 -14.090
  196    H3*    C  19           H3*        C  19  -0.810   5.687 -15.653
  197    H1*    C  19           H1*        C  19  -2.653   2.481 -14.608
  198   1H4     C  19          1H4         C  19  -8.172   4.468 -11.505
  199   2H4     C  19          2H4         C  19  -8.173   2.721 -11.525
  200    H6     C  19           H6         C  19  -4.177   5.693 -13.522
  201   1H2*    C  19          1H2*        C  19  -3.110   5.452 -15.174
  202   2H2*    C  19          2H2*        C  19  -2.990   4.128 -16.322
  203   1H5*    G  20          1H5*        G  20  -0.388   1.425 -17.778
  204   2H5*    G  20          2H5*        G  20   0.388   1.764 -19.339
  205    H4*    G  20           H4*        G  20  -1.053  -0.043 -19.710
  206    H3*    G  20           H3*        G  20  -1.421   2.166 -21.242
  207    H1*    G  20           H1*        G  20  -4.416   0.296 -19.638
  208    H8     G  20           H8         G  20  -3.843   3.822 -18.188
  209    H1     G  20           H1         G  20  -8.626   0.469 -15.540
  210   1H2     G  20          1H2         G  20  -7.520  -2.116 -17.567
  211   2H2     G  20          2H2         G  20  -8.673  -1.571 -16.370
  212    H3T    G  20           H3T        G  20  -1.833   0.597 -22.543
  213   1H2*    G  20          1H2*        G  20  -3.302   3.098 -20.111
  214   2H2*    G  20          2H2*        G  20  -4.134   2.041 -21.245
  215   1HC   CH3   1          1HC       CH3   1 -12.886   2.526 -13.153
  216   2HC   CH3   1          2HC       CH3   1 -12.007   2.156 -11.651
  217   3HC   CH3   1          3HC       CH3   1 -13.562   1.360 -11.991
  218   1HC   CH3   3          1HC       CH3   3  -9.395  -3.794  -7.812
  219   2HC   CH3   3          2HC       CH3   3  -8.632  -3.680  -6.208
  220   3HC   CH3   3          3HC       CH3   3  -8.654  -5.233  -7.075
  221   1HC   CH3   7          1HC       CH3   7   8.977  -2.934   3.611
  222   2HC   CH3   7          2HC       CH3   7   9.553  -1.820   2.350
  223   3HC   CH3   7          3HC       CH3   7   8.057  -2.748   2.100
  224   1HC   CH3   9          1HC       CH3   9  10.895   5.352  10.661
  225   2HC   CH3   9          2HC       CH3   9  10.825   4.013   9.490
  226   3HC   CH3   9          3HC       CH3   9  11.586   3.767  11.080
  227   1HC   CH3  11          1HC       CH3  11  13.681  -3.361  11.460
  228   2HC   CH3  11          2HC       CH3  11  12.542  -3.171  10.106
  229   3HC   CH3  11          3HC       CH3  11  13.165  -4.784  10.524
  230   1HC   CH3  13          1HC       CH3  13   5.765  -5.360   8.776
  231   2HC   CH3  13          2HC       CH3  13   4.943  -4.903   7.265
  232   3HC   CH3  13          3HC       CH3  13   4.136  -5.985   8.426
  233   1HC   CH3  17          1HC       CH3  17  -9.856   3.598  -2.562
  234   2HC   CH3  17          2HC       CH3  17  -9.886   2.050  -3.437
  235   3HC   CH3  17          3HC       CH3  17  -9.329   2.107  -1.748
  236   1HC   CH3  19          1HC       CH3  19  -7.437   5.997 -13.150
  237   2HC   CH3  19          2HC       CH3  19  -6.887   6.062 -11.459
  238   3HC   CH3  19          3HC       CH3  19  -5.915   6.824 -12.739
  Start of MODEL    7
    1   1H5*    C   1          1H5*        C   1 -15.900  -1.739 -14.421
    2   2H5*    C   1          2H5*        C   1 -15.461  -1.649 -16.137
    3    H4*    C   1           H4*        C   1 -15.161  -4.279 -15.737
    4    H3*    C   1           H3*        C   1 -15.575  -3.725 -13.139
    5    H1*    C   1           H1*        C   1 -11.889  -3.666 -14.535
    6   1H4     C   1          1H4         C   1 -10.436   2.808 -14.431
    7   2H4     C   1          2H4         C   1  -8.994   1.945 -14.903
    8    H6     C   1           H6         C   1 -13.683  -0.468 -13.900
    9   1H2*    C   1          1H2*        C   1 -13.822  -2.166 -12.740
   10   2H2*    C   1          2H2*        C   1 -12.938  -3.653 -12.429
   11   1H5*    G   2          1H5*        G   2 -11.794  -5.922 -13.472
   12   2H5*    G   2          2H5*        G   2 -11.800  -7.448 -12.562
   13    H4*    G   2           H4*        G   2  -9.718  -6.665 -12.087
   14    H3*    G   2           H3*        G   2 -11.512  -6.308  -9.894
   15    H1*    G   2           H1*        G   2  -8.491  -4.205 -11.087
   16    H8     G   2           H8         G   2 -11.831  -2.247 -10.813
   17    H1     G   2           H1         G   2  -6.627   1.205 -12.280
   18   1H2     G   2          1H2         G   2  -4.986  -1.841 -12.243
   19   2H2     G   2          2H2         G   2  -4.873  -0.111 -12.482
   20   1H2*    G   2          1H2*        G   2 -11.115  -4.021  -9.541
   21   2H2*    G   2          2H2*        G   2  -9.532  -4.539  -8.979
   22   1H5*    C   3          1H5*        C   3  -7.266  -7.531  -9.769
   23   2H5*    C   3          2H5*        C   3  -6.819  -8.750  -8.557
   24    H4*    C   3           H4*        C   3  -4.882  -7.494  -9.171
   25    H3*    C   3           H3*        C   3  -5.518  -7.874  -6.552
   26    H1*    C   3           H1*        C   3  -4.348  -4.447  -7.912
   27   1H4     C   3          1H4         C   3  -9.571  -0.390  -7.323
   28   2H4     C   3          2H4         C   3  -8.183   0.579  -7.752
   29    H6     C   3           H6         C   3  -7.983  -4.753  -7.159
   30   1H2*    C   3          1H2*        C   3  -6.431  -5.723  -6.080
   31   2H2*    C   3          2H2*        C   3  -4.737  -5.400  -5.749
   32   1H5*    G   4          1H5*        G   4  -1.157  -6.775  -7.649
   33   2H5*    G   4          2H5*        G   4   0.069  -7.600  -6.665
   34    H4*    G   4           H4*        G   4   0.779  -5.364  -7.298
   35    H3*    G   4           H3*        G   4   1.113  -6.363  -4.797
   36    H1*    G   4           H1*        G   4  -0.313  -2.782  -5.362
   37    H8     G   4           H8         G   4  -2.971  -5.390  -4.281
   38    H1     G   4           H1         G   4  -4.880   0.735  -4.304
   39   1H2     G   4          1H2         G   4  -1.682   1.404  -5.459
   40   2H2     G   4          2H2         G   4  -3.244   2.043  -4.993
   41   1H2*    G   4          1H2*        G   4  -0.716  -5.306  -3.702
   42   2H2*    G   4          2H2*        G   4   0.493  -4.044  -3.513
   43   1H5*  DFC   5          1H5*      DFC   5   2.276  -3.875  -2.423
   44   2H5*  DFC   5          2H5*      DFC   5   3.910  -3.737  -1.742
   45    H4*  DFC   5           H4*      DFC   5   4.012  -1.472  -2.062
   46    H3*  DFC   5           H3*      DFC   5   2.999  -1.731  -4.553
   47   1H2*  DFC   5          1H2*      DFC   5   0.686  -1.921  -4.038
   48   2H2*  DFC   5          2H2*      DFC   5   0.808  -0.171  -4.122
   49    H1*  DFC   5           H1*      DFC   5   0.934   0.088  -1.771
   50   1H4   DFC   5          1H4       DFC   5  -3.949  -4.099  -0.226
   51   2H4   DFC   5          2H4       DFC   5  -4.673  -2.510  -0.357
   52    H5   DFC   5           H5       DFC   5  -1.626  -4.528  -0.758
   53    H6   DFC   5           H6       DFC   5   0.469  -3.519  -1.493
   54   1H5*  DFG   6          1H5*      DFG   6   5.659   2.126  -2.912
   55   2H5*  DFG   6          2H5*      DFG   6   5.262   0.559  -2.175
   56    H4*  DFG   6           H4*      DFG   6   7.987   1.216  -3.275
   57    H3*  DFG   6           H3*      DFG   6   7.160   2.685  -1.215
   58   1H2*  DFG   6          1H2*      DFG   6   6.418   0.995   0.285
   59   2H2*  DFG   6          2H2*      DFG   6   8.105   1.068   0.774
   60    H1*  DFG   6           H1*      DFG   6   8.695  -0.877  -0.379
   61    H8   DFG   6           H8       DFG   6   7.878  -3.372  -0.323
   62    H1   DFG   6           H1       DFG   6   2.052  -1.394   1.486
   63   1H2   DFG   6          1H2       DFG   6   3.218   1.764   0.707
   64   2H2   DFG   6          2H2       DFG   6   1.886   0.785   1.281
   65   1H5*    C   7          1H5*        C   7   7.781   2.899   1.533
   66   2H5*    C   7          2H5*        C   7   6.619   3.658   0.431
   67    H4*    C   7           H4*        C   7   7.156   5.846   1.417
   68    H3*    C   7           H3*        C   7   9.443   4.896   2.472
   69    H1*    C   7           H1*        C   7   6.123   4.315   4.861
   70   1H4     C   7          1H4         C   7   6.494  -2.086   3.240
   71   2H4     C   7          2H4         C   7   4.840  -1.786   3.704
   72    H6     C   7           H6         C   7   8.524   2.093   3.295
   73   1H2*    C   7          1H2*        C   7   8.856   3.572   4.302
   74   2H2*    C   7          2H2*        C   7   8.252   5.031   5.071
   75   1H5*    G   8          1H5*        G   8   6.899   6.963   5.074
   76   2H5*    G   8          2H5*        G   8   7.463   8.512   5.732
   77    H4*    G   8           H4*        G   8   6.145   7.673   7.421
   78    H3*    G   8           H3*        G   8   8.789   7.926   8.073
   79    H1*    G   8           H1*        G   8   6.641   4.896   9.096
   80    H8     G   8           H8         G   8   9.586   3.911   6.841
   81    H1     G   8           H1         G   8   5.446  -0.807   8.176
   82   1H2     G   8          1H2         G   8   3.547   1.689   9.633
   83   2H2     G   8          2H2         G   8   3.693  -0.008   9.232
   84   1H2*    G   8          1H2*        G   8   9.396   5.621   7.990
   85   2H2*    G   8          2H2*        G   8   8.829   5.712   9.651
   86   1H5*    C   9          1H5*        C   9   5.731   7.574  11.360
   87   2H5*    C   9          2H5*        C   9   5.858   8.688  12.737
   88    H4*    C   9           H4*        C   9   5.035   6.596  13.524
   89    H3*    C   9           H3*        C   9   7.314   7.725  14.663
   90    H1*    C   9           H1*        C   9   6.617   4.019  14.052
   91   1H4     C   9          1H4         C   9  11.413   1.732  10.071
   92   2H4     C   9          2H4         C   9  10.477   0.365  10.625
   93    H6     C   9           H6         C   9   9.375   5.437  11.987
   94   1H2*    C   9          1H2*        C   9   8.873   6.086  13.939
   95   2H2*    C   9          2H2*        C   9   8.249   5.245  15.350
   96   1H5*    G  10          1H5*        G  10   4.567   4.952  17.171
   97   2H5*    G  10          2H5*        G  10   4.275   5.672  18.767
   98    H4*    G  10           H4*        G  10   4.174   3.366  19.099
   99    H3*    G  10           H3*        G  10   6.024   4.716  20.553
  100    H1*    G  10           H1*        G  10   6.874   1.365  18.813
  101    H8     G  10           H8         G  10   8.644   4.405  17.211
  102    H1     G  10           H1         G  10  10.017  -1.311  14.646
  103   1H2     G  10          1H2         G  10   7.634  -2.525  16.842
  104   2H2     G  10          2H2         G  10   8.791  -2.880  15.581
  105    H3T    G  10           H3T        G  10   5.590   1.909  20.630
  106   1H2*    G  10          1H2*        G  10   7.965   4.180  19.271
  107   2H2*    G  10          2H2*        G  10   7.953   2.817  20.382
  108   1H5*    C  11          1H5*        C  11  14.274  -8.988  13.051
  109   2H5*    C  11          2H5*        C  11  13.788  -7.493  12.227
  110    H4*    C  11           H4*        C  11  12.424  -8.999  14.422
  111    H3*    C  11           H3*        C  11  11.836  -9.074  11.812
  112    H1*    C  11           H1*        C  11  10.023  -6.349  14.039
  113   1H4     C  11          1H4         C  11  13.041  -0.782  12.059
  114   2H4     C  11          2H4         C  11  11.773  -0.340  13.175
  115    H6     C  11           H6         C  11  12.896  -5.420  11.866
  116   1H2*    C  11          1H2*        C  11  11.410  -6.774  11.381
  117   2H2*    C  11          2H2*        C  11   9.798  -7.257  11.889
  118   1H5*    G  12          1H5*        G  12   8.121  -8.355  14.225
  119   2H5*    G  12          2H5*        G  12   6.970  -9.690  14.009
  120    H4*    G  12           H4*        G  12   5.583  -7.878  14.191
  121    H3*    G  12           H3*        G  12   5.548  -9.029  11.700
  122    H1*    G  12           H1*        G  12   5.493  -5.231  12.313
  123    H8     G  12           H8         G  12   8.598  -6.338  10.329
  124    H1     G  12           H1         G  12   8.447  -0.148  12.007
  125   1H2     G  12          1H2         G  12   5.613  -1.020  13.793
  126   2H2     G  12          2H2         G  12   6.724   0.243  13.318
  127   1H2*    G  12          1H2*        G  12   6.771  -7.354  10.524
  128   2H2*    G  12          2H2*        G  12   5.160  -6.660  10.414
  129   1H5*    C  13          1H5*        C  13   1.749  -6.215  12.800
  130   2H5*    C  13          2H5*        C  13   0.368  -7.146  12.184
  131    H4*    C  13           H4*        C  13  -0.090  -4.794  12.031
  132    H3*    C  13           H3*        C  13  -0.505  -6.466   9.908
  133    H1*    C  13           H1*        C  13   1.161  -2.975   9.533
  134   1H4     C  13          1H4         C  13   7.347  -4.256   7.506
  135   2H4     C  13          2H4         C  13   7.151  -2.521   7.562
  136    H6     C  13           H6         C  13   3.311  -5.966   9.028
  137   1H2*    C  13          1H2*        C  13   1.365  -5.862   8.571
  138   2H2*    C  13          2H2*        C  13   0.250  -4.606   8.055
  139   1H5*    G  14          1H5*        G  14  -3.169  -2.402  10.032
  140   2H5*    G  14          2H5*        G  14  -4.731  -2.879   9.337
  141    H4*    G  14           H4*        G  14  -4.173  -0.548   8.866
  142    H3*    G  14           H3*        G  14  -5.272  -2.224   7.035
  143    H1*    G  14           H1*        G  14  -2.245   0.043   6.142
  144    H8     G  14           H8         G  14  -1.317  -3.705   6.516
  145    H1     G  14           H1         G  14   3.305   0.143   4.283
  146   1H2     G  14          1H2         G  14   0.969   2.668   4.735
  147   2H2     G  14          2H2         G  14   2.592   2.237   4.235
  148   1H2*    G  14          1H2*        G  14  -3.309  -2.797   5.811
  149   2H2*    G  14          2H2*        G  14  -3.772  -1.339   4.943
  150   1H5*  DFC  15          1H5*      DFC  15  -5.163  -0.609   3.562
  151   2H5*  DFC  15          2H5*      DFC  15  -6.604   0.026   2.742
  152    H4*  DFC  15           H4*      DFC  15  -5.581   1.978   2.134
  153    H3*  DFC  15           H3*      DFC  15  -4.541   2.254   4.613
  154   1H2*  DFC  15          1H2*      DFC  15  -2.655   0.821   4.444
  155   2H2*  DFC  15          2H2*      DFC  15  -1.936   2.288   3.798
  156    H1*  DFC  15           H1*      DFC  15  -2.170   1.607   1.552
  157   1H4   DFC  15          1H4       DFC  15  -0.125  -4.634   2.367
  158   2H4   DFC  15          2H4       DFC  15   1.297  -3.688   1.988
  159    H5   DFC  15           H5       DFC  15  -2.308  -3.636   2.697
  160    H6   DFC  15           H6       DFC  15  -3.559  -1.545   2.720
  161   1H5*  DFG  16          1H5*      DFG  16  -5.226   6.196   1.442
  162   2H5*  DFG  16          2H5*      DFG  16  -5.503   4.451   1.249
  163    H4*  DFG  16           H4*      DFG  16  -7.699   6.436   1.816
  164    H3*  DFG  16           H3*      DFG  16  -6.439   6.653  -0.536
  165   1H2*  DFG  16          1H2*      DFG  16  -6.557   4.362  -1.234
  166   2H2*  DFG  16          2H2*      DFG  16  -8.016   5.000  -1.977
  167    H1*  DFG  16           H1*      DFG  16  -9.431   4.185  -0.236
  168    H8   DFG  16           H8       DFG  16 -10.084   1.749   0.339
  169    H1   DFG  16           H1       DFG  16  -4.190  -0.274  -1.181
  170   1H2   DFG  16          1H2       DFG  16  -3.420   3.089  -1.383
  171   2H2   DFG  16          2H2       DFG  16  -2.858   1.437  -1.518
  172   1H5*    C  17          1H5*        C  17  -7.161   9.574  -3.669
  173   2H5*    C  17          2H5*        C  17  -8.103   8.260  -4.403
  174    H4*    C  17           H4*        C  17  -5.180   8.694  -4.270
  175    H3*    C  17           H3*        C  17  -6.844   8.645  -6.389
  176    H1*    C  17           H1*        C  17  -4.705   5.584  -5.507
  177   1H4     C  17          1H4         C  17  -8.784   0.828  -3.318
  178   2H4     C  17          2H4         C  17  -7.188   0.140  -3.476
  179    H6     C  17           H6         C  17  -8.292   5.283  -4.543
  180   1H2*    C  17          1H2*        C  17  -7.585   6.368  -6.176
  181   2H2*    C  17          2H2*        C  17  -6.233   6.181  -7.281
  182   1H5*    G  18          1H5*        G  18  -2.547   7.910  -6.978
  183   2H5*    G  18          2H5*        G  18  -1.640   9.166  -7.848
  184    H4*    G  18           H4*        G  18  -0.457   7.269  -8.355
  185    H3*    G  18           H3*        G  18  -1.605   8.399 -10.512
  186    H1*    G  18           H1*        G  18  -1.977   4.534  -9.924
  187    H8     G  18           H8         G  18  -5.159   6.644  -9.354
  188    H1     G  18           H1         G  18  -5.800   0.327  -8.455
  189   1H2     G  18          1H2         G  18  -2.395   0.214  -9.048
  190   2H2     G  18          2H2         G  18  -3.852  -0.680  -8.672
  191   1H2*    G  18          1H2*        G  18  -3.530   7.017 -10.735
  192   2H2*    G  18          2H2*        G  18  -2.391   6.064 -11.676
  193   1H5*    C  19          1H5*        C  19   0.803   4.670 -11.640
  194   2H5*    C  19          2H5*        C  19   1.852   4.897 -13.055
  195    H4*    C  19           H4*        C  19   0.864   2.765 -13.249
  196    H3*    C  19           H3*        C  19   0.430   4.645 -15.281
  197    H1*    C  19           H1*        C  19  -1.968   1.964 -13.966
  198   1H4     C  19          1H4         C  19  -7.457   5.104 -11.949
  199   2H4     C  19          2H4         C  19  -7.739   3.385 -11.805
  200    H6     C  19           H6         C  19  -3.091   5.484 -13.481
  201   1H2*    C  19          1H2*        C  19  -1.920   4.825 -15.053
  202   2H2*    C  19          2H2*        C  19  -1.886   3.320 -15.958
  203   1H5*    G  20          1H5*        G  20   0.737   0.068 -16.116
  204   2H5*    G  20          2H5*        G  20   1.659  -0.149 -17.618
  205    H4*    G  20           H4*        G  20   0.275  -2.034 -17.396
  206    H3*    G  20           H3*        G  20   0.089  -0.594 -19.689
  207    H1*    G  20           H1*        G  20  -3.056  -1.865 -17.828
  208    H8     G  20           H8         G  20  -2.476   1.941 -17.338
  209    H1     G  20           H1         G  20  -8.155  -0.336 -15.412
  210   1H2     G  20          1H2         G  20  -6.908  -3.408 -16.397
  211   2H2     G  20          2H2         G  20  -8.244  -2.511 -15.711
  212    H3T    G  20           H3T        G  20  -1.239  -2.974 -18.901
  213   1H2*    G  20          1H2*        G  20  -1.916   0.609 -19.207
  214   2H2*    G  20          2H2*        G  20  -2.601  -0.834 -19.942
  215   1HC   CH3   1          1HC       CH3   1 -12.674   2.446 -15.062
  216   2HC   CH3   1          2HC       CH3   1 -12.179   2.559 -13.356
  217   3HC   CH3   1          3HC       CH3   1 -13.700   1.743 -13.790
  218   1HC   CH3   3          1HC       CH3   3  -9.913  -3.807  -6.643
  219   2HC   CH3   3          2HC       CH3   3 -10.342  -2.339  -7.552
  220   3HC   CH3   3          3HC       CH3   3  -9.707  -2.206  -5.894
  221   1HC   CH3   7          1HC       CH3   7   9.243   0.030   2.870
  222   2HC   CH3   7          2HC       CH3   7   8.068  -1.225   2.407
  223   3HC   CH3   7          3HC       CH3   7   8.548  -1.043   4.112
  224   1HC   CH3   9          1HC       CH3   9  11.967   3.691  10.672
  225   2HC   CH3   9          2HC       CH3   9  11.001   5.177  10.516
  226   3HC   CH3   9          3HC       CH3   9  10.721   3.813   9.408
  227   1HC   CH3  11          1HC       CH3  11  13.544  -2.307  10.678
  228   2HC   CH3  11          2HC       CH3  11  14.262  -3.897  11.032
  229   3HC   CH3  11          3HC       CH3  11  14.530  -2.533  12.143
  230   1HC   CH3  13          1HC       CH3  13   5.113  -6.875   8.119
  231   2HC   CH3  13          2HC       CH3  13   6.652  -6.007   8.320
  232   3HC   CH3  13          3HC       CH3  13   5.744  -5.867   6.796
  233   1HC   CH3  17          1HC       CH3  17  -9.927   4.125  -3.601
  234   2HC   CH3  17          2HC       CH3  17 -10.025   2.487  -4.291
  235   3HC   CH3  17          3HC       CH3  17  -9.472   2.716  -2.615
  236   1HC   CH3  19          1HC       CH3  19  -4.698   6.945 -13.033
  237   2HC   CH3  19          2HC       CH3  19  -6.266   6.326 -13.602
  238   3HC   CH3  19          3HC       CH3  19  -5.947   6.475 -11.857
  Start of MODEL    8
    1   1H5*    C   1          1H5*        C   1 -14.409  -5.769  -5.648
    2   2H5*    C   1          2H5*        C   1 -15.321  -5.724  -7.169
    3    H4*    C   1           H4*        C   1 -14.175  -8.199  -7.259
    4    H3*    C   1           H3*        C   1 -12.679  -7.248  -5.232
    5    H1*    C   1           H1*        C   1 -11.458  -6.765  -8.919
    6   1H4     C   1          1H4         C   1 -12.173  -0.254  -9.992
    7   2H4     C   1          2H4         C   1 -11.249  -0.918 -11.317
    8    H6     C   1           H6         C   1 -13.103  -3.877  -7.238
    9   1H2*    C   1          1H2*        C   1 -11.775  -5.301  -6.272
   10   2H2*    C   1          2H2*        C   1 -10.557  -6.476  -6.748
   11   1H5*    G   2          1H5*        G   2  -9.873  -8.476  -8.434
   12   2H5*    G   2          2H5*        G   2  -9.010  -9.923  -7.870
   13    H4*    G   2           H4*        G   2  -7.309  -8.896  -8.928
   14    H3*    G   2           H3*        G   2  -6.997  -8.618  -6.208
   15    H1*    G   2           H1*        G   2  -6.259  -5.897  -8.785
   16    H8     G   2           H8         G   2  -9.095  -4.804  -6.402
   17    H1     G   2           H1         G   2  -7.577  -0.661 -11.059
   18   1H2     G   2          1H2         G   2  -5.460  -3.164 -12.157
   19   2H2     G   2          2H2         G   2  -6.087  -1.550 -12.411
   20   1H2*    G   2          1H2*        G   2  -7.574  -6.305  -6.052
   21   2H2*    G   2          2H2*        G   2  -5.861  -6.158  -6.416
   22   1H5*    C   3          1H5*        C   3  -3.196  -8.114  -9.064
   23   2H5*    C   3          2H5*        C   3  -1.820  -8.814  -8.188
   24    H4*    C   3           H4*        C   3  -1.037  -7.085  -9.637
   25    H3*    C   3           H3*        C   3  -0.318  -7.119  -6.998
   26    H1*    C   3           H1*        C   3  -1.316  -3.903  -8.879
   27   1H4     C   3          1H4         C   3  -6.853  -1.685  -5.976
   28   2H4     C   3          2H4         C   3  -6.358  -0.500  -7.160
   29    H6     C   3           H6         C   3  -3.751  -5.121  -6.338
   30   1H2*    C   3          1H2*        C   3  -1.722  -5.355  -6.222
   31   2H2*    C   3          2H2*        C   3  -0.338  -4.407  -6.750
   32   1H5*    G   4          1H5*        G   4   1.528  -2.820  -8.817
   33   2H5*    G   4          2H5*        G   4   3.132  -3.583  -8.841
   34    H4*    G   4           H4*        G   4   3.739  -1.539  -8.115
   35    H3*    G   4           H3*        G   4   3.879  -3.291  -6.058
   36    H1*    G   4           H1*        G   4   2.178   0.184  -5.594
   37    H8     G   4           H8         G   4  -0.192  -2.800  -5.196
   38    H1     G   4           H1         G   4  -3.038   2.946  -5.308
   39   1H2     G   4          1H2         G   4   0.105   4.153  -6.104
   40   2H2     G   4          2H2         G   4  -1.581   4.510  -5.805
   41   1H2*    G   4          1H2*        G   4   1.826  -2.778  -4.965
   42   2H2*    G   4          2H2*        G   4   2.872  -1.603  -4.181
   43   1H5*  DFC   5          1H5*      DFC   5   4.815  -1.467  -3.194
   44   2H5*  DFC   5          2H5*      DFC   5   6.300  -1.667  -2.240
   45    H4*  DFC   5           H4*      DFC   5   6.634   0.602  -2.026
   46    H3*  DFC   5           H3*      DFC   5   5.992   1.015  -4.607
   47   1H2*  DFC   5          1H2*      DFC   5   3.620   0.851  -4.463
   48   2H2*  DFC   5          2H2*      DFC   5   3.814   2.570  -4.151
   49    H1*  DFC   5           H1*      DFC   5   3.605   2.322  -1.800
   50   1H4   DFC   5          1H4       DFC   5  -1.597  -1.742  -1.800
   51   2H4   DFC   5          2H4       DFC   5  -2.259  -0.139  -2.018
   52    H5   DFC   5           H5       DFC   5   0.777  -2.193  -1.767
   53    H6   DFC   5           H6       DFC   5   2.996  -1.200  -1.949
   54   1H5*  DFG   6          1H5*      DFG   6   9.018   4.048  -1.840
   55   2H5*  DFG   6          2H5*      DFG   6   7.941   2.676  -1.498
   56    H4*  DFG   6           H4*      DFG   6  10.861   2.335  -2.138
   57    H3*  DFG   6           H3*      DFG   6  10.283   3.710   0.096
   58   1H2*  DFG   6          1H2*      DFG   6   8.749   2.159   1.087
   59   2H2*  DFG   6          2H2*      DFG   6  10.257   1.631   1.818
   60    H1*  DFG   6           H1*      DFG   6  10.556  -0.150   0.242
   61    H8   DFG   6           H8       DFG   6   9.303  -2.367   0.300
   62    H1   DFG   6           H1       DFG   6   3.688   0.596   1.202
   63   1H2   DFG   6          1H2       DFG   6   5.521   3.508   0.738
   64   2H2   DFG   6          2H2       DFG   6   3.952   2.792   1.050
   65   1H5*    C   7          1H5*        C   7  13.071   4.535   3.681
   66   2H5*    C   7          2H5*        C   7  12.066   3.145   4.140
   67    H4*    C   7           H4*        C   7  11.214   5.990   3.637
   68    H3*    C   7           H3*        C   7  12.026   5.066   6.010
   69    H1*    C   7           H1*        C   7   8.210   4.716   5.104
   70   1H4     C   7          1H4         C   7   7.560  -1.761   3.821
   71   2H4     C   7          2H4         C   7   5.959  -1.087   4.017
   72    H6     C   7           H6         C   7  10.457   1.815   4.444
   73   1H2*    C   7          1H2*        C   7  10.566   3.194   6.260
   74   2H2*    C   7          2H2*        C   7   9.572   4.440   7.004
   75   1H5*    G   8          1H5*        G   8   7.898   7.202   7.616
   76   2H5*    G   8          2H5*        G   8   8.731   8.331   8.706
   77    H4*    G   8           H4*        G   8   7.062   7.473  10.030
   78    H3*    G   8           H3*        G   8   9.594   6.808  10.847
   79    H1*    G   8           H1*        G   8   6.618   4.347  10.881
   80    H8     G   8           H8         G   8   9.487   3.193   8.599
   81    H1     G   8           H1         G   8   4.162  -0.375   8.348
   82   1H2     G   8          1H2         G   8   2.801   2.078  10.379
   83   2H2     G   8          2H2         G   8   2.557   0.571   9.520
   84   1H2*    G   8          1H2*        G   8   9.592   4.517  10.198
   85   2H2*    G   8          2H2*        G   8   8.841   4.359  11.779
   86   1H5*    C   9          1H5*        C   9   6.096   6.720  13.626
   87   2H5*    C   9          2H5*        C   9   6.277   7.188  15.330
   88    H4*    C   9           H4*        C   9   4.603   5.468  15.101
   89    H3*    C   9           H3*        C   9   6.741   5.237  16.904
   90    H1*    C   9           H1*        C   9   5.062   2.441  14.833
   91   1H4     C   9          1H4         C   9   9.968  -0.161  11.191
   92   2H4     C   9          2H4         C   9   8.614  -1.262  11.133
   93    H6     C   9           H6         C   9   8.547   3.344  13.880
   94   1H2*    C   9          1H2*        C   9   7.750   3.305  15.997
   95   2H2*    C   9          2H2*        C   9   6.415   2.489  16.799
   96   1H5*    G  10          1H5*        G  10   2.924   2.564  17.650
   97   2H5*    G  10          2H5*        G  10   2.442   2.998  19.303
   98    H4*    G  10           H4*        G  10   1.762   0.806  19.111
   99    H3*    G  10           H3*        G  10   3.663   1.216  20.999
  100    H1*    G  10           H1*        G  10   3.861  -1.778  18.555
  101    H8     G  10           H8         G  10   6.591   0.880  17.916
  102    H1     G  10           H1         G  10   6.713  -4.253  14.070
  103   1H2     G  10          1H2         G  10   3.810  -5.164  15.723
  104   2H2     G  10          2H2         G  10   4.986  -5.559  14.490
  105    H3T    G  10           H3T        G  10   2.269  -1.133  20.245
  106   1H2*    G  10          1H2*        G  10   5.565   0.440  19.779
  107   2H2*    G  10          2H2*        G  10   5.043  -1.069  20.515
  108   1H5*    C  11          1H5*        C  11   8.934 -11.015  10.172
  109   2H5*    C  11          2H5*        C  11   9.389 -10.604  11.837
  110    H4*    C  11           H4*        C  11   7.051 -12.123  12.045
  111    H3*    C  11           H3*        C  11   6.800 -11.341   9.498
  112    H1*    C  11           H1*        C  11   5.526  -8.863  12.320
  113   1H4     C  11          1H4         C  11  10.227  -4.183  12.131
  114   2H4     C  11          2H4         C  11   8.949  -3.617  13.177
  115    H6     C  11           H6         C  11   8.861  -8.396  10.733
  116   1H2*    C  11          1H2*        C  11   7.062  -8.988   9.717
  117   2H2*    C  11          2H2*        C  11   5.330  -9.091   9.998
  118   1H5*    G  12          1H5*        G  12   3.239  -9.750  11.608
  119   2H5*    G  12          2H5*        G  12   1.743 -10.379  10.887
  120    H4*    G  12           H4*        G  12   1.190  -8.195  11.159
  121    H3*    G  12           H3*        G  12   1.807  -8.785   8.443
  122    H1*    G  12           H1*        G  12   2.380  -5.546  10.500
  123    H8     G  12           H8         G  12   5.546  -7.051   8.847
  124    H1     G  12           H1         G  12   6.357  -1.515  11.987
  125   1H2     G  12          1H2         G  12   3.016  -1.854  12.811
  126   2H2     G  12          2H2         G  12   4.477  -0.899  12.943
  127   1H2*    G  12          1H2*        G  12   3.420  -7.113   8.102
  128   2H2*    G  12          2H2*        G  12   2.062  -6.002   8.202
  129   1H5*    C  13          1H5*        C  13  -1.408  -6.131   9.965
  130   2H5*    C  13          2H5*        C  13  -2.924  -6.063   9.044
  131    H4*    C  13           H4*        C  13  -2.631  -4.048  10.322
  132    H3*    C  13           H3*        C  13  -3.333  -3.979   7.695
  133    H1*    C  13           H1*        C  13  -0.583  -1.624   9.139
  134   1H4     C  13          1H4         C  13   5.025  -3.685   6.250
  135   2H4     C  13          2H4         C  13   5.370  -2.188   7.077
  136    H6     C  13           H6         C  13   0.537  -4.525   7.089
  137   1H2*    C  13          1H2*        C  13  -1.242  -3.377   6.737
  138   2H2*    C  13          2H2*        C  13  -1.835  -1.769   7.128
  139   1H5*    G  14          1H5*        G  14  -2.952   0.688   8.550
  140   2H5*    G  14          2H5*        G  14  -4.569   1.220   8.040
  141    H4*    G  14           H4*        G  14  -3.213   2.668   6.908
  142    H3*    G  14           H3*        G  14  -4.340   0.624   5.250
  143    H1*    G  14           H1*        G  14  -0.839   2.377   5.003
  144    H8     G  14           H8         G  14  -0.997  -1.499   5.160
  145    H1     G  14           H1         G  14   4.829   1.098   4.477
  146   1H2     G  14          1H2         G  14   3.151   4.115   4.708
  147   2H2     G  14          2H2         G  14   4.689   3.294   4.530
  148   1H2*    G  14          1H2*        G  14  -2.430  -0.048   4.126
  149   2H2*    G  14          2H2*        G  14  -2.369   1.569   3.444
  150   1H5*  DFC  15          1H5*      DFC  15  -3.125   3.020   2.593
  151   2H5*  DFC  15          2H5*      DFC  15  -4.450   3.956   1.872
  152    H4*  DFC  15           H4*      DFC  15  -3.058   5.388   0.803
  153    H3*  DFC  15           H3*      DFC  15  -1.716   5.846   3.096
  154   1H2*  DFC  15          1H2*      DFC  15  -0.320   3.909   3.113
  155   2H2*  DFC  15          2H2*      DFC  15   0.713   5.027   2.232
  156    H1*  DFC  15           H1*      DFC  15   0.088   4.151   0.101
  157   1H4   DFC  15          1H4       DFC  15   0.844  -2.228   1.604
  158   2H4   DFC  15          2H4       DFC  15   2.468  -1.611   1.422
  159    H5   DFC  15           H5       DFC  15  -1.117  -0.811   1.541
  160    H6   DFC  15           H6       DFC  15  -1.909   1.483   1.299
  161   1H5*  DFG  16          1H5*      DFG  16  -2.369   9.260  -0.716
  162   2H5*  DFG  16          2H5*      DFG  16  -2.445   7.500  -0.477
  163    H4*  DFG  16           H4*      DFG  16  -4.735   9.313   0.226
  164    H3*  DFG  16           H3*      DFG  16  -4.001   9.291  -2.370
  165   1H2*  DFG  16          1H2*      DFG  16  -4.047   6.911  -2.708
  166   2H2*  DFG  16          2H2*      DFG  16  -5.677   7.349  -3.197
  167    H1*  DFG  16           H1*      DFG  16  -6.606   6.808  -1.036
  168    H8   DFG  16           H8       DFG  16  -7.196   4.438  -0.401
  169    H1   DFG  16           H1       DFG  16  -1.424   2.257  -2.141
  170   1H2   DFG  16          1H2       DFG  16  -0.669   5.591  -2.695
  171   2H2   DFG  16          2H2       DFG  16  -0.109   3.932  -2.714
  172   1H5*    C  17          1H5*        C  17  -5.499  11.537  -5.674
  173   2H5*    C  17          2H5*        C  17  -6.849  10.391  -5.810
  174    H4*    C  17           H4*        C  17  -4.138  10.276  -6.889
  175    H3*    C  17           H3*        C  17  -6.700   9.867  -7.920
  176    H1*    C  17           H1*        C  17  -3.923   7.214  -7.466
  177   1H4     C  17          1H4         C  17  -6.586   2.591  -3.513
  178   2H4     C  17          2H4         C  17  -5.028   2.010  -4.050
  179    H6     C  17           H6         C  17  -7.009   6.805  -5.422
  180   1H2*    C  17          1H2*        C  17  -6.951   7.586  -7.356
  181   2H2*    C  17          2H2*        C  17  -5.922   7.355  -8.762
  182   1H5*    G  18          1H5*        G  18  -3.301   8.216 -10.540
  183   2H5*    G  18          2H5*        G  18  -3.325   9.234 -11.996
  184    H4*    G  18           H4*        G  18  -2.634   7.261 -12.882
  185    H3*    G  18           H3*        G  18  -5.201   7.864 -13.637
  186    H1*    G  18           H1*        G  18  -4.037   4.324 -12.642
  187    H8     G  18           H8         G  18  -6.573   5.823 -10.131
  188    H1     G  18           H1         G  18  -4.605  -0.160  -8.916
  189   1H2     G  18          1H2         G  18  -2.510   0.309 -11.629
  190   2H2     G  18          2H2         G  18  -3.056  -0.757 -10.351
  191   1H2*    G  18          1H2*        G  18  -6.354   6.283 -12.280
  192   2H2*    G  18          2H2*        G  18  -5.997   5.258 -13.662
  193   1H5*    C  19          1H5*        C  19  -3.167   4.380 -15.990
  194   2H5*    C  19          2H5*        C  19  -3.495   4.507 -17.731
  195    H4*    C  19           H4*        C  19  -3.504   2.210 -17.153
  196    H3*    C  19           H3*        C  19  -5.762   3.335 -18.353
  197    H1*    C  19           H1*        C  19  -5.636   0.591 -15.693
  198   1H4     C  19          1H4         C  19  -9.099   2.771 -10.464
  199   2H4     C  19          2H4         C  19  -8.663   1.107 -10.159
  200    H6     C  19           H6         C  19  -7.223   3.777 -14.592
  201   1H2*    C  19          1H2*        C  19  -7.263   3.044 -16.541
  202   2H2*    C  19          2H2*        C  19  -7.341   1.415 -17.193
  203   1H5*    G  20          1H5*        G  20  -4.749  -1.187 -18.805
  204   2H5*    G  20          2H5*        G  20  -4.919  -1.586 -20.527
  205    H4*    G  20           H4*        G  20  -5.295  -3.584 -19.384
  206    H3*    G  20           H3*        G  20  -7.305  -2.708 -20.987
  207    H1*    G  20           H1*        G  20  -7.988  -4.110 -17.445
  208    H8     G  20           H8         G  20  -8.364  -0.253 -17.622
  209    H1     G  20           H1         G  20 -10.346  -3.049 -12.200
  210   1H2     G  20          1H2         G  20  -9.251  -5.977 -13.679
  211   2H2     G  20          2H2         G  20  -9.980  -5.214 -12.283
  212    H3T    G  20           H3T        G  20  -7.062  -5.072 -19.440
  213   1H2*    G  20          1H2*        G  20  -8.751  -1.815 -19.310
  214   2H2*    G  20          2H2*        G  20  -9.316  -3.479 -19.335
  215   1HC   CH3   1          1HC       CH3   1 -13.724  -1.749  -7.239
  216   2HC   CH3   1          2HC       CH3   1 -14.058  -1.196  -8.898
  217   3HC   CH3   1          3HC       CH3   1 -12.641  -0.573  -8.020
  218   1HC   CH3   3          1HC       CH3   3  -6.725  -3.754  -5.503
  219   2HC   CH3   3          2HC       CH3   3  -5.496  -2.885  -4.554
  220   3HC   CH3   3          3HC       CH3   3  -5.318  -4.629  -4.857
  221   1HC   CH3   7          1HC       CH3   7   9.357  -0.964   2.847
  222   2HC   CH3   7          2HC       CH3   7   9.630  -1.415   4.547
  223   3HC   CH3   7          3HC       CH3   7  10.725  -0.264   3.746
  224   1HC   CH3   9          1HC       CH3   9  10.392   1.862  11.427
  225   2HC   CH3   9          2HC       CH3   9  10.798   1.086  12.977
  226   3HC   CH3   9          3HC       CH3   9  10.472   2.834  12.915
  227   1HC   CH3  11          1HC       CH3  11  10.562  -7.085  10.205
  228   2HC   CH3  11          2HC       CH3  11  11.116  -5.942  11.452
  229   3HC   CH3  11          3HC       CH3  11  10.076  -5.375  10.124
  230   1HC   CH3  13          1HC       CH3  13   3.252  -4.209   5.055
  231   2HC   CH3  13          2HC       CH3  13   1.986  -5.323   5.622
  232   3HC   CH3  13          3HC       CH3  13   3.628  -5.426   6.299
  233   1HC   CH3  17          1HC       CH3  17  -8.359   4.146  -4.431
  234   2HC   CH3  17          2HC       CH3  17  -7.322   4.268  -2.990
  235   3HC   CH3  17          3HC       CH3  17  -8.028   5.737  -3.705
  236   1HC   CH3  19          1HC       CH3  19  -8.513   4.896 -13.163
  237   2HC   CH3  19          2HC       CH3  19  -9.781   3.790 -12.584
  238   3HC   CH3  19          3HC       CH3  19  -8.546   4.399 -11.455
  Start of MODEL    9
    1   1H5*    C   1          1H5*        C   1 -15.753  -2.619  -9.934
    2   2H5*    C   1          2H5*        C   1 -16.389  -3.411 -11.389
    3    H4*    C   1           H4*        C   1 -14.935  -5.372 -10.847
    4    H3*    C   1           H3*        C   1 -14.477  -4.344  -8.380
    5    H1*    C   1           H1*        C   1 -11.839  -4.021 -11.217
    6   1H4     C   1          1H4         C   1 -11.562   2.471 -12.560
    7   2H4     C   1          2H4         C   1 -10.367   1.671 -13.551
    8    H6     C   1           H6         C   1 -13.675  -0.944 -10.231
    9   1H2*    C   1          1H2*        C   1 -13.190  -2.433  -8.992
   10   2H2*    C   1          2H2*        C   1 -11.902  -3.621  -8.869
   11   1H5*    G   2          1H5*        G   2 -11.280  -6.874 -10.266
   12   2H5*    G   2          2H5*        G   2 -10.954  -8.318  -9.283
   13    H4*    G   2           H4*        G   2  -8.972  -7.966 -10.418
   14    H3*    G   2           H3*        G   2  -8.781  -7.805  -7.720
   15    H1*    G   2           H1*        G   2  -7.054  -5.224 -10.016
   16    H8     G   2           H8         G   2 -10.003  -3.711  -8.031
   17    H1     G   2           H1         G   2  -6.879   0.320 -11.924
   18   1H2     G   2          1H2         G   2  -5.090  -2.495 -12.870
   19   2H2     G   2          2H2         G   2  -5.342  -0.777 -13.075
   20   1H2*    G   2          1H2*        G   2  -8.775  -5.422  -7.501
   21   2H2*    G   2          2H2*        G   2  -7.051  -5.721  -7.670
   22   1H5*    C   3          1H5*        C   3  -4.617  -7.082 -10.025
   23   2H5*    C   3          2H5*        C   3  -3.892  -8.620  -9.509
   24    H4*    C   3           H4*        C   3  -2.056  -7.287  -9.865
   25    H3*    C   3           H3*        C   3  -2.312  -8.086  -7.314
   26    H1*    C   3           H1*        C   3  -1.653  -4.295  -8.061
   27   1H4     C   3          1H4         C   3  -7.376  -1.327  -6.515
   28   2H4     C   3          2H4         C   3  -6.369  -0.135  -7.300
   29    H6     C   3           H6         C   3  -4.936  -5.270  -6.690
   30   1H2*    C   3          1H2*        C   3  -3.363  -6.160  -6.378
   31   2H2*    C   3          2H2*        C   3  -1.679  -5.702  -6.165
   32   1H5*    G   4          1H5*        G   4   1.277  -5.637  -8.202
   33   2H5*    G   4          2H5*        G   4   2.878  -6.114  -7.598
   34    H4*    G   4           H4*        G   4   2.767  -3.784  -7.389
   35    H3*    G   4           H3*        G   4   3.074  -5.301  -5.045
   36    H1*    G   4           H1*        G   4   1.098  -2.012  -5.511
   37    H8     G   4           H8         G   4  -1.011  -4.939  -4.138
   38    H1     G   4           H1         G   4  -4.183   0.540  -5.162
   39   1H2     G   4          1H2         G   4  -1.186   1.650  -6.499
   40   2H2     G   4          2H2         G   4  -2.860   2.016  -6.130
   41   1H2*    G   4          1H2*        G   4   1.106  -4.627  -3.935
   42   2H2*    G   4          2H2*        G   4   2.026  -3.158  -3.637
   43   1H5*  DFC   5          1H5*      DFC   5   3.440  -2.759  -2.283
   44   2H5*  DFC   5          2H5*      DFC   5   4.936  -2.474  -1.373
   45    H4*  DFC   5           H4*      DFC   5   4.790  -0.194  -1.560
   46    H3*  DFC   5           H3*      DFC   5   4.116  -0.401  -4.176
   47   1H2*  DFC   5          1H2*      DFC   5   1.793  -0.896  -3.926
   48   2H2*  DFC   5          2H2*      DFC   5   1.722   0.860  -3.947
   49    H1*  DFC   5           H1*      DFC   5   1.629   1.031  -1.567
   50   1H4   DFC   5          1H4       DFC   5  -3.142  -3.499  -0.822
   51   2H4   DFC   5          2H4       DFC   5  -3.930  -1.941  -0.901
   52    H5   DFC   5           H5       DFC   5  -0.754  -3.772  -1.121
   53    H6   DFC   5           H6       DFC   5   1.343  -2.613  -1.569
   54   1H5*  DFG   6          1H5*      DFG   6   6.473   3.489  -2.150
   55   2H5*  DFG   6          2H5*      DFG   6   6.015   1.930  -1.432
   56    H4*  DFG   6           H4*      DFG   6   8.787   2.536  -2.440
   57    H3*  DFG   6           H3*      DFG   6   7.900   3.966  -0.350
   58   1H2*  DFG   6          1H2*      DFG   6   7.208   2.263   1.141
   59   2H2*  DFG   6          2H2*      DFG   6   8.913   2.282   1.573
   60    H1*  DFG   6           H1*      DFG   6   9.415   0.355   0.385
   61    H8   DFG   6           H8       DFG   6   8.642  -2.034   0.844
   62    H1   DFG   6           H1       DFG   6   2.573  -0.104   1.592
   63   1H2   DFG   6          1H2       DFG   6   3.741   2.968   0.521
   64   2H2   DFG   6          2H2       DFG   6   2.373   2.016   1.055
   65   1H5*    C   7          1H5*        C   7   8.583   3.938   2.444
   66   2H5*    C   7          2H5*        C   7   7.379   4.950   1.625
   67    H4*    C   7           H4*        C   7   8.350   6.912   2.837
   68    H3*    C   7           H3*        C   7  10.442   5.313   3.621
   69    H1*    C   7           H1*        C   7   7.131   5.093   6.070
   70   1H4     C   7          1H4         C   7   6.937  -1.076   3.706
   71   2H4     C   7          2H4         C   7   5.310  -0.688   4.208
   72    H6     C   7           H6         C   7   9.323   2.876   4.227
   73   1H2*    C   7          1H2*        C   7   9.760   4.172   5.530
   74   2H2*    C   7          2H2*        C   7   9.296   5.696   6.274
   75   1H5*    G   8          1H5*        G   8   8.975   8.170   6.354
   76   2H5*    G   8          2H5*        G   8   9.926   9.124   7.513
   77    H4*    G   8           H4*        G   8   8.158   8.146   8.724
   78    H3*    G   8           H3*        G   8  10.829   6.952   9.255
   79    H1*    G   8           H1*        G   8   7.154   5.477   9.375
   80    H8     G   8           H8         G   8  10.434   3.919   8.016
   81    H1     G   8           H1         G   8   5.341   0.029   8.267
   82   1H2     G   8          1H2         G   8   3.655   2.825   9.418
   83   2H2     G   8          2H2         G   8   3.575   1.130   8.986
   84   1H2*    G   8          1H2*        G   8   9.953   5.029  10.242
   85   2H2*    G   8          2H2*        G   8   8.664   5.936  11.018
   86   1H5*    C   9          1H5*        C   9   7.658   7.797  12.052
   87   2H5*    C   9          2H5*        C   9   8.047   8.296  13.712
   88    H4*    C   9           H4*        C   9   6.194   6.693  13.594
   89    H3*    C   9           H3*        C   9   8.326   6.531  15.409
   90    H1*    C   9           H1*        C   9   6.462   3.662  13.659
   91   1H4     C   9          1H4         C   9  11.023   0.311  10.193
   92   2H4     C   9          2H4         C   9   9.740  -0.805  10.591
   93    H6     C   9           H6         C   9   9.798   4.322  12.182
   94   1H2*    C   9          1H2*        C   9   9.231   4.476  14.667
   95   2H2*    C   9          2H2*        C   9   7.888   3.812  15.584
   96   1H5*    G  10          1H5*        G  10   4.485   3.936  15.973
   97   2H5*    G  10          2H5*        G  10   3.876   4.545  17.528
   98    H4*    G  10           H4*        G  10   3.014   2.394  17.353
   99    H3*    G  10           H3*        G  10   4.601   2.862  19.502
  100    H1*    G  10           H1*        G  10   4.939  -0.369  17.408
  101    H8     G  10           H8         G  10   7.788   2.161  16.677
  102    H1     G  10           H1         G  10   8.598  -3.758  14.347
  103   1H2     G  10          1H2         G  10   5.476  -4.377  15.728
  104   2H2     G  10          2H2         G  10   6.833  -5.010  14.824
  105    H3T    G  10           H3T        G  10   2.606   1.672  19.379
  106   1H2*    G  10          1H2*        G  10   6.608   1.841  18.700
  107   2H2*    G  10          2H2*        G  10   5.845   0.456  19.470
  108   1H5*    C  11          1H5*        C  11  11.074 -11.047  11.975
  109   2H5*    C  11          2H5*        C  11  11.492 -11.120  13.698
  110    H4*    C  11           H4*        C  11   8.985 -11.829  13.955
  111    H3*    C  11           H3*        C  11   8.760 -11.561  11.278
  112    H1*    C  11           H1*        C  11   7.747  -8.662  13.637
  113   1H4     C  11          1H4         C  11  12.288  -3.906  12.748
  114   2H4     C  11          2H4         C  11  10.894  -3.191  13.515
  115    H6     C  11           H6         C  11  11.167  -8.379  12.180
  116   1H2*    C  11          1H2*        C  11   9.333  -9.244  11.094
  117   2H2*    C  11          2H2*        C  11   7.590  -9.118  11.293
  118   1H5*    G  12          1H5*        G  12   5.545  -9.146  13.789
  119   2H5*    G  12          2H5*        G  12   4.155 -10.178  13.392
  120    H4*    G  12           H4*        G  12   3.138  -8.165  13.717
  121    H3*    G  12           H3*        G  12   3.079  -8.952  11.093
  122    H1*    G  12           H1*        G  12   3.817  -5.311  12.195
  123    H8     G  12           H8         G  12   6.902  -7.125  10.705
  124    H1     G  12           H1         G  12   7.636  -0.883  11.975
  125   1H2     G  12          1H2         G  12   4.412  -1.083  13.227
  126   2H2     G  12          2H2         G  12   5.811  -0.079  12.921
  127   1H2*    G  12          1H2*        G  12   4.713  -7.459  10.222
  128   2H2*    G  12          2H2*        G  12   3.310  -6.406  10.135
  129   1H5*    C  13          1H5*        C  13   1.583  -4.326  11.998
  130   2H5*    C  13          2H5*        C  13   0.080  -5.232  12.271
  131    H4*    C  13           H4*        C  13  -0.809  -3.213  11.816
  132    H3*    C  13           H3*        C  13  -1.312  -4.838   9.763
  133    H1*    C  13           H1*        C  13   0.551  -1.396   8.903
  134   1H4     C  13          1H4         C  13   6.637  -3.728   7.707
  135   2H4     C  13          2H4         C  13   6.739  -1.986   7.757
  136    H6     C  13           H6         C  13   2.214  -4.685   8.774
  137   1H2*    C  13          1H2*        C  13   0.462  -4.333   8.276
  138   2H2*    C  13          2H2*        C  13  -0.631  -3.048   7.789
  139   1H5*    G  14          1H5*        G  14  -2.918  -0.767   9.604
  140   2H5*    G  14          2H5*        G  14  -4.676  -0.549   9.472
  141    H4*    G  14           H4*        G  14  -3.912   1.308   8.389
  142    H3*    G  14           H3*        G  14  -5.066  -0.533   6.678
  143    H1*    G  14           H1*        G  14  -1.872   1.525   5.887
  144    H8     G  14           H8         G  14  -1.367  -2.284   5.749
  145    H1     G  14           H1         G  14   3.960   1.232   5.112
  146   1H2     G  14          1H2         G  14   1.890   3.913   5.854
  147   2H2     G  14          2H2         G  14   3.513   3.371   5.483
  148   1H2*    G  14          1H2*        G  14  -3.134  -1.225   5.502
  149   2H2*    G  14          2H2*        G  14  -3.435   0.262   4.614
  150   1H5*  DFC  15          1H5*      DFC  15  -4.862   0.794   3.235
  151   2H5*  DFC  15          2H5*      DFC  15  -6.276   1.321   2.299
  152    H4*  DFC  15           H4*      DFC  15  -5.241   3.195   1.507
  153    H3*  DFC  15           H3*      DFC  15  -4.321   3.805   3.965
  154   1H2*  DFC  15          1H2*      DFC  15  -2.460   2.308   4.060
  155   2H2*  DFC  15          2H2*      DFC  15  -1.681   3.715   3.350
  156    H1*  DFC  15           H1*      DFC  15  -1.829   2.860   1.130
  157   1H4   DFC  15          1H4       DFC  15   0.390  -3.217   2.522
  158   2H4   DFC  15          2H4       DFC  15   1.785  -2.262   2.075
  159    H5   DFC  15           H5       DFC  15  -1.832  -2.267   2.726
  160    H6   DFC  15           H6       DFC  15  -3.149  -0.224   2.544
  161   1H5*  DFG  16          1H5*      DFG  16  -5.238   7.454   0.389
  162   2H5*  DFG  16          2H5*      DFG  16  -5.109   5.685   0.285
  163    H4*  DFG  16           H4*      DFG  16  -7.661   7.257   0.645
  164    H3*  DFG  16           H3*      DFG  16  -6.446   7.182  -1.743
  165   1H2*  DFG  16          1H2*      DFG  16  -6.179   4.798  -1.910
  166   2H2*  DFG  16          2H2*      DFG  16  -7.693   5.033  -2.771
  167    H1*  DFG  16           H1*      DFG  16  -9.025   4.468  -0.844
  168    H8   DFG  16           H8       DFG  16  -9.367   2.157   0.302
  169    H1   DFG  16           H1       DFG  16  -3.384   0.452  -1.252
  170   1H2   DFG  16          1H2       DFG  16  -3.001   3.769  -2.157
  171   2H2   DFG  16          2H2       DFG  16  -2.266   2.189  -2.012
  172   1H5*    C  17          1H5*        C  17  -7.716   9.060  -5.375
  173   2H5*    C  17          2H5*        C  17  -8.592   7.584  -5.836
  174    H4*    C  17           H4*        C  17  -5.743   8.290  -6.092
  175    H3*    C  17           H3*        C  17  -7.624   7.630  -7.941
  176    H1*    C  17           H1*        C  17  -4.901   5.185  -6.824
  177   1H4     C  17          1H4         C  17  -7.830   0.236  -3.518
  178   2H4     C  17          2H4         C  17  -6.246  -0.312  -4.011
  179    H6     C  17           H6         C  17  -8.172   4.567  -5.147
  180   1H2*    C  17          1H2*        C  17  -7.920   5.339  -7.302
  181   2H2*    C  17          2H2*        C  17  -6.647   5.178  -8.499
  182   1H5*    G  18          1H5*        G  18  -3.155   7.876  -9.149
  183   2H5*    G  18          2H5*        G  18  -2.894   9.277 -10.208
  184    H4*    G  18           H4*        G  18  -1.382   7.824 -11.074
  185    H3*    G  18           H3*        G  18  -3.381   8.251 -12.810
  186    H1*    G  18           H1*        G  18  -2.417   4.489 -11.953
  187    H8     G  18           H8         G  18  -5.763   5.879 -10.659
  188    H1     G  18           H1         G  18  -4.321  -0.071  -8.752
  189   1H2     G  18          1H2         G  18  -1.287   0.494 -10.307
  190   2H2     G  18          2H2         G  18  -2.287  -0.615  -9.395
  191   1H2*    G  18          1H2*        G  18  -4.748   6.353 -12.427
  192   2H2*    G  18          2H2*        G  18  -3.635   5.632 -13.582
  193   1H5*    C  19          1H5*        C  19  -0.766   4.892 -14.558
  194   2H5*    C  19          2H5*        C  19  -0.427   5.202 -16.273
  195    H4*    C  19           H4*        C  19  -1.037   2.928 -16.065
  196    H3*    C  19           H3*        C  19  -2.543   4.596 -17.746
  197    H1*    C  19           H1*        C  19  -3.741   1.654 -15.604
  198   1H4     C  19          1H4         C  19  -8.466   3.984 -11.567
  199   2H4     C  19          2H4         C  19  -8.322   2.266 -11.291
  200    H6     C  19           H6         C  19  -5.220   4.963 -14.746
  201   1H2*    C  19          1H2*        C  19  -4.611   4.411 -16.609
  202   2H2*    C  19          2H2*        C  19  -4.675   2.874 -17.459
  203   1H5*    G  20          1H5*        G  20  -2.099   0.116 -18.538
  204   2H5*    G  20          2H5*        G  20  -1.698  -0.206 -20.239
  205    H4*    G  20           H4*        G  20  -2.843  -2.099 -19.498
  206    H3*    G  20           H3*        G  20  -3.904  -0.802 -21.628
  207    H1*    G  20           H1*        G  20  -6.124  -2.041 -18.715
  208    H8     G  20           H8         G  20  -5.887   1.811 -18.889
  209    H1     G  20           H1         G  20  -9.495  -0.565 -14.148
  210   1H2     G  20          1H2         G  20  -8.377  -3.644 -15.261
  211   2H2     G  20          2H2         G  20  -9.361  -2.763 -14.114
  212    H3T    G  20           H3T        G  20  -4.713  -3.169 -20.296
  213   1H2*    G  20          1H2*        G  20  -5.639   0.391 -20.498
  214   2H2*    G  20          2H2*        G  20  -6.494  -1.095 -20.886
  215   1HC   CH3   1          1HC       CH3   1 -12.664   2.280 -10.882
  216   2HC   CH3   1          2HC       CH3   1 -14.029   1.238 -10.417
  217   3HC   CH3   1          3HC       CH3   1 -13.821   1.726 -12.116
  218   1HC   CH3   3          1HC       CH3   3  -6.744  -3.007  -5.047
  219   2HC   CH3   3          2HC       CH3   3  -6.804  -4.673  -5.671
  220   3HC   CH3   3          3HC       CH3   3  -7.752  -3.391  -6.462
  221   1HC   CH3   7          1HC       CH3   7   9.036  -0.313   4.764
  222   2HC   CH3   7          2HC       CH3   7   9.881   0.798   3.660
  223   3HC   CH3   7          3HC       CH3   7   8.628  -0.297   3.032
  224   1HC   CH3   9          1HC       CH3   9  11.413   2.358   9.931
  225   2HC   CH3   9          2HC       CH3   9  12.013   1.916  11.547
  226   3HC   CH3   9          3HC       CH3   9  11.635   3.614  11.173
  227   1HC   CH3  11          1HC       CH3  11  13.274  -5.954  13.060
  228   2HC   CH3  11          2HC       CH3  11  12.774  -5.491  11.416
  229   3HC   CH3  11          3HC       CH3  11  13.006  -7.207  11.825
  230   1HC   CH3  13          1HC       CH3  13   5.495  -5.367   8.571
  231   2HC   CH3  13          2HC       CH3  13   4.989  -5.041   6.896
  232   3HC   CH3  13          3HC       CH3  13   3.894  -5.898   8.007
  233   1HC   CH3  17          1HC       CH3  17  -9.440   1.638  -4.283
  234   2HC   CH3  17          2HC       CH3  17  -8.569   2.113  -2.805
  235   3HC   CH3  17          3HC       CH3  17  -9.408   3.344  -3.778
  236   1HC   CH3  19          1HC       CH3  19  -7.472   5.573 -12.177
  237   2HC   CH3  19          2HC       CH3  19  -6.794   6.161 -13.713
  238   3HC   CH3  19          3HC       CH3  19  -8.286   5.191 -13.713
  Start of MODEL   10
    1   1H5*    C   1          1H5*        C   1 -16.597  -1.346 -11.381
    2   2H5*    C   1          2H5*        C   1 -17.148  -2.036 -12.920
    3    H4*    C   1           H4*        C   1 -16.129  -4.212 -12.176
    4    H3*    C   1           H3*        C   1 -15.810  -3.242  -9.693
    5    H1*    C   1           H1*        C   1 -12.758  -3.107 -12.182
    6   1H4     C   1          1H4         C   1 -12.320   3.369 -13.559
    7   2H4     C   1          2H4         C   1 -10.940   2.577 -14.281
    8    H6     C   1           H6         C   1 -14.760  -0.032 -11.558
    9   1H2*    C   1          1H2*        C   1 -14.265  -1.482 -10.109
   10   2H2*    C   1          2H2*        C   1 -13.125  -2.799  -9.878
   11   1H5*    G   2          1H5*        G   2 -12.381  -5.391 -11.185
   12   2H5*    G   2          2H5*        G   2 -12.331  -7.038 -10.522
   13    H4*    G   2           H4*        G   2 -10.138  -6.775 -10.956
   14    H3*    G   2           H3*        G   2 -10.532  -6.651  -8.283
   15    H1*    G   2           H1*        G   2  -8.283  -4.024 -10.082
   16    H8     G   2           H8         G   2 -11.531  -2.584  -8.605
   17    H1     G   2           H1         G   2  -7.979   1.523 -12.021
   18   1H2     G   2          1H2         G   2  -6.009  -1.240 -12.701
   19   2H2     G   2          2H2         G   2  -6.271   0.476 -12.934
   20   1H2*    G   2          1H2*        G   2 -10.476  -4.285  -7.985
   21   2H2*    G   2          2H2*        G   2  -8.760  -4.635  -7.837
   22   1H5*    C   3          1H5*        C   3  -6.439  -6.829  -9.951
   23   2H5*    C   3          2H5*        C   3  -5.440  -8.179  -9.372
   24    H4*    C   3           H4*        C   3  -3.920  -6.536 -10.007
   25    H3*    C   3           H3*        C   3  -3.785  -7.331  -7.426
   26    H1*    C   3           H1*        C   3  -3.608  -3.619  -8.382
   27   1H4     C   3          1H4         C   3  -9.086  -0.681  -6.074
   28   2H4     C   3          2H4         C   3  -8.161   0.527  -6.929
   29    H6     C   3           H6         C   3  -6.714  -4.632  -6.629
   30   1H2*    C   3          1H2*        C   3  -5.024  -5.522  -6.451
   31   2H2*    C   3          2H2*        C   3  -3.388  -4.894  -6.346
   32   1H5*    G   4          1H5*        G   4  -0.280  -4.609  -8.792
   33   2H5*    G   4          2H5*        G   4   1.101  -5.722  -8.897
   34    H4*    G   4           H4*        G   4   2.173  -3.773  -8.429
   35    H3*    G   4           H3*        G   4   2.415  -5.470  -6.393
   36    H1*    G   4           H1*        G   4   1.087  -1.847  -5.572
   37    H8     G   4           H8         G   4  -1.429  -4.690  -5.172
   38    H1     G   4           H1         G   4  -3.958   1.199  -4.969
   39   1H2     G   4          1H2         G   4  -0.801   2.255  -5.911
   40   2H2     G   4          2H2         G   4  -2.446   2.700  -5.505
   41   1H2*    G   4          1H2*        G   4   0.560  -4.787  -5.050
   42   2H2*    G   4          2H2*        G   4   1.809  -3.747  -4.383
   43   1H5*  DFC   5          1H5*      DFC   5   3.741  -3.959  -3.331
   44   2H5*  DFC   5          2H5*      DFC   5   5.381  -4.267  -2.729
   45    H4*  DFC   5           H4*      DFC   5   5.725  -2.110  -2.114
   46    H3*  DFC   5           H3*      DFC   5   4.939  -1.235  -4.523
   47   1H2*  DFC   5          1H2*      DFC   5   2.573  -1.422  -4.258
   48   2H2*  DFC   5          2H2*      DFC   5   2.814   0.229  -3.705
   49    H1*  DFC   5           H1*      DFC   5   2.743  -0.373  -1.407
   50   1H4   DFC   5          1H4       DFC   5  -2.522  -4.353  -1.719
   51   2H4   DFC   5          2H4       DFC   5  -3.152  -2.734  -1.535
   52    H5   DFC   5           H5       DFC   5  -0.161  -4.817  -2.007
   53    H6   DFC   5           H6       DFC   5   2.056  -3.822  -2.190
   54   1H5*  DFG   6          1H5*      DFG   6   8.423   1.982  -2.392
   55   2H5*  DFG   6          2H5*      DFG   6   7.624   0.548  -1.712
   56    H4*  DFG   6           H4*      DFG   6  10.101   0.447  -3.430
   57    H3*  DFG   6           H3*      DFG   6  10.315   1.568  -1.010
   58   1H2*  DFG   6          1H2*      DFG   6   9.233  -0.158   0.270
   59   2H2*  DFG   6          2H2*      DFG   6  10.920  -0.635   0.413
   60    H1*  DFG   6           H1*      DFG   6  10.750  -2.257  -1.347
   61    H8   DFG   6           H8       DFG   6   9.882  -4.526  -0.703
   62    H1   DFG   6           H1       DFG   6   4.261  -2.137   1.251
   63   1H2   DFG   6          1H2       DFG   6   5.563   0.913   0.255
   64   2H2   DFG   6          2H2       DFG   6   4.205   0.042   0.933
   65   1H5*    C   7          1H5*        C   7  13.780   3.324   1.046
   66   2H5*    C   7          2H5*        C   7  13.110   1.860   1.795
   67    H4*    C   7           H4*        C   7  11.720   4.477   1.249
   68    H3*    C   7           H3*        C   7  13.125   3.957   3.475
   69    H1*    C   7           H1*        C   7   9.320   3.102   3.395
   70   1H4     C   7          1H4         C   7   9.080  -3.523   3.108
   71   2H4     C   7          2H4         C   7   7.491  -2.943   3.539
   72    H6     C   7           H6         C   7  11.675   0.305   2.663
   73   1H2*    C   7          1H2*        C   7  12.028   1.947   4.171
   74   2H2*    C   7          2H2*        C   7  11.052   3.139   5.019
   75   1H5*    G   8          1H5*        G   8   9.027   5.780   4.029
   76   2H5*    G   8          2H5*        G   8   9.165   7.344   4.860
   77    H4*    G   8           H4*        G   8   7.003   6.362   5.253
   78    H3*    G   8           H3*        G   8   8.528   7.376   7.302
   79    H1*    G   8           H1*        G   8   6.455   4.175   7.513
   80    H8     G   8           H8         G   8  10.232   3.276   7.300
   81    H1     G   8           H1         G   8   6.263  -1.440   9.078
   82   1H2     G   8          1H2         G   8   3.784   0.948   8.737
   83   2H2     G   8          2H2         G   8   4.192  -0.706   9.137
   84   1H2*    G   8          1H2*        G   8   9.203   5.294   8.263
   85   2H2*    G   8          2H2*        G   8   7.675   5.527   9.102
   86   1H5*    C   9          1H5*        C   9   3.721   6.234   8.582
   87   2H5*    C   9          2H5*        C   9   3.488   7.561   9.740
   88    H4*    C   9           H4*        C   9   2.400   5.416  10.373
   89    H3*    C   9           H3*        C   9   3.755   7.163  12.097
   90    H1*    C   9           H1*        C   9   3.714   3.314  12.167
   91   1H4     C   9          1H4         C   9  10.073   1.465  11.679
   92   2H4     C   9          2H4         C   9   9.129   0.046  12.058
   93    H6     C   9           H6         C   9   6.984   4.918  11.385
   94   1H2*    C   9          1H2*        C   9   5.518   5.720  12.719
   95   2H2*    C   9          2H2*        C   9   4.283   5.020  13.754
   96   1H5*    G  10          1H5*        G  10   0.175   4.617  13.533
   97   2H5*    G  10          2H5*        G  10  -0.843   5.494  14.694
   98    H4*    G  10           H4*        G  10  -0.950   3.146  15.149
   99    H3*    G  10           H3*        G  10  -0.485   4.917  17.146
  100    H1*    G  10           H1*        G  10   1.595   1.667  16.822
  101    H8     G  10           H8         G  10   3.589   4.840  15.831
  102    H1     G  10           H1         G  10   6.908  -0.645  16.034
  103   1H2     G  10          1H2         G  10   3.859  -2.097  16.776
  104   2H2     G  10          2H2         G  10   5.571  -2.328  16.505
  105    H3T    G  10           H3T        G  10  -0.793   2.106  17.146
  106   1H2*    G  10          1H2*        G  10   1.884   4.666  17.318
  107   2H2*    G  10          2H2*        G  10   1.364   3.416  18.441
  108   1H5*    C  11          1H5*        C  11  11.854  -6.426  18.442
  109   2H5*    C  11          2H5*        C  11  11.023  -5.979  19.944
  110    H4*    C  11           H4*        C  11   9.148  -7.525  19.130
  111    H3*    C  11           H3*        C  11  10.746  -8.191  17.025
  112    H1*    C  11           H1*        C  11   7.873  -5.622  16.711
  113   1H4     C  11          1H4         C  11  10.759   0.210  15.410
  114   2H4     C  11          2H4         C  11   9.034   0.474  15.481
  115    H6     C  11           H6         C  11  11.324  -4.288  16.417
  116   1H2*    C  11          1H2*        C  11  10.784  -6.082  15.911
  117   2H2*    C  11          2H2*        C  11   9.333  -6.763  15.194
  118   1H5*    G  12          1H5*        G  12   6.191  -8.858  16.580
  119   2H5*    G  12          2H5*        G  12   5.704 -10.258  15.602
  120    H4*    G  12           H4*        G  12   4.188  -8.431  15.248
  121    H3*    G  12           H3*        G  12   5.359  -9.778  13.127
  122    H1*    G  12           H1*        G  12   4.658  -6.019  13.310
  123    H8     G  12           H8         G  12   8.476  -6.731  13.367
  124    H1     G  12           H1         G  12   6.748  -0.609  12.558
  125   1H2     G  12          1H2         G  12   3.510  -1.816  12.852
  126   2H2     G  12          2H2         G  12   4.547  -0.426  12.615
  127   1H2*    G  12          1H2*        G  12   6.775  -8.020  12.370
  128   2H2*    G  12          2H2*        G  12   5.293  -7.542  11.555
  129   1H5*    C  13          1H5*        C  13   1.554  -7.237  12.791
  130   2H5*    C  13          2H5*        C  13   0.354  -7.997  11.725
  131    H4*    C  13           H4*        C  13   0.013  -5.615  11.818
  132    H3*    C  13           H3*        C  13   0.004  -6.946   9.457
  133    H1*    C  13           H1*        C  13   1.847  -3.613   9.896
  134   1H4     C  13          1H4         C  13   8.363  -4.809   9.507
  135   2H4     C  13          2H4         C  13   8.116  -3.092   9.307
  136    H6     C  13           H6         C  13   4.103  -6.579  10.065
  137   1H2*    C  13          1H2*        C  13   2.249  -6.431   8.778
  138   2H2*    C  13          2H2*        C  13   1.373  -5.092   8.050
  139   1H5*    G  14          1H5*        G  14  -0.234  -2.149   9.010
  140   2H5*    G  14          2H5*        G  14  -1.999  -2.276   8.858
  141    H4*    G  14           H4*        G  14  -1.527  -0.252   7.859
  142    H3*    G  14           H3*        G  14  -2.652  -2.035   6.208
  143    H1*    G  14           H1*        G  14   0.586  -0.175   5.027
  144    H8     G  14           H8         G  14   1.080  -3.889   5.950
  145    H1     G  14           H1         G  14   6.359  -0.743   4.111
  146   1H2     G  14          1H2         G  14   4.297   2.045   4.055
  147   2H2     G  14          2H2         G  14   5.907   1.398   3.814
  148   1H2*    G  14          1H2*        G  14  -0.688  -2.932   5.185
  149   2H2*    G  14          2H2*        G  14  -1.036  -1.618   4.071
  150   1H5*  DFC  15          1H5*      DFC  15  -2.873  -0.787   2.739
  151   2H5*  DFC  15          2H5*      DFC  15  -4.293  -0.129   1.900
  152    H4*  DFC  15           H4*      DFC  15  -3.156   1.659   1.062
  153    H3*  DFC  15           H3*      DFC  15  -2.102   2.218   3.460
  154   1H2*  DFC  15          1H2*      DFC  15  -0.412   0.524   3.533
  155   2H2*  DFC  15          2H2*      DFC  15   0.498   1.850   2.825
  156    H1*  DFC  15           H1*      DFC  15   0.250   1.020   0.601
  157   1H4   DFC  15          1H4       DFC  15   1.837  -5.252   1.976
  158   2H4   DFC  15          2H4       DFC  15   3.328  -4.448   1.554
  159    H5   DFC  15           H5       DFC  15  -0.276  -4.087   2.174
  160    H6   DFC  15           H6       DFC  15  -1.384  -1.924   1.980
  161   1H5*  DFG  16          1H5*      DFG  16  -2.790   6.170   0.411
  162   2H5*  DFG  16          2H5*      DFG  16  -3.017   4.409   0.449
  163    H4*  DFG  16           H4*      DFG  16  -4.931   6.247   1.841
  164    H3*  DFG  16           H3*      DFG  16  -4.648   6.696  -0.802
  165   1H2*  DFG  16          1H2*      DFG  16  -5.000   4.452  -1.573
  166   2H2*  DFG  16          2H2*      DFG  16  -6.637   5.087  -1.653
  167    H1*  DFG  16           H1*      DFG  16  -7.246   4.152   0.476
  168    H8   DFG  16           H8       DFG  16  -8.041   1.765   0.437
  169    H1   DFG  16           H1       DFG  16  -2.466  -0.348  -1.929
  170   1H2   DFG  16          1H2       DFG  16  -1.486   2.968  -1.737
  171   2H2   DFG  16          2H2       DFG  16  -1.049   1.326  -2.153
  172   1H5*    C  17          1H5*        C  17  -6.370   9.847  -3.115
  173   2H5*    C  17          2H5*        C  17  -7.673   8.703  -3.494
  174    H4*    C  17           H4*        C  17  -5.023   9.039  -4.682
  175    H3*    C  17           H3*        C  17  -7.539   8.933  -5.734
  176    H1*    C  17           H1*        C  17  -4.992   6.098  -6.105
  177   1H4     C  17          1H4         C  17  -7.382   0.802  -2.906
  178   2H4     C  17          2H4         C  17  -5.860   0.346  -3.628
  179    H6     C  17           H6         C  17  -7.896   5.300  -3.930
  180   1H2*    C  17          1H2*        C  17  -7.933   6.593  -5.420
  181   2H2*    C  17          2H2*        C  17  -7.183   6.573  -7.007
  182   1H5*    G  18          1H5*        G  18  -4.012   8.594  -8.280
  183   2H5*    G  18          2H5*        G  18  -3.673  10.022  -9.280
  184    H4*    G  18           H4*        G  18  -2.701   8.427 -10.555
  185    H3*    G  18           H3*        G  18  -4.945   9.336 -11.750
  186    H1*    G  18           H1*        G  18  -4.352   5.447 -11.431
  187    H8     G  18           H8         G  18  -7.203   6.975  -9.345
  188    H1     G  18           H1         G  18  -6.175   0.709  -8.449
  189   1H2     G  18          1H2         G  18  -3.461   1.172 -10.540
  190   2H2     G  18          2H2         G  18  -4.397   0.055  -9.569
  191   1H2*    G  18          1H2*        G  18  -6.471   7.604 -11.206
  192   2H2*    G  18          2H2*        G  18  -5.762   6.882 -12.642
  193   1H5*    C  19          1H5*        C  19  -2.151   6.796 -13.952
  194   2H5*    C  19          2H5*        C  19  -1.634   7.073 -15.630
  195    H4*    C  19           H4*        C  19  -1.805   4.725 -15.268
  196    H3*    C  19           H3*        C  19  -3.209   5.933 -17.349
  197    H1*    C  19           H1*        C  19  -4.377   3.018 -15.153
  198   1H4     C  19          1H4         C  19  -9.960   5.006 -12.154
  199   2H4     C  19          2H4         C  19  -9.717   3.320 -11.769
  200    H6     C  19           H6         C  19  -6.319   6.173 -14.787
  201   1H2*    C  19          1H2*        C  19  -5.400   5.552 -16.531
  202   2H2*    C  19          2H2*        C  19  -5.119   3.970 -17.241
  203   1H5*    G  20          1H5*        G  20  -1.906   1.555 -17.580
  204   2H5*    G  20          2H5*        G  20  -1.172   1.159 -19.148
  205    H4*    G  20           H4*        G  20  -2.138  -0.826 -18.365
  206    H3*    G  20           H3*        G  20  -2.933   0.051 -20.797
  207    H1*    G  20           H1*        G  20  -5.534  -1.181 -18.188
  208    H8     G  20           H8         G  20  -5.616   2.635 -18.793
  209    H1     G  20           H1         G  20  -9.953   0.358 -14.654
  210   1H2     G  20          1H2         G  20  -8.351  -2.670 -15.130
  211   2H2     G  20          2H2         G  20  -9.635  -1.799 -14.324
  212    H3T    G  20           H3T        G  20  -3.659  -2.260 -19.329
  213   1H2*    G  20          1H2*        G  20  -4.999   1.072 -20.174
  214   2H2*    G  20          2H2*        G  20  -5.557  -0.565 -20.494
  215   1HC   CH3   1          1HC       CH3   1 -15.130   2.119 -11.899
  216   2HC   CH3   1          2HC       CH3   1 -14.521   2.670 -13.478
  217   3HC   CH3   1          3HC       CH3   1 -13.694   3.167 -11.982
  218   1HC   CH3   3          1HC       CH3   3  -8.324  -2.431  -4.735
  219   2HC   CH3   3          2HC       CH3   3  -8.478  -4.064  -5.425
  220   3HC   CH3   3          3HC       CH3   3  -9.477  -2.734  -6.057
  221   1HC   CH3   7          1HC       CH3   7  12.030  -1.842   2.266
  222   2HC   CH3   7          2HC       CH3   7  10.614  -2.799   1.773
  223   3HC   CH3   7          3HC       CH3   7  11.216  -2.898   3.445
  224   1HC   CH3   9          1HC       CH3   9   9.149   4.766  10.981
  225   2HC   CH3   9          2HC       CH3   9   9.634   3.202  10.285
  226   3HC   CH3   9          3HC       CH3   9  10.034   3.587  11.976
  227   1HC   CH3  11          1HC       CH3  11  12.240  -1.063  16.426
  228   2HC   CH3  11          2HC       CH3  11  12.011  -1.465  14.708
  229   3HC   CH3  11          3HC       CH3  11  12.702  -2.670  15.819
  230   1HC   CH3  13          1HC       CH3  13   7.209  -6.449   8.645
  231   2HC   CH3  13          2HC       CH3  13   6.072  -7.466   9.560
  232   3HC   CH3  13          3HC       CH3  13   7.396  -6.630  10.405
  233   1HC   CH3  17          1HC       CH3  17  -9.203   3.790  -2.989
  234   2HC   CH3  17          2HC       CH3  17  -9.022   2.149  -3.656
  235   3HC   CH3  17          3HC       CH3  17  -8.345   2.539  -2.056
  236   1HC   CH3  19          1HC       CH3  19  -9.517   6.401 -13.739
  237   2HC   CH3  19          2HC       CH3  19  -8.507   6.721 -12.309
  238   3HC   CH3  19          3HC       CH3  19  -7.996   7.309 -13.909
  Start of MODEL   11
    1   1H5*    C   1          1H5*        C   1 -15.433  -1.259 -10.467
    2   2H5*    C   1          2H5*        C   1 -16.110  -1.294 -12.107
    3    H4*    C   1           H4*        C   1 -15.619  -3.819 -12.014
    4    H3*    C   1           H3*        C   1 -14.845  -3.545  -9.463
    5    H1*    C   1           H1*        C   1 -12.098  -3.349 -12.286
    6   1H4     C   1          1H4         C   1 -10.568   3.110 -12.341
    7   2H4     C   1          2H4         C   1  -9.397   2.270 -13.326
    8    H6     C   1           H6         C   1 -13.460  -0.199 -10.838
    9   1H2*    C   1          1H2*        C   1 -13.028  -2.026  -9.720
   10   2H2*    C   1          2H2*        C   1 -12.161  -3.539  -9.942
   11   1H5*    G   2          1H5*        G   2 -11.597  -5.706 -11.646
   12   2H5*    G   2          2H5*        G   2 -11.639  -7.389 -11.082
   13    H4*    G   2           H4*        G   2  -9.410  -7.148 -11.349
   14    H3*    G   2           H3*        G   2 -10.029  -7.200  -8.699
   15    H1*    G   2           H1*        G   2  -7.510  -4.652 -10.172
   16    H8     G   2           H8         G   2 -10.624  -2.999  -8.654
   17    H1     G   2           H1         G   2  -6.658   0.962 -11.774
   18   1H2     G   2          H21         G   2  -4.973  -1.934 -12.659
   19   2H2     G   2          H22         G   2  -5.059  -0.190 -12.768
   20   1H2*    G   2          1H2*        G   2  -9.855  -4.868  -8.231
   21   2H2*    G   2          2H2*        G   2  -8.180  -5.339  -7.985
   22   1H5*    C   3          1H5*        C   3  -5.813  -7.599 -10.135
   23   2H5*    C   3          2H5*        C   3  -4.999  -9.044  -9.499
   24    H4*    C   3           H4*        C   3  -3.273  -7.587 -10.023
   25    H3*    C   3           H3*        C   3  -3.445  -8.323  -7.410
   26    H1*    C   3           H1*        C   3  -2.794  -4.629  -8.454
   27   1H4     C   3          1H4         C   3  -8.228  -1.354  -6.506
   28   2H4     C   3          2H4         C   3  -7.133  -0.199  -7.221
   29    H6     C   3           H6         C   3  -6.093  -5.454  -6.963
   30   1H2*    C   3          1H2*        C   3  -4.392  -6.338  -6.502
   31   2H2*    C   3          2H2*        C   3  -2.694  -5.886  -6.442
   32   1H5*    G   4          1H5*        G   4  -0.350  -5.885  -8.535
   33   2H5*    G   4          2H5*        G   4   1.384  -6.233  -8.699
   34    H4*    G   4           H4*        G   4   1.528  -4.103  -7.986
   35    H3*    G   4           H3*        G   4   1.988  -5.879  -5.827
   36    H1*    G   4           H1*        G   4   0.302  -2.423  -5.874
   37    H8     G   4           H8         G   4  -2.036  -5.237  -4.568
   38    H1     G   4           H1         G   4  -4.298   0.757  -4.183
   39   1H2     G   4          H21         G   4  -1.322   1.635  -5.717
   40   2H2     G   4          H22         G   4  -2.849   2.166  -5.047
   41   1H2*    G   4          1H2*        G   4   0.276  -5.105  -4.408
   42   2H2*    G   4          2H2*        G   4   1.354  -3.737  -4.171
   43   1H5*  DFC   5          1H5*      DFC   5   2.958  -3.640  -3.032
   44   2H5*  DFC   5          2H5*      DFC   5   4.554  -3.528  -2.265
   45    H4*  DFC   5           H4*      DFC   5   4.594  -1.230  -2.354
   46    H3*  DFC   5           H3*      DFC   5   3.605  -1.255  -4.875
   47   1H2*  DFC   5          1H2*      DFC   5   1.297  -1.600  -4.362
   48   2H2*  DFC   5          2H2*      DFC   5   1.357   0.156  -4.322
   49    H1*  DFC   5           H1*      DFC   5   1.569   0.234  -1.939
   50   1H4   DFC   5          1H4       DFC   5  -3.451  -3.914  -0.747
   51   2H4   DFC   5          2H4       DFC   5  -4.097  -2.291  -0.656
   52    H5   DFC   5           H5       DFC   5  -1.153  -4.375  -1.374
   53    H6   DFC   5           H6       DFC   5   0.969  -3.374  -2.041
   54   1H5*  DFG   6          1H5*      DFG   6   6.709   2.210  -3.155
   55   2H5*  DFG   6          2H5*      DFG   6   6.158   0.717  -2.364
   56    H4*  DFG   6           H4*      DFG   6   8.764   1.030  -3.854
   57    H3*  DFG   6           H3*      DFG   6   8.502   2.268  -1.517
   58   1H2*  DFG   6          1H2*      DFG   6   7.598   0.472  -0.215
   59   2H2*  DFG   6          2H2*      DFG   6   9.312   0.266   0.114
   60    H1*  DFG   6           H1*      DFG   6   9.548  -1.517  -1.430
   61    H8   DFG   6           H8       DFG   6   8.571  -3.911  -1.362
   62    H1   DFG   6           H1       DFG   6   3.055  -1.681   1.032
   63    H21  DFG   6           H21      DFG   6   4.398   1.440   0.375
   64    H22  DFG   6           H22      DFG   6   3.038   0.520   0.981
   65   1H5*    C   7          1H5*        C   7  11.629   4.440   0.753
   66   2H5*    C   7          2H5*        C   7  11.575   2.950   1.717
   67    H4*    C   7           H4*        C   7   9.691   5.238   1.597
   68    H3*    C   7           H3*        C   7  11.310   4.424   3.598
   69    H1*    C   7           H1*        C   7   7.569   3.500   3.586
   70   1H4     C   7          1H4         C   7   7.168  -3.021   2.437
   71   2H4     C   7          2H4         C   7   5.633  -2.487   3.076
   72    H6     C   7           H6         C   7   9.803   0.804   2.305
   73   1H2*    C   7          1H2*        C   7  10.337   2.265   3.978
   74   2H2*    C   7          2H2*        C   7   9.411   3.241   5.110
   75   1H5*    G   8          1H5*        G   8   7.666   6.497   4.791
   76   2H5*    G   8          2H5*        G   8   7.899   8.218   5.160
   77    H4*    G   8           H4*        G   8   6.113   7.824   6.475
   78    H3*    G   8           H3*        G   8   8.316   8.093   8.019
   79    H1*    G   8           H1*        G   8   5.810   5.185   8.629
   80    H8     G   8           H8         G   8   9.209   4.049   7.187
   81    H1     G   8           H1         G   8   4.954  -0.615   8.332
   82   1H2     G   8          H21         G   8   2.809   1.963   9.159
   83   2H2     G   8          H22         G   8   3.043   0.237   8.988
   84   1H2*    G   8          1H2*        G   8   8.792   5.787   8.410
   85   2H2*    G   8          2H2*        G   8   7.705   6.100   9.754
   86   1H5*    C   9          1H5*        C   9   4.371   7.854  10.652
   87   2H5*    C   9          2H5*        C   9   4.502   8.907  12.077
   88    H4*    C   9           H4*        C   9   3.528   6.767  12.654
   89    H3*    C   9           H3*        C   9   5.627   7.900  14.092
   90    H1*    C   9           H1*        C   9   5.055   4.212  13.332
   91   1H4     C   9          1H4         C   9  10.297   1.961   9.932
   92   2H4     C   9          2H4         C   9   9.260   0.602  10.288
   93    H6     C   9           H6         C   9   8.107   5.640  11.741
   94   1H2*    C   9          1H2*        C   9   7.289   6.298  13.525
   95   2H2*    C   9          2H2*        C   9   6.518   5.424  14.839
   96   1H5*    G  10          1H5*        G  10   2.436   5.098  16.148
   97   2H5*    G  10          2H5*        G  10   2.120   5.810  17.744
   98    H4*    G  10           H4*        G  10   1.644   3.508  17.903
   99    H3*    G  10           H3*        G  10   3.376   4.576  19.683
  100    H1*    G  10           H1*        G  10   4.190   1.217  17.897
  101    H8     G  10           H8         G  10   6.098   4.248  16.404
  102    H1     G  10           H1         G  10   8.158  -1.554  14.610
  103   1H2     G  10          H21         G  10   5.590  -2.741  16.605
  104   2H2     G  10          H22         G  10   6.922  -3.122  15.537
  105    H3T    G  10           H3T        G  10   2.446   1.907  19.429
  106   1H2*    G  10          1H2*        G  10   5.430   3.889  18.681
  107   2H2*    G  10          2H2*        G  10   5.111   2.487  19.692
  108   1H5*    C  11          1H5*        C  11  12.305  -8.099  12.505
  109   2H5*    C  11          2H5*        C  11  12.801  -7.268  13.991
  110    H4*    C  11           H4*        C  11  11.055  -9.187  14.900
  111    H3*    C  11           H3*        C  11  10.364  -9.357  12.326
  112    H1*    C  11           H1*        C  11   8.572  -6.607  14.526
  113   1H4     C  11          1H4         C  11  11.467  -1.028  12.399
  114   2H4     C  11          2H4         C  11  10.058  -0.578  13.325
  115    H6     C  11           H6         C  11  11.554  -5.667  12.501
  116   1H2*    C  11          1H2*        C  11   9.908  -7.068  11.845
  117   2H2*    C  11          2H2*        C  11   8.313  -7.565  12.394
  118   1H5*    G  12          1H5*        G  12   6.677  -8.160  14.382
  119   2H5*    G  12          2H5*        G  12   5.427  -9.411  14.222
  120    H4*    G  12           H4*        G  12   4.179  -7.560  13.854
  121    H3*    G  12           H3*        G  12   4.684  -8.925  11.459
  122    H1*    G  12           H1*        G  12   4.451  -5.120  12.013
  123    H8     G  12           H8         G  12   7.873  -6.248  10.598
  124    H1     G  12           H1         G  12   7.152   0.059  11.526
  125   1H2     G  12          H21         G  12   4.079  -0.809  12.863
  126   2H2     G  12          H22         G  12   5.203   0.471  12.463
  127   1H2*    G  12          1H2*        G  12   5.916  -7.232  10.360
  128   2H2*    G  12          2H2*        G  12   4.318  -6.548  10.100
  129   1H5*    C  13          1H5*        C  13   1.220  -6.276  12.246
  130   2H5*    C  13          2H5*        C  13  -0.333  -7.055  11.882
  131    H4*    C  13           H4*        C  13  -0.762  -4.764  11.842
  132    H3*    C  13           H3*        C  13  -1.303  -6.150   9.566
  133    H1*    C  13           H1*        C  13   0.508  -2.705   9.477
  134   1H4     C  13          1H4         C  13   6.633  -4.091   7.329
  135   2H4     C  13          2H4         C  13   6.487  -2.354   7.442
  136    H6     C  13           H6         C  13   2.545  -5.739   8.780
  137   1H2*    C  13          1H2*        C  13   0.574  -5.496   8.254
  138   2H2*    C  13          2H2*        C  13  -0.503  -4.156   7.887
  139   1H5*    G  14          1H5*        G  14  -2.188  -2.142   9.686
  140   2H5*    G  14          2H5*        G  14  -3.765  -1.328   9.747
  141    H4*    G  14           H4*        G  14  -2.654   0.182   8.504
  142    H3*    G  14           H3*        G  14  -4.219  -1.484   6.824
  143    H1*    G  14           H1*        G  14  -0.820   0.197   6.203
  144    H8     G  14           H8         G  14  -0.713  -3.659   5.785
  145    H1     G  14           H1         G  14   4.690  -0.502   4.359
  146   1H2     G  14          H21         G  14   2.961   2.300   5.436
  147   2H2     G  14          H22         G  14   4.454   1.646   4.802
  148   1H2*    G  14          1H2*        G  14  -2.480  -2.253   5.439
  149   2H2*    G  14          2H2*        G  14  -2.549  -0.630   4.768
  150   1H5*  DFC  15          1H5*      DFC  15  -4.029  -0.119   3.600
  151   2H5*  DFC  15          2H5*      DFC  15  -5.332   0.610   2.640
  152    H4*  DFC  15           H4*      DFC  15  -4.032   2.394   1.973
  153    H3*  DFC  15           H3*      DFC  15  -2.961   2.606   4.462
  154   1H2*  DFC  15          1H2*      DFC  15  -1.309   0.894   4.313
  155   2H2*  DFC  15          2H2*      DFC  15  -0.389   2.239   3.656
  156    H1*  DFC  15           H1*      DFC  15  -0.804   1.612   1.393
  157   1H4   DFC  15          1H4       DFC  15   0.788  -4.763   2.200
  158   2H4   DFC  15          2H4       DFC  15   2.217  -3.953   1.598
  159    H5   DFC  15           H5       DFC  15  -1.257  -3.581   2.742
  160    H6   DFC  15           H6       DFC  15  -2.332  -1.394   2.827
  161   1H5*  DFG  16          1H5*      DFG  16  -3.732   6.545   1.473
  162   2H5*  DFG  16          2H5*      DFG  16  -4.166   4.847   1.185
  163    H4*  DFG  16           H4*      DFG  16  -6.020   6.972   2.264
  164    H3*  DFG  16           H3*      DFG  16  -5.339   7.050  -0.306
  165   1H2*  DFG  16          1H2*      DFG  16  -5.716   4.752  -0.873
  166   2H2*  DFG  16          2H2*      DFG  16  -7.269   5.449  -1.309
  167    H1*  DFG  16           H1*      DFG  16  -8.322   4.727   0.699
  168    H8   DFG  16           H8       DFG  16  -8.919   2.334   1.455
  169    H1   DFG  16           H1       DFG  16  -3.409   0.089  -0.935
  170    H21  DFG  16           H21      DFG  16  -2.617   3.427  -1.402
  171    H22  DFG  16           H22      DFG  16  -2.112   1.758  -1.559
  172   1H5*    C  17          1H5*        C  17  -7.269   9.424  -3.655
  173   2H5*    C  17          2H5*        C  17  -8.014   7.829  -3.887
  174    H4*    C  17           H4*        C  17  -5.219   8.740  -4.414
  175    H3*    C  17           H3*        C  17  -7.194   8.306  -6.192
  176    H1*    C  17           H1*        C  17  -4.592   5.552  -5.462
  177   1H4     C  17          1H4         C  17  -7.729   0.776  -2.094
  178   2H4     C  17          2H4         C  17  -6.247   0.106  -2.732
  179    H6     C  17           H6         C  17  -7.772   5.187  -3.550
  180   1H2*    C  17          1H2*        C  17  -7.605   5.992  -5.705
  181   2H2*    C  17          2H2*        C  17  -6.418   5.849  -6.993
  182   1H5*    G  18          1H5*        G  18  -3.021   7.948  -7.482
  183   2H5*    G  18          2H5*        G  18  -2.406   9.323  -8.423
  184    H4*    G  18           H4*        G  18  -1.093   7.644  -9.216
  185    H3*    G  18           H3*        G  18  -2.776   8.543 -11.112
  186    H1*    G  18           H1*        G  18  -2.418   4.697 -10.518
  187    H8     G  18           H8         G  18  -5.728   6.233  -9.236
  188    H1     G  18           H1         G  18  -5.131  -0.118  -8.563
  189   1H2     G  18          H21         G  18  -1.964   0.353  -9.861
  190   2H2     G  18          H22         G  18  -3.144  -0.778  -9.236
  191   1H2*    G  18          1H2*        G  18  -4.488   6.888 -10.941
  192   2H2*    G  18          2H2*        G  18  -3.442   6.114 -12.122
  193   1H5*    C  19          1H5*        C  19   0.156   5.317 -13.139
  194   2H5*    C  19          2H5*        C  19   0.487   5.836 -14.805
  195    H4*    C  19           H4*        C  19  -0.073   3.473 -14.687
  196    H3*    C  19           H3*        C  19  -1.205   5.220 -16.535
  197    H1*    C  19           H1*        C  19  -2.898   2.308 -14.757
  198   1H4     C  19          1H4         C  19  -8.040   4.701 -11.306
  199   2H4     C  19          2H4         C  19  -8.044   2.964 -11.135
  200    H6     C  19           H6         C  19  -4.310   5.645 -13.905
  201   1H2*    C  19          1H2*        C  19  -3.421   5.186 -15.671
  202   2H2*    C  19          2H2*        C  19  -3.489   3.722 -16.639
  203   1H5*    G  20          1H5*        G  20  -0.693   0.682 -17.422
  204   2H5*    G  20          2H5*        G  20  -0.166   0.485 -19.106
  205    H4*    G  20           H4*        G  20  -1.294  -1.489 -18.526
  206    H3*    G  20           H3*        G  20  -2.168  -0.150 -20.706
  207    H1*    G  20           H1*        G  20  -4.692  -1.486 -18.059
  208    H8     G  20           H8         G  20  -4.175   2.352 -17.949
  209    H1     G  20           H1         G  20  -8.802   0.021 -14.170
  210   1H2     G  20          H21         G  20  -7.763  -3.068 -15.329
  211   2H2     G  20          H22         G  20  -8.865  -2.175 -14.306
  212    H3T    G  20           H3T        G  20  -3.091  -2.571 -19.552
  213   1H2*    G  20          1H2*        G  20  -4.045   0.967 -19.748
  214   2H2*    G  20          2H2*        G  20  -4.817  -0.534 -20.239
  215   1HC   CH3   1          1HC       CH3   1 -12.827   2.816 -12.086
  216   2HC   CH3   1          2HC       CH3   1 -11.785   2.752 -10.645
  217   3HC   CH3   1          3HC       CH3   1 -13.397   1.998 -10.612
  218   1HC   CH3   3          1HC       CH3   3  -7.865  -4.773  -5.825
  219   2HC   CH3   3          2HC       CH3   3  -8.741  -3.373  -6.487
  220   3HC   CH3   3          3HC       CH3   3  -7.631  -3.159  -5.113
  221   1HC   CH3   7          1HC       CH3   7  10.156  -1.345   1.810
  222   2HC   CH3   7          2HC       CH3   7   8.770  -2.413   1.486
  223   3HC   CH3   7          3HC       CH3   7   9.439  -2.299   3.131
  224   1HC   CH3   9          1HC       CH3   9  10.254   3.953   9.634
  225   2HC   CH3   9          2HC       CH3   9  10.822   3.874  11.319
  226   3HC   CH3   9          3HC       CH3   9  10.053   5.358  10.708
  227   1HC   CH3  11          1HC       CH3  11  12.880  -2.536  12.219
  228   2HC   CH3  11          2HC       CH3  11  11.737  -2.788  10.879
  229   3HC   CH3  11          3HC       CH3  11  12.752  -4.134  11.448
  230   1HC   CH3  13          1HC       CH3  13   5.043  -5.601   6.575
  231   2HC   CH3  13          2HC       CH3  13   4.302  -6.657   7.801
  232   3HC   CH3  13          3HC       CH3  13   5.869  -5.880   8.126
  233   1HC   CH3  17          1HC       CH3  17  -9.314   2.432  -3.242
  234   2HC   CH3  17          2HC       CH3  17  -8.603   2.377  -1.611
  235   3HC   CH3  17          3HC       CH3  17  -9.152   3.927  -2.290
  236   1HC   CH3  19          1HC       CH3  19  -7.508   6.006 -13.235
  237   2HC   CH3  19          2HC       CH3  19  -6.798   6.282 -11.627
  238   3HC   CH3  19          3HC       CH3  19  -5.963   6.874 -13.082