*HEADER    DNA/RNA                                 10-FEB-00   1EFS              
*TITLE     CONFORMATION OF A DNA-RNA HYBRID                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA (5'-D(*GP*AP*GP*AP*GP*GP*AP*AP*GP*AP*GP*AP*A)          
*COMPND   3 -3');                                                                
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MOL_ID: 2;                                                           
*COMPND   7 MOLECULE: RNA (5'-R(*UP*UP*CP*UP*CP*UP*UP*CP*CP*UP*CP*UP*C)          
*COMPND   8 -3');                                                                
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 MOL_ID: 2;                                                           
*SOURCE   4 SYNTHETIC: YES                                                       
*KEYWDS    RNA-DNA HYBRID DUPLEX                                                 
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    V.LARUE, E.HANTZ                                                      
*REVDAT   1   06-MAR-00 1EFS    0                                                


d H1' H4' 10 10 2.4309 2.9711
d H1' H4' 11 11 2.9358 3.5882
d H1' H4' 12 12 2.3553 2.8787
d H1' H4' 2 2 2.6694 3.2626
d H1' H4' 3 3 2.4759 3.0261
d H1' H4' 4 4 2.6118 3.1922
d H1' H4' 5 5 2.5911 3.1669
d H1' H4' 6 6 2.6559 3.2461
d H1' H4' 7 7 2.4939 3.0481
d H1' H4' 8 8 2.556 3.124
d H1' H4' 9 9 2.5569 3.1251
d H2'  HC8  9 9 2.325  2.725
d HC8  H2'  10 10 2.442 2.842
d HC8  H2'  12 12 2.355 2.755
d HC8  H2'  2 2  2.356 2.556
d HC8  H2'  3 3 2.390 2.790
d HC8  H2'  4 4 2.394 2.594
d HC8  H2'  5 5 2.464 2.864
d HC8  H2'  8 8 2.454 2.854
d HC8  H2"  10 10 2.491 2.891
d HC8  H2"  12 12 2.367 2.567
d HC8  H2"  2 2 2.378 2.778
d HC8  H2"  3 3 2.552 2.952
d HC8  H2"  4 4 2.351 2.551
d HC8  H2"  5 5 2.453 2.853
d HC8  H2"  6 6 2.636  3.036
d HC8  H2"  8 8 2.612 3.012
d HC8  H2"  9 9 2.583 2.983
d H4'  HC8  10 10 2.998 3.798
d H4'  HC8  2 2 2.682 3.482
d H4'  HC8  3 3 3.635 4.435
d H4'  HC8  5 5 3.042 3.842
d H4'  HC8  6 6 3.103 3.903
d H4'  HC8  8 8 3.231 4.031
d H1'  HC8  10 10 2.712 3.512
d H1'  HC8  6 6 2.943 3.743
d H1'  HC8  9 9 2.902 3.702
d HC8  H1'  11 11 2.182 2.482
d HC8  H1'  12 12 2.435 2.835
d HC8  H1'  2 2 2.721 3.521
d HC8  H1'  3 3 2.855 3.655
d HC8  H1'  4 4 2.813 3.613
d HC8  H1'  5 5 2.871 3.671
d HC8  H1'  6 6 2.987 3.787
d HC8  H1'  8 8 3.124 3.924
d H1' H2" 10 10 2.472 2.872
d H1' H2" 2 2 2.331 2.531
d H1' H2" 3 3 2.240 2.440
d H1' H2" 5 5 2.338 2.538
d H1' H2" 7 7 2.176 2.376
d H1' H2" 8 8 2.308 2.708
d H1' H2" 9 9 2.390 2.590
d H2" H1' 12 12 2.268 2.468
d H2" H1' 4 4 2.069 2.369
d H2" H1' 5 5 2.248 2.448
d H2" H1' 6 6 2.017 2.217
d H2" H4' 10 10 2.716 3.516
d H2" H4' 12 12 2.641 3.041
d H2" H4' 7 7 2.429 2.829
d H2" H4' 8 8 2.708 3.508
d H4' H2" 2 2 3.018 3.818
d H4' H2" 4 4 2.372 2.772
d H2' H4' 3 3 2.661 3.061
d H2' H4' 4 4 3.201 4.001
d H2' H4' 5 5 3.102 3.902
d H2' H4' 6 6 2.995 3.795
d H2' H4' 7 7 2.652 3.052
d H2' H4' 8 8 2.831 3.631
d H4' H2' 2 2 3.100 3.900
d HC8 HC8 11 10 3.795 4.435
d HC8 HC8 2 3 3.517 4.157
d HC8 HC8 4 3 3.423 4.063
d HC8 HC8 4 5 3.037 3.677
d HC8 HC8 6 7 3.437 4.077
d HC8 HC8 7 8 4.409 5.049
d HC8 HC8 9 10 3.838 4.478
d HC8 HC8 9 8 3.899 4.539
d H1' HC8 10 11 2.869 3.509
d H1' HC8 8 9 2.819 3.459
d H1' HC8 9 10 2.672 3.312
d HC8 H1' 11 10 3.074 3.714
d HC8 H1' 3 2 2.658 3.298
d HC8 H1' 4 3 2.568 3.208
d HC8 H1' 5 4 2.843 3.483
d HC8 H1' 6 5 2.786 3.426
d HC8 H1' 8 7 2.756 3.396
d H2' HC8 4 5 2.519 3.159
d HC8 H2' 10 9 2.481 3.121
d HC8 H2' 11 10 2.464 3.104
d HC8 H2' 7 6 2.378 3.018
d HC8 H2' 8 7 2.672 3.312
d HC8 H2' 9 8 2.628 3.268
d HC2 H1' 10 22 2.954 3.594
d HC2 H1' 10 9 2.729 3.369
d HC2 H1' 12 24 2.911 3.551
d HC2 H1' 2 3 3.462 4.102
d HC2 H1' 4 16 2.706 3.346
d HC2 H1' 4 5 3.329 3.969
d HC2 H1' 7 19 2.948 3.588
d HC2 H1' 8 20 2.929 3.569
d H2' H1' 11 12 1.991 2.631
d HC8 H2" 10 9 2.55 3.19
d HC8 H2" 3 2 2.555 3.195
d HC8 H2" 3 4 2.66 3.3
d HC8 H2" 5 4 2.554 3.194
d HC8 H2" 6 5 2.384 3.024
d HC8 H2" 8 7 2.5 3.14
d HC8 H2" 9 8 2.582 3.222
d H1N6 HN3 12 25 2.3 2.7
d H2N6 HN3 12 25 2.3 2.7
d H1N6 HN3 10 23 2.3 2.7
d H2N6 HN3 10 23 2.3 2.7
d H1N6 HN3 8 21 2.3 2.7
d H2N6 HN3 8 21 2.3 2.7
d H1N6 HN3 4 17 2.3 2.7
d H2N6 HN3 4 17 2.3 2.7
d H1N6 HN3 2 15 2.3 2.7
d H2N6 HN3 2 15 2.3 2.7
d HN1 H1N4 11 24 2.3 2.7
d HN1 H2N4 11 24 2.3 2.7
d HN1 H1N4 9 22 2.3 2.7
d HN1 H2N4 9 22 2.3 2.7
d HN1 H1N4 6 19 2.3 2.7
d HN1 H2N4 6 19 2.3 2.7
d HN1 H1N4 5 18 2.3 2.7
d HN1 H2N4 5 18 2.3 2.7
d HN1 H1N4 3 16 2.3 2.7
d HN1 H2N4 3 16 2.3 2.7
d HN1 H1N4 1 14 2.3 2.7
d HN1 H2N4 1 14 2.3 2.7
d HC2 HN3 7 20 2.7 3.3
d HC2 HN3 8 21 2.71 3.12
d HC2 HN3 12 25 2.6 3.0 
d HC2 HN3 13 26 2.6 3.0
d HC2 HN3 2 15 2.6 3.0
d HC2 HN3 10 23 2.6 3.0
d HC2 HN3 4 17 2.6 3.0
d HC2 HN3 8 20 3.42 4.22
d HC2 HN3 13 25 3.8 4.2
d HN3 HN1 23 11 3.6 4.2
d HN3 HN1 21 9 3.3 3.7
d HN3 HN1 17 5 3.3 3.7
d HN3 HN1 15 3 3.3 3.7
d HN3 HN1 25 11 3.6 4.3
d HN3 HN1 23 9 3.6 4.3
d HN3 HN1 20 6 3.6 4.3
d HN3 HN1 17 3 3.6 4.3
d HN3 HN1 15 1 3.6 4.3
d HN1 H1N4 6 18 3.8 4.2
d HN1 H2N4 6 18 3.8 4.2
d H1N4 HN1 19 5 4.1 4.5
d H2N4 HN1 19 5 4.1 4.5
d HC2 HN3 7 21 4.0 5.0
t2 C4' C3' O3' P 2 2 2 2 -45 -37
-  C3' O3' P O5' 2 2 2 2 
t2 C4' C3' O3' P 3 3 3 3 -50 -42
-  C3' O3' P O5' 3 3 3 3 
t2 C4' C3' O3' P 4 4 4 4 -44 -36 
-  C3' O3' P O5' 4 4 4 4
t2 C4' C3' O3' P 5 5 5 5 -49 -41
-  C3' O3' P O5' 5 5 5 5
t2 C4' C3' O3' P 6 6 6 6 -49 -41
-  C3' O3' P O5' 6 6 6 6 
t2 C4' C3' O3' P 7 7 7 7 -59 -49
-  C3' O3' P O5' 7 7 7 7
t2 C4' C3' O3' P 8 8 8 8 -60 -50
-  C3' O3' P O5' 8 8 8 8
t2 C4' C3' O3' P 9 9 9 9 -59 -49
-  C3' O3' P O5' 9 9 9 9
t2 C4' C3' O3' P 10 10 10 10 -60 -50
-  C3' O3' P O5' 10 10 10 10
t2 C4' C3' O3' P 11 11 11 11 -67 -55
-  C3' O3' P O5' 11 11 11 11
t2 C4' C3' O3' P 12 12 12 12 -50 -42
-  C3' O3' P O5' 12 12 12 12 


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1   6.313  -9.986   2.671
    2   2H5*    G   1          2H5*        G   1   4.912  -9.540   1.664
    3    H4*    G   1           H4*        G   1   7.237  -8.659   0.945
    4    H3*    G   1           H3*        G   1   7.353  -7.557   3.500
    5    H1*    G   1           H1*        G   1   6.760  -5.669   0.294
    6    H8     G   1           H8         G   1   3.101  -6.552   0.652
    7    H1     G   1           H1         G   1   4.146  -0.239  -0.076
    8   1H2     G   1          1H2         G   1   6.274   0.213   0.150
    9   2H2     G   1          2H2         G   1   7.480  -1.033   0.485
   10   1H2*    G   1          1H2*        G   1   5.606  -5.995   3.125
   11   2H2*    G   1          2H2*        G   1   7.044  -5.024   2.504
   12   3H5*    G   1          3H5*        G   1   5.209  -8.687   3.191
   13   1H5*    A   2          2H5*        A   2   9.597  -3.841   1.294
   14   2H5*    A   2          1H5*        A   2  11.116  -4.018   2.210
   15    H4*    A   2           H4*        A   2  10.559  -1.741   2.445
   16    H3*    A   2           H3*        A   2  10.460  -3.223   4.794
   17    H1*    A   2           H1*        A   2   8.288  -0.420   3.886
   18    H8     A   2           H8         A   2   5.814  -3.456   3.849
   19   1H6     A   2          1H6         A   2   1.399   0.811   2.991
   20   2H6     A   2          2H6         A   2   1.731  -0.906   3.242
   21    H2     A   2           H2         A   2   5.386   2.882   2.975
   22   1H2*    A   2          1H2*        A   2   8.053  -3.395   4.688
   23   2H2*    A   2          2H2*        A   2   8.293  -1.905   5.747
   24   1H5*    G   3          2H5*        G   3  10.447   1.421   4.689
   25   2H5*    G   3          1H5*        G   3  11.592   1.968   5.940
   26    H4*    G   3           H4*        G   3   9.981   3.736   5.455
   27    H3*    G   3           H3*        G   3  10.389   2.838   8.065
   28    H1*    G   3           H1*        G   3   7.237   4.035   6.579
   29    H8     G   3           H8         G   3   6.620   0.147   6.766
   30    H1     G   3           H1         G   3   1.416   3.855   5.968
   31   1H2     G   3          1H2         G   3   1.987   5.964   5.882
   32   2H2     G   3          2H2         G   3   3.664   6.501   6.020
   33   1H2*    G   3          1H2*        G   3   8.348   1.573   8.075
   34   2H2*    G   3          2H2*        G   3   7.776   3.198   8.729
   35   1H5*    A   4          2H5*        A   4   7.858   6.974   7.427
   36   2H5*    A   4          1H5*        A   4   8.664   8.053   8.593
   37    H4*    A   4           H4*        A   4   6.332   8.697   8.454
   38    H3*    A   4           H3*        A   4   7.429   7.945  10.920
   39    H1*    A   4           H1*        A   4   3.956   7.410   9.669
   40    H8     A   4           H8         A   4   5.518   3.802   9.736
   41   1H6     A   4          1H6         A   4  -0.314   1.851   8.959
   42   2H6     A   4          2H6         A   4   1.367   1.354   9.178
   43    H2     A   4           H2         A   4  -0.319   6.344   8.977
   44   1H2*    A   4          1H2*        A   4   6.308   5.840  10.897
   45   2H2*    A   4          2H2*        A   4   5.029   6.894  11.702
   46   1H5*    G   5          2H5*        G   5   3.265  10.208  10.857
   47   2H5*    G   5          1H5*        G   5   3.440  11.537  12.031
   48    H4*    G   5           H4*        G   5   1.134  10.900  12.055
   49    H3*    G   5           H3*        G   5   2.570  10.651  14.428
   50    H1*    G   5           H1*        G   5  -0.151   8.471  13.250
   51    H8     G   5           H8         G   5   3.007   6.163  12.799
   52    H1     G   5           H1         G   5  -2.739   3.294  12.335
   53   1H2     G   5          1H2         G   5  -4.346   4.762  12.549
   54   2H2     G   5          2H2         G   5  -4.033   6.481  12.810
   55   1H2*    G   5          1H2*        G   5   2.798   8.271  14.144
   56   2H2*    G   5          2H2*        G   5   1.263   8.389  15.157
   57   1H5*    G   6          2H5*        G   6  -2.241  10.361  14.392
   58   2H5*    G   6          1H5*        G   6  -2.625  11.511  15.698
   59    H4*    G   6           H4*        G   6  -4.462   9.944  15.472
   60    H3*    G   6           H3*        G   6  -3.171  10.243  17.925
   61    H1*    G   6           H1*        G   6  -4.556   7.054  16.510
   62    H8     G   6           H8         G   6  -0.644   6.729  16.161
   63    H1     G   6           H1         G   6  -4.050   1.294  15.579
   64   1H2     G   6          1H2         G   6  -6.187   1.706  15.790
   65   2H2     G   6          2H2         G   6  -6.818   3.331  16.078
   66   1H2*    G   6          1H2*        G   6  -1.989   8.188  17.772
   67   2H2*    G   6          2H2*        G   6  -3.560   7.605  18.541
   68   1H5*    A   7          2H5*        A   7  -7.395   7.989  18.044
   69   2H5*    A   7          1H5*        A   7  -8.227   8.387  19.569
   70    H4*    A   7           H4*        A   7  -8.489   5.996  18.935
   71    H3*    A   7           H3*        A   7  -7.086   6.742  21.465
   72    H1*    A   7           H1*        A   7  -7.206   3.703  19.029
   73    H8     A   7           H8         A   7  -3.707   5.348  19.295
   74   1H6     A   7          1H6         A   7  -1.445  -0.394  18.715
   75   2H6     A   7          2H6         A   7  -1.044   1.324  18.792
   76    H2     A   7           H2         A   7  -5.914  -0.669  19.098
   77   1H2*    A   7          1H2*        A   7  -5.919   4.796  21.541
   78   2H2*    A   7          2H2*        A   7  -7.475   3.855  21.240
   79   1H5*    A   8          2H5*        A   8 -10.144   3.582  21.377
   80   2H5*    A   8          1H5*        A   8 -11.309   3.595  22.726
   81    H4*    A   8           H4*        A   8 -10.657   1.295  22.180
   82    H3*    A   8           H3*        A   8 -10.436   2.316  24.787
   83    H1*    A   8           H1*        A   8  -8.228  -0.190  23.087
   84    H8     A   8           H8         A   8  -6.021   3.042  23.476
   85   1H6     A   8          1H6         A   8  -1.288  -0.670  21.973
   86   2H6     A   8          2H6         A   8  -1.760   0.970  22.431
   87    H2     A   8           H2         A   8  -5.071  -3.093  21.868
   88   1H2*    A   8          1H2*        A   8  -8.068   2.417  24.720
   89   2H2*    A   8          2H2*        A   8  -8.299   0.671  25.264
   90   1H5*    G   9          2H5*        G   9  -9.948  -2.479  24.190
   91   2H5*    G   9          1H5*        G   9 -11.116  -3.070  25.399
   92    H4*    G   9           H4*        G   9  -9.369  -4.704  25.251
   93    H3*    G   9           H3*        G   9  -9.808  -3.457  27.710
   94    H1*    G   9           H1*        G   9  -6.546  -4.575  26.313
   95    H8     G   9           H8         G   9  -6.393  -0.652  25.972
   96    H1     G   9           H1         G   9  -0.809  -3.812  25.413
   97   1H2     G   9          1H2         G   9  -1.128  -5.966  25.612
   98   2H2     G   9          2H2         G   9  -2.725  -6.669  25.888
   99   1H2*    G   9          1H2*        G   9  -7.877  -2.064  27.508
  100   2H2*    G   9          2H2*        G   9  -7.156  -3.543  28.337
  101   1H5*    A  10          2H5*        A  10  -6.862  -7.341  27.450
  102   2H5*    A  10          1H5*        A  10  -7.619  -8.321  28.732
  103    H4*    A  10           H4*        A  10  -5.298  -8.965  28.559
  104    H3*    A  10           H3*        A  10  -6.289  -8.071  30.993
  105    H1*    A  10           H1*        A  10  -2.860  -7.333  29.630
  106    H8     A  10           H8         A  10  -4.901  -3.985  29.331
  107   1H6     A  10          1H6         A  10   0.604  -1.365  28.207
  108   2H6     A  10          2H6         A  10  -1.128  -1.078  28.407
  109    H2     A  10           H2         A  10   1.224  -5.784  28.731
  110   1H2*    A  10          1H2*        A  10  -5.318  -5.906  30.805
  111   2H2*    A  10          2H2*        A  10  -3.942  -6.821  31.621
  112   1H5*    G  11          2H5*        G  11  -1.856 -10.094  30.827
  113   2H5*    G  11          1H5*        G  11  -2.004 -11.239  32.185
  114    H4*    G  11           H4*        G  11   0.332 -10.631  31.900
  115    H3*    G  11           H3*        G  11  -0.933 -10.294  34.357
  116    H1*    G  11           H1*        G  11   1.627  -7.922  32.849
  117    H8     G  11           H8         G  11  -1.914  -6.234  32.466
  118    H1     G  11           H1         G  11   3.202  -2.385  31.775
  119   1H2     G  11          1H2         G  11   5.053  -3.523  32.020
  120   2H2     G  11          2H2         G  11   5.064  -5.257  32.360
  121   1H2*    G  11          1H2*        G  11  -1.126  -7.944  34.204
  122   2H2*    G  11          2H2*        G  11   0.580  -8.064  34.893
  123   1H5*    A  12          2H5*        A  12   3.810  -9.345  34.514
  124   2H5*    A  12          1H5*        A  12   4.352 -10.296  35.920
  125    H4*    A  12           H4*        A  12   5.547  -8.184  35.906
  126    H3*    A  12           H3*        A  12   3.880  -8.882  38.111
  127    H1*    A  12           H1*        A  12   4.850  -5.540  36.654
  128    H8     A  12           H8         A  12   0.956  -5.706  36.701
  129   1H6     A  12          1H6         A  12   1.161  -0.040  34.194
  130   2H6     A  12          2H6         A  12   0.112  -1.301  34.851
  131    H2     A  12           H2         A  12   5.360  -1.615  34.469
  132   1H2*    A  12          1H2*        A  12   2.423  -7.075  37.762
  133   2H2*    A  12          2H2*        A  12   3.769  -6.164  38.632
  134   1H5*    A  13          2H5*        A  13   8.262  -6.709  38.860
  135   2H5*    A  13          1H5*        A  13   8.549  -6.828  40.615
  136    H4*    A  13           H4*        A  13   9.560  -4.782  39.763
  137    H3*    A  13           H3*        A  13   7.039  -4.338  41.381
  138    H1*    A  13           H1*        A  13   8.136  -2.124  38.411
  139    H8     A  13           H8         A  13   5.229  -4.492  39.419
  140   1H6     A  13          1H6         A  13   1.467   0.050  37.509
  141   2H6     A  13          2H6         A  13   1.554  -1.616  38.089
  142    H2     A  13           H2         A  13   5.693   1.570  37.382
  143    H3T    A  13           H3T        A  13   8.683  -3.518  42.802
  144   1H2*    A  13          1H2*        A  13   7.320  -1.990  41.076
  145   2H2*    A  13          2H2*        A  13   9.044  -2.219  40.464
  146   1H5*    U  26          1H5*        U  26   0.706  10.084  35.699
  147   2H5*    U  26          2H5*        U  26  -0.127   9.224  37.019
  148    H4*    U  26           H4*        U  26   2.447   9.454  37.172
  149    H3*    U  26           H3*        U  26   2.204   7.304  35.037
  150    H2*    U  26           H2*        U  26   4.122   6.267  36.061
  151   2HO*    U  26          2HO*        U  26   5.232   8.284  36.566
  152    H1*    U  26           H1*        U  26   3.218   6.634  38.664
  153    H3     U  26           H3         U  26   2.926   2.174  37.395
  154    H5     U  26           H5         U  26  -0.817   3.934  36.550
  155    H6     U  26           H6         U  26   0.174   6.094  36.984
  156   3H5*    U  26          3H5*        U  26   0.172   8.398  35.478
  157   1H5*    U  25          2H5*        U  25   6.362   8.308  34.573
  158   2H5*    U  25          1H5*        U  25   6.766   8.161  32.844
  159    H4*    U  25           H4*        U  25   7.931   6.514  34.405
  160    H3*    U  25           H3*        U  25   6.145   5.380  32.207
  161    H2*    U  25           H2*        U  25   7.119   3.241  32.842
  162   2HO*    U  25          2HO*        U  25   9.258   4.018  33.354
  163    H1*    U  25           H1*        U  25   6.755   3.714  35.551
  164    H3     U  25           H3         U  25   3.579   0.654  34.265
  165    H5     U  25           H5         U  25   1.904   4.439  33.438
  166    H6     U  25           H6         U  25   4.056   5.425  33.923
  167   1H5*    C  24          2H5*        C  24  10.215   3.564  31.373
  168   2H5*    C  24          1H5*        C  24  10.166   3.228  29.624
  169    H4*    C  24           H4*        C  24  10.425   1.232  31.278
  170    H3*    C  24           H3*        C  24   8.214   1.214  29.171
  171    H2*    C  24           H2*        C  24   7.954  -1.117  29.835
  172   2HO*    C  24          2HO*        C  24  10.232  -1.527  30.242
  173    H1*    C  24           H1*        C  24   8.033  -0.487  32.542
  174   1H4     C  24          1H4         C  24   1.834  -0.361  31.006
  175   2H4     C  24          2H4         C  24   1.966   1.351  30.591
  176    H5     C  24           H5         C  24   4.081   2.538  30.558
  177    H6     C  24           H6         C  24   6.506   2.316  30.922
  178   1H5*    U  23          2H5*        U  23  10.584  -2.500  28.280
  179   2H5*    U  23          1H5*        U  23  10.304  -2.776  26.542
  180    H4*    U  23           H4*        U  23   9.483  -4.565  28.248
  181    H3*    U  23           H3*        U  23   7.548  -3.401  26.190
  182    H2*    U  23           H2*        U  23   6.099  -5.232  26.921
  183   2HO*    U  23          2HO*        U  23   7.854  -6.765  27.326
  184    H1*    U  23           H1*        U  23   6.548  -4.656  29.596
  185    H3     U  23           H3         U  23   2.341  -3.139  28.485
  186    H5     U  23           H5         U  23   4.984   0.034  27.607
  187    H6     U  23           H6         U  23   6.826  -1.481  27.989
  188   1H5*    C  22          2H5*        C  22   7.447  -7.734  25.354
  189   2H5*    C  22          1H5*        C  22   7.129  -7.861  23.605
  190    H4*    C  22           H4*        C  22   5.404  -8.892  25.236
  191    H3*    C  22           H3*        C  22   4.483  -6.842  23.167
  192    H2*    C  22           H2*        C  22   2.247  -7.570  23.833
  193   2HO*    C  22          2HO*        C  22   3.030  -9.835  24.245
  194    H1*    C  22           H1*        C  22   2.864  -7.364  26.529
  195   1H4     C  22          1H4         C  22   0.572  -1.635  24.817
  196   2H4     C  22          2H4         C  22   2.228  -1.056  24.614
  197    H5     C  22           H5         C  22   4.161  -2.512  24.769
  198    H6     C  22           H6         C  22   4.893  -4.832  25.151
  199   1H5*    U  21          2H5*        U  21   1.885 -10.273  22.487
  200   2H5*    U  21          1H5*        U  21   1.718 -10.395  20.717
  201    H4*    U  21           H4*        U  21  -0.442 -10.115  22.092
  202    H3*    U  21           H3*        U  21   0.205  -8.098  19.898
  203    H2*    U  21           H2*        U  21  -2.017  -7.265  20.284
  204   2HO*    U  21          2HO*        U  21  -3.427  -8.851  20.790
  205    H1*    U  21           H1*        U  21  -1.846  -7.537  23.081
  206    H3     U  21           H3         U  21  -2.166  -3.058  22.018
  207    H5     U  21           H5         U  21   1.941  -4.015  21.818
  208    H6     U  21           H6         U  21   1.342  -6.346  22.033
  209   1H5*    U  20          2H5*        U  20  -3.622 -10.174  18.880
  210   2H5*    U  20          1H5*        U  20  -3.911 -10.068  17.125
  211    H4*    U  20           H4*        U  20  -5.659  -8.966  18.646
  212    H3*    U  20           H3*        U  20  -4.220  -7.210  16.602
  213    H2*    U  20           H2*        U  20  -5.949  -5.581  17.189
  214   2HO*    U  20          2HO*        U  20  -7.649  -7.184  17.565
  215    H1*    U  20           H1*        U  20  -5.547  -5.975  19.900
  216    H3     U  20           H3         U  20  -3.511  -1.992  18.956
  217    H5     U  20           H5         U  20  -0.694  -4.942  17.868
  218    H6     U  20           H6         U  20  -2.400  -6.613  18.236
  219   1H5*    C  19          2H5*        C  19  -8.509  -6.745  15.555
  220   2H5*    C  19          1H5*        C  19  -8.504  -6.477  13.793
  221    H4*    C  19           H4*        C  19  -9.486  -4.623  15.316
  222    H3*    C  19           H3*        C  19  -7.265  -3.930  13.336
  223    H2*    C  19           H2*        C  19  -7.862  -1.628  13.892
  224   2HO*    C  19          2HO*        C  19 -10.172  -2.051  14.160
  225    H1*    C  19           H1*        C  19  -7.893  -2.174  16.618
  226   1H4     C  19          1H4         C  19  -1.946  -0.223  15.257
  227   2H4     C  19          2H4         C  19  -1.440  -1.912  15.154
  228    H5     C  19           H5         C  19  -3.002  -3.763  15.264
  229    H6     C  19           H6         C  19  -5.379  -4.366  15.496
  230   1H5*    C  18          2H5*        C  18 -10.740  -1.289  12.219
  231   2H5*    C  18          1H5*        C  18 -10.546  -1.033  10.467
  232    H4*    C  18           H4*        C  18 -10.506   1.032  12.061
  233    H3*    C  18           H3*        C  18  -8.264   0.572  10.041
  234    H2*    C  18           H2*        C  18  -7.580   2.828  10.654
  235   2HO*    C  18          2HO*        C  18  -9.720   3.711  10.967
  236    H1*    C  18           H1*        C  18  -7.861   2.319  13.372
  237   1H4     C  18          1H4         C  18  -1.770   0.956  11.954
  238   2H4     C  18          2H4         C  18  -2.211  -0.745  11.766
  239    H5     C  18           H5         C  18  -4.506  -1.524  11.839
  240    H6     C  18           H6         C  18  -6.851  -0.823  12.109
  241   1H5*    U  17          2H5*        U  17  -9.976   4.501   8.925
  242   2H5*    U  17          1H5*        U  17  -9.762   4.662   7.163
  243    H4*    U  17           H4*        U  17  -8.612   6.418   8.657
  244    H3*    U  17           H3*        U  17  -6.902   4.777   6.732
  245    H2*    U  17           H2*        U  17  -5.171   6.406   7.296
  246   2HO*    U  17          2HO*        U  17  -6.625   8.245   7.532
  247    H1*    U  17           H1*        U  17  -5.688   6.183  10.012
  248    H3     U  17           H3         U  17  -1.782   3.921   9.051
  249    H5     U  17           H5         U  17  -4.905   1.122   8.560
  250    H6     U  17           H6         U  17  -6.480   2.941   8.773
  251   1H5*    C  16          2H5*        C  16  -6.211   8.908   5.413
  252   2H5*    C  16          1H5*        C  16  -5.984   8.825   3.647
  253    H4*    C  16           H4*        C  16  -4.031   9.759   5.035
  254    H3*    C  16           H3*        C  16  -3.536   7.330   3.252
  255    H2*    C  16           H2*        C  16  -1.192   7.759   3.748
  256   2HO*    C  16          2HO*        C  16  -1.254  10.070   3.802
  257    H1*    C  16           H1*        C  16  -1.688   8.120   6.463
  258   1H4     C  16          1H4         C  16  -0.222   1.931   5.737
  259   2H4     C  16          2H4         C  16  -1.946   1.551   5.653
  260    H5     C  16           H5         C  16  -3.668   3.256   5.577
  261    H6     C  16           H6         C  16  -4.082   5.684   5.566
  262   1H5*    U  15          2H5*        U  15  -0.737  10.550   1.696
  263   2H5*    U  15          1H5*        U  15  -0.481  10.120  -0.014
  264    H4*    U  15           H4*        U  15   1.574  10.164   1.581
  265    H3*    U  15           H3*        U  15   0.977   7.667  -0.074
  266    H2*    U  15           H2*        U  15   3.212   6.983   0.641
  267   2HO*    U  15          2HO*        U  15   4.082   9.206   0.641
  268    H1*    U  15           H1*        U  15   2.685   7.651   3.281
  269    H3     U  15           H3         U  15   2.536   3.059   2.880
  270    H5     U  15           H5         U  15  -1.370   4.426   2.043
  271    H6     U  15           H6         U  15  -0.505   6.682   2.017
  272   1H5*    C  14          2H5*        C  14   5.125   8.651  -1.269
  273   2H5*    C  14          1H5*        C  14   5.098   8.466  -3.041
  274    H4*    C  14           H4*        C  14   6.867   7.096  -1.888
  275    H3*    C  14           H3*        C  14   4.670   5.521  -3.303
  276    H2*    C  14           H2*        C  14   6.114   3.606  -2.907
  277   2HO*    C  14          2HO*        C  14   8.123   4.878  -3.222
  278    H1*    C  14           H1*        C  14   6.617   4.352  -0.272
  279   1H4     C  14          1H4         C  14   1.619   0.372  -0.014
  280   2H4     C  14          2H4         C  14   0.521   1.752  -0.113
  281    H5     C  14           H5         C  14   1.290   4.019  -0.502
  282    H6     C  14           H6         C  14   3.279   5.422  -0.874
  283    H3T    C  14           H3T        C  14   6.407   5.366  -4.837
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1   4.802 -10.704   0.837
    2   2H5*    G   1          2H5*        G   1   3.797  -9.858  -0.367
    3    H4*    G   1           H4*        G   1   6.195  -8.970   0.033
    4    H3*    G   1           H3*        G   1   5.458  -8.763   2.696
    5    H1*    G   1           H1*        G   1   5.755  -5.855   0.309
    6    H8     G   1           H8         G   1   2.145  -6.755  -0.610
    7    H1     G   1           H1         G   1   3.122  -0.489   0.509
    8   1H2     G   1          1H2         G   1   5.110  -0.166   1.360
    9   2H2     G   1          2H2         G   1   6.238  -1.490   1.669
   10   1H2*    G   1          1H2*        G   1   3.797  -7.102   2.322
   11   2H2*    G   1          2H2*        G   1   5.282  -6.037   2.567
   12   3H5*    G   1          3H5*        G   1   3.541  -9.559   1.362
   13   1H5*    A   2          2H5*        A   2   7.956  -4.663   1.625
   14   2H5*    A   2          1H5*        A   2   9.431  -5.309   2.388
   15    H4*    A   2           H4*        A   2   9.484  -2.980   2.827
   16    H3*    A   2           H3*        A   2   9.296  -4.619   5.041
   17    H1*    A   2           H1*        A   2   7.516  -1.355   4.668
   18    H8     A   2           H8         A   2   4.727  -4.089   4.609
   19   1H6     A   2          1H6         A   2   0.760   0.665   4.307
   20   2H6     A   2          2H6         A   2   0.917  -1.089   4.447
   21    H2     A   2           H2         A   2   4.939   2.298   4.082
   22   1H2*    A   2          1H2*        A   2   6.922  -4.323   5.234
   23   2H2*    A   2          2H2*        A   2   7.552  -2.989   6.339
   24   1H5*    G   3          2H5*        G   3  10.120  -0.087   5.272
   25   2H5*    G   3          1H5*        G   3  11.354   0.233   6.517
   26    H4*    G   3           H4*        G   3   9.919   2.206   6.113
   27    H3*    G   3           H3*        G   3  10.478   1.215   8.667
   28    H1*    G   3           H1*        G   3   7.312   2.776   7.469
   29    H8     G   3           H8         G   3   6.379  -1.020   7.936
   30    H1     G   3           H1         G   3   1.473   3.057   7.052
   31   1H2     G   3          1H2         G   3   2.216   5.091   6.748
   32   2H2     G   3          2H2         G   3   3.938   5.485   6.757
   33   1H2*    G   3          1H2*        G   3   8.316   0.222   8.875
   34   2H2*    G   3          2H2*        G   3   7.991   1.906   9.551
   35   1H5*    A   4          2H5*        A   4   8.269   5.608   8.288
   36   2H5*    A   4          1H5*        A   4   9.318   6.528   9.397
   37    H4*    A   4           H4*        A   4   7.099   7.492   9.478
   38    H3*    A   4           H3*        A   4   8.273   6.403  11.826
   39    H1*    A   4           H1*        A   4   4.634   6.621  10.738
   40    H8     A   4           H8         A   4   5.527   2.866  11.341
   41   1H6     A   4          1H6         A   4  -0.399   1.740   9.908
   42   2H6     A   4          2H6         A   4   1.121   1.032  10.464
   43    H2     A   4           H2         A   4   0.392   6.122   9.303
   44   1H2*    A   4          1H2*        A   4   6.666   4.709  12.026
   45   2H2*    A   4          2H2*        A   4   5.677   6.088  12.744
   46   1H5*    G   5          2H5*        G   5   4.385   9.228  12.265
   47   2H5*    G   5          1H5*        G   5   4.868  10.349  13.564
   48    H4*    G   5           H4*        G   5   2.504   9.946  13.780
   49    H3*    G   5           H3*        G   5   4.180   9.327  15.921
   50    H1*    G   5           H1*        G   5   1.108   7.581  14.906
   51    H8     G   5           H8         G   5   3.902   4.955  14.032
   52    H1     G   5           H1         G   5  -2.187   2.889  13.659
   53   1H2     G   5          1H2         G   5  -3.575   4.526  14.079
   54   2H2     G   5          2H2         G   5  -3.029   6.162  14.459
   55   1H2*    G   5          1H2*        G   5   4.093   6.975  15.420
   56   2H2*    G   5          2H2*        G   5   2.703   7.157  16.618
   57   1H5*    G   6          2H5*        G   6  -0.628   9.788  16.428
   58   2H5*    G   6          1H5*        G   6  -0.587  10.866  17.846
   59    H4*    G   6           H4*        G   6  -2.760   9.796  17.733
   60    H3*    G   6           H3*        G   6  -1.210   9.594  20.029
   61    H1*    G   6           H1*        G   6  -3.239   6.658  18.524
   62    H8     G   6           H8         G   6   0.627   6.222  17.913
   63    H1     G   6           H1         G   6  -3.072   1.092  16.701
   64   1H2     G   6          1H2         G   6  -5.178   1.570  17.050
   65   2H2     G   6          2H2         G   6  -5.714   3.164  17.589
   66   1H2*    G   6          1H2*        G   6  -0.536   7.370  19.744
   67   2H2*    G   6          2H2*        G   6  -2.191   7.051  20.490
   68   1H5*    A   7          2H5*        A   7  -5.604   7.769  20.608
   69   2H5*    A   7          1H5*        A   7  -6.103   8.067  22.292
   70    H4*    A   7           H4*        A   7  -6.598   5.749  21.579
   71    H3*    A   7           H3*        A   7  -4.467   6.103  23.697
   72    H1*    A   7           H1*        A   7  -5.570   3.460  21.056
   73    H8     A   7           H8         A   7  -1.867   4.669  21.409
   74   1H6     A   7          1H6         A   7  -0.363  -0.878  19.085
   75   2H6     A   7          2H6         A   7   0.253   0.690  19.617
   76    H2     A   7           H2         A   7  -4.816  -0.752  19.668
   77   1H2*    A   7          1H2*        A   7  -3.910   3.891  23.508
   78   2H2*    A   7          2H2*        A   7  -5.672   3.412  23.256
   79   1H5*    A   8          2H5*        A   8  -8.253   3.740  23.740
   80   2H5*    A   8          1H5*        A   8  -9.045   3.670  25.335
   81    H4*    A   8           H4*        A   8  -9.389   1.600  23.985
   82    H3*    A   8           H3*        A   8  -8.702   1.621  26.674
   83    H1*    A   8           H1*        A   8  -7.216  -0.771  24.068
   84    H8     A   8           H8         A   8  -4.551   1.941  25.074
   85   1H6     A   8          1H6         A   8  -0.520  -1.692  22.078
   86   2H6     A   8          2H6         A   8  -0.719  -0.212  23.022
   87    H2     A   8           H2         A   8  -4.605  -3.533  21.735
   88   1H2*    A   8          1H2*        A   8  -6.429   1.090  26.365
   89   2H2*    A   8          2H2*        A   8  -7.129  -0.615  26.342
   90   1H5*    G   9          2H5*        G   9  -8.947  -3.521  26.545
   91   2H5*    G   9          1H5*        G   9 -10.254  -3.391  27.749
   92    H4*    G   9           H4*        G   9  -8.633  -4.854  28.707
   93    H3*    G   9           H3*        G   9  -9.126  -2.465  30.037
   94    H1*    G   9           H1*        G   9  -5.601  -4.000  29.580
   95    H8     G   9           H8         G   9  -5.633  -0.406  28.345
   96    H1     G   9           H1         G   9  -0.878  -3.963  25.853
   97   1H2     G   9          1H2         G   9  -1.189  -6.079  26.309
   98   2H2     G   9          2H2         G   9  -2.575  -6.658  27.237
   99   1H2*    G   9          1H2*        G   9  -7.156  -1.377  29.373
  100   2H2*    G   9          2H2*        G   9  -6.488  -2.309  30.817
  101   1H5*    A  10          2H5*        A  10  -7.888  -6.839  31.466
  102   2H5*    A  10          1H5*        A  10  -8.471  -7.632  32.952
  103    H4*    A  10           H4*        A  10  -6.172  -7.312  33.349
  104    H3*    A  10           H3*        A  10  -7.901  -5.623  34.862
  105    H1*    A  10           H1*        A  10  -4.423  -5.261  33.711
  106    H8     A  10           H8         A  10  -5.712  -1.800  33.160
  107   1H6     A  10          1H6         A  10  -1.076  -0.890  29.147
  108   2H6     A  10          2H6         A  10  -2.359  -0.117  30.083
  109    H2     A  10           H2         A  10  -1.297  -5.280  30.076
  110   1H2*    A  10          1H2*        A  10  -7.079  -3.681  33.766
  111   2H2*    A  10          2H2*        A  10  -5.803  -3.866  35.083
  112   1H5*    G  11          2H5*        G  11  -3.442  -7.688  38.525
  113   2H5*    G  11          1H5*        G  11  -3.697  -5.929  38.397
  114    H4*    G  11           H4*        G  11  -3.622  -7.636  35.916
  115    H3*    G  11           H3*        G  11  -1.360  -7.406  37.613
  116    H1*    G  11           H1*        G  11  -2.083  -5.748  34.318
  117    H8     G  11           H8         G  11  -3.908  -2.994  35.930
  118    H1     G  11           H1         G  11   1.293  -0.835  32.805
  119   1H2     G  11          1H2         G  11   2.627  -2.495  32.306
  120   2H2     G  11          2H2         G  11   2.262  -4.169  32.734
  121   1H2*    G  11          1H2*        G  11  -0.953  -5.146  37.117
  122   2H2*    G  11          2H2*        G  11  -0.164  -5.899  35.631
  123   1H5*    A  12          2H5*        A  12   1.953  -8.879  38.005
  124   2H5*    A  12          1H5*        A  12   0.758  -7.570  38.198
  125    H4*    A  12           H4*        A  12   3.568  -7.238  37.093
  126    H3*    A  12           H3*        A  12   2.746  -7.316  39.830
  127    H1*    A  12           H1*        A  12   3.968  -4.552  37.623
  128    H8     A  12           H8         A  12   0.754  -3.207  39.281
  129   1H6     A  12          1H6         A  12   1.328   1.670  35.497
  130   2H6     A  12          2H6         A  12   0.444   0.991  36.867
  131    H2     A  12           H2         A  12   4.378  -1.407  34.306
  132   1H2*    A  12          1H2*        A  12   1.780  -5.172  39.707
  133   2H2*    A  12          2H2*        A  12   3.539  -4.674  39.944
  134   1H5*    A  13          2H5*        A  13   7.713  -6.279  38.951
  135   2H5*    A  13          1H5*        A  13   8.317  -6.531  40.608
  136    H4*    A  13           H4*        A  13   9.577  -4.731  39.575
  137    H3*    A  13           H3*        A  13   7.572  -3.798  41.639
  138    H1*    A  13           H1*        A  13   8.521  -1.769  38.487
  139    H8     A  13           H8         A  13   5.437  -3.533  40.055
  140   1H6     A  13          1H6         A  13   2.385   1.728  38.860
  141   2H6     A  13          2H6         A  13   2.240   0.062  39.428
  142    H2     A  13           H2         A  13   6.729   2.370  37.910
  143    H3T    A  13           H3T        A  13   9.597  -3.384  42.698
  144   1H2*    A  13          1H2*        A  13   8.272  -1.554  41.255
  145   2H2*    A  13          2H2*        A  13   9.763  -2.117  40.328
  146   1H5*    U  26          1H5*        U  26   3.599  11.421  35.905
  147   2H5*    U  26          2H5*        U  26   2.747  10.943  37.396
  148    H4*    U  26           H4*        U  26   5.313  10.610  37.319
  149    H3*    U  26           H3*        U  26   4.399   8.320  35.543
  150    H2*    U  26           H2*        U  26   6.150   7.012  36.563
  151   2HO*    U  26          2HO*        U  26   7.664   8.856  36.692
  152    H1*    U  26           H1*        U  26   5.597   7.866  39.144
  153    H3     U  26           H3         U  26   4.198   3.481  38.357
  154    H5     U  26           H5         U  26   0.848   5.993  37.816
  155    H6     U  26           H6         U  26   2.341   7.891  37.896
  156   3H5*    U  26          3H5*        U  26   2.701   9.883  35.975
  157   1H5*    U  25          2H5*        U  25   8.481   7.941  34.768
  158   2H5*    U  25          1H5*        U  25   8.678   7.669  33.018
  159    H4*    U  25           H4*        U  25   9.449   5.753  34.463
  160    H3*    U  25           H3*        U  25   7.089   5.193  32.613
  161    H2*    U  25           H2*        U  25   7.453   2.864  33.238
  162   2HO*    U  25          2HO*        U  25   9.822   3.100  33.413
  163    H1*    U  25           H1*        U  25   7.617   3.474  35.933
  164    H3     U  25           H3         U  25   3.483   1.602  35.174
  165    H5     U  25           H5         U  25   3.019   5.733  34.441
  166    H6     U  25           H6         U  25   5.419   5.965  34.603
  167   1H5*    C  24          2H5*        C  24   9.917   2.115  31.400
  168   2H5*    C  24          1H5*        C  24   9.724   1.969  29.634
  169    H4*    C  24           H4*        C  24   9.234  -0.116  31.094
  170    H3*    C  24           H3*        C  24   7.098   0.913  29.170
  171    H2*    C  24           H2*        C  24   5.954  -1.136  29.693
  172   2HO*    C  24          2HO*        C  24   7.137  -2.869  30.286
  173    H1*    C  24           H1*        C  24   6.673  -1.048  32.427
  174   1H4     C  24          1H4         C  24   0.593   0.943  31.887
  175   2H4     C  24          2H4         C  24   1.175   2.605  32.029
  176    H5     C  24           H5         C  24   3.532   3.178  32.029
  177    H6     C  24           H6         C  24   5.814   2.263  31.892
  178   1H5*    U  23          2H5*        U  23   8.360  -3.359  28.433
  179   2H5*    U  23          1H5*        U  23   8.085  -3.750  26.716
  180    H4*    U  23           H4*        U  23   6.988  -5.289  28.459
  181    H3*    U  23           H3*        U  23   5.306  -3.912  26.336
  182    H2*    U  23           H2*        U  23   3.432  -5.128  27.168
  183   2HO*    U  23          2HO*        U  23   4.623  -7.142  27.483
  184    H1*    U  23           H1*        U  23   4.150  -4.900  29.878
  185    H3     U  23           H3         U  23   0.323  -2.466  29.646
  186    H5     U  23           H5         U  23   3.214  -0.035  27.760
  187    H6     U  23           H6         U  23   4.772  -1.874  27.923
  188   1H5*    C  22          2H5*        C  22   6.971  -8.266  25.311
  189   2H5*    C  22          1H5*        C  22   6.952  -8.801  23.611
  190    H4*    C  22           H4*        C  22   5.051  -9.706  24.947
  191    H3*    C  22           H3*        C  22   4.290  -7.729  22.755
  192    H2*    C  22           H2*        C  22   2.011  -8.365  23.242
  193   2HO*    C  22          2HO*        C  22   2.568 -10.652  23.644
  194    H1*    C  22           H1*        C  22   2.382  -8.298  26.008
  195   1H4     C  22          1H4         C  22   0.055  -2.518  24.704
  196   2H4     C  22          2H4         C  22   1.621  -1.982  24.086
  197    H5     C  22           H5         C  22   3.528  -3.464  23.873
  198    H6     C  22           H6         C  22   4.318  -5.772  24.213
  199   1H5*    U  21          2H5*        U  21   1.716 -11.246  21.733
  200   2H5*    U  21          1H5*        U  21   1.584 -11.120  19.961
  201    H4*    U  21           H4*        U  21  -0.571 -10.837  21.392
  202    H3*    U  21           H3*        U  21   0.236  -8.738  19.336
  203    H2*    U  21           H2*        U  21  -1.907  -7.736  19.786
  204   2HO*    U  21          2HO*        U  21  -3.327  -9.428  20.074
  205    H1*    U  21           H1*        U  21  -1.737  -8.130  22.555
  206    H3     U  21           H3         U  21  -1.409  -3.615  22.100
  207    H5     U  21           H5         U  21   2.386  -5.066  20.955
  208    H6     U  21           H6         U  21   1.497  -7.308  21.088
  209   1H5*    U  20          2H5*        U  20  -3.798 -10.334  18.023
  210   2H5*    U  20          1H5*        U  20  -3.973  -9.963  16.288
  211    H4*    U  20           H4*        U  20  -5.599  -8.813  17.960
  212    H3*    U  20           H3*        U  20  -3.961  -7.143  16.003
  213    H2*    U  20           H2*        U  20  -5.336  -5.298  16.756
  214   2HO*    U  20          2HO*        U  20  -7.309  -5.754  17.554
  215    H1*    U  20           H1*        U  20  -5.142  -6.022  19.444
  216    H3     U  20           H3         U  20  -2.617  -2.239  19.078
  217    H5     U  20           H5         U  20  -0.147  -5.327  17.599
  218    H6     U  20           H6         U  20  -2.044  -6.818  17.730
  219   1H5*    C  19          2H5*        C  19  -8.356  -6.384  15.591
  220   2H5*    C  19          1H5*        C  19  -8.678  -5.749  13.957
  221    H4*    C  19           H4*        C  19  -9.350  -4.271  15.959
  222    H3*    C  19           H3*        C  19  -7.454  -3.161  13.843
  223    H2*    C  19           H2*        C  19  -7.791  -1.038  14.970
  224   2HO*    C  19          2HO*        C  19 -10.053  -1.391  15.503
  225    H1*    C  19           H1*        C  19  -7.485  -2.150  17.504
  226   1H4     C  19          1H4         C  19  -1.602  -0.193  16.046
  227   2H4     C  19          2H4         C  19  -1.342  -1.615  15.030
  228    H5     C  19           H5         C  19  -3.080  -3.244  14.577
  229    H6     C  19           H6         C  19  -5.431  -3.836  15.010
  230   1H5*    C  18          2H5*        C  18 -10.841  -0.260  13.718
  231   2H5*    C  18          1H5*        C  18 -10.910   0.261  12.015
  232    H4*    C  18           H4*        C  18 -10.454   2.089  13.746
  233    H3*    C  18           H3*        C  18  -8.367   1.618  11.568
  234    H2*    C  18           H2*        C  18  -7.405   3.706  12.385
  235   2HO*    C  18          2HO*        C  18  -9.577   4.619  12.920
  236    H1*    C  18           H1*        C  18  -7.596   2.902  15.033
  237   1H4     C  18          1H4         C  18  -1.813   0.949  13.146
  238   2H4     C  18          2H4         C  18  -2.498  -0.598  12.636
  239    H5     C  18           H5         C  18  -4.879  -1.052  12.650
  240    H6     C  18           H6         C  18  -7.095  -0.105  13.160
  241   1H5*    U  17          2H5*        U  17  -9.194   5.852  11.172
  242   2H5*    U  17          1H5*        U  17  -9.195   6.164   9.417
  243    H4*    U  17           H4*        U  17  -7.501   7.482  10.804
  244    H3*    U  17           H3*        U  17  -6.434   5.662   8.597
  245    H2*    U  17           H2*        U  17  -4.328   6.817   9.008
  246   2HO*    U  17          2HO*        U  17  -5.318   8.913   9.487
  247    H1*    U  17           H1*        U  17  -4.585   6.564  11.765
  248    H3     U  17           H3         U  17  -1.353   3.621  10.280
  249    H5     U  17           H5         U  17  -5.020   1.541  10.059
  250    H6     U  17           H6         U  17  -6.155   3.625  10.514
  251   1H5*    C  16          2H5*        C  16  -4.884   9.594   7.227
  252   2H5*    C  16          1H5*        C  16  -5.273   9.589   5.488
  253    H4*    C  16           H4*        C  16  -2.834   9.980   6.024
  254    H3*    C  16           H3*        C  16  -3.506   7.448   4.464
  255    H2*    C  16           H2*        C  16  -1.133   7.216   4.192
  256   2HO*    C  16          2HO*        C  16   0.073   9.027   4.156
  257    H1*    C  16           H1*        C  16  -0.545   8.093   6.810
  258   1H4     C  16          1H4         C  16  -0.122   1.700   6.807
  259   2H4     C  16          2H4         C  16  -1.786   1.615   7.394
  260    H5     C  16           H5         C  16  -3.216   3.564   7.584
  261    H6     C  16           H6         C  16  -3.334   6.001   7.246
  262   1H5*    U  15          2H5*        U  15  -0.589  10.058   2.210
  263   2H5*    U  15          1H5*        U  15  -0.769   9.703   0.473
  264    H4*    U  15           H4*        U  15   1.562   9.348   1.488
  265    H3*    U  15           H3*        U  15   0.163   7.000   0.138
  266    H2*    U  15           H2*        U  15   2.271   5.850   0.384
  267   2HO*    U  15          2HO*        U  15   4.022   7.136   0.299
  268    H1*    U  15           H1*        U  15   2.688   6.780   2.989
  269    H3     U  15           H3         U  15   1.837   2.359   3.606
  270    H5     U  15           H5         U  15  -1.947   4.045   2.790
  271    H6     U  15           H6         U  15  -0.836   6.131   2.286
  272   1H5*    C  14          2H5*        C  14   4.197   7.982  -1.864
  273   2H5*    C  14          1H5*        C  14   4.081   7.381  -3.538
  274    H4*    C  14           H4*        C  14   6.024   6.454  -2.189
  275    H3*    C  14           H3*        C  14   3.937   4.478  -3.201
  276    H2*    C  14           H2*        C  14   5.469   2.769  -2.445
  277   2HO*    C  14          2HO*        C  14   7.405   4.023  -3.095
  278    H1*    C  14           H1*        C  14   6.033   4.080  -0.046
  279   1H4     C  14          1H4         C  14   1.353   0.118   1.634
  280   2H4     C  14          2H4         C  14   0.156   1.073   0.754
  281    H5     C  14           H5         C  14   0.742   3.009  -0.584
  282    H6     C  14           H6         C  14   2.608   4.423  -1.349
  283    H3T    C  14           H3T        C  14   5.675   4.127  -4.700
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1   6.143 -10.307   2.884
    2   2H5*    G   1          2H5*        G   1   4.759  -9.836   1.866
    3    H4*    G   1           H4*        G   1   7.099  -8.956   1.195
    4    H3*    G   1           H3*        G   1   7.184  -7.901   3.771
    5    H1*    G   1           H1*        G   1   6.630  -5.942   0.592
    6    H8     G   1           H8         G   1   2.964  -6.839   0.962
    7    H1     G   1           H1         G   1   4.011  -0.528   0.223
    8   1H2     G   1          1H2         G   1   6.141  -0.077   0.430
    9   2H2     G   1          2H2         G   1   7.348  -1.325   0.755
   10   1H2*    G   1          1H2*        G   1   5.456  -6.319   3.406
   11   2H2*    G   1          2H2*        G   1   6.906  -5.348   2.812
   12   3H5*    G   1          3H5*        G   1   5.038  -9.011   3.411
   13   1H5*    A   2          2H5*        A   2   9.458  -4.209   1.573
   14   2H5*    A   2          1H5*        A   2  10.985  -4.390   2.472
   15    H4*    A   2           H4*        A   2  10.462  -2.101   2.668
   16    H3*    A   2           H3*        A   2  10.383  -3.538   5.046
   17    H1*    A   2           H1*        A   2   8.217  -0.724   4.115
   18    H8     A   2           H8         A   2   5.739  -3.758   4.161
   19   1H6     A   2          1H6         A   2   1.316   0.504   3.325
   20   2H6     A   2          2H6         A   2   1.650  -1.210   3.589
   21    H2     A   2           H2         A   2   5.305   2.571   3.225
   22   1H2*    A   2          1H2*        A   2   7.977  -3.673   5.000
   23   2H2*    A   2          2H2*        A   2   8.258  -2.156   6.009
   24   1H5*    G   3          2H5*        G   3  10.449   1.102   4.853
   25   2H5*    G   3          1H5*        G   3  11.618   1.657   6.078
   26    H4*    G   3           H4*        G   3  10.017   3.434   5.588
   27    H3*    G   3           H3*        G   3  10.466   2.589   8.203
   28    H1*    G   3           H1*        G   3   7.272   3.749   6.774
   29    H8     G   3           H8         G   3   6.711  -0.146   6.979
   30    H1     G   3           H1         G   3   1.437   3.496   6.347
   31   1H2     G   3          1H2         G   3   1.978   5.613   6.253
   32   2H2     G   3          2H2         G   3   3.651   6.171   6.345
   33   1H2*    G   3          1H2*        G   3   8.431   1.319   8.282
   34   2H2*    G   3          2H2*        G   3   7.869   2.955   8.918
   35   1H5*    A   4          2H5*        A   4   7.869   6.707   7.574
   36   2H5*    A   4          1H5*        A   4   8.731   7.799   8.687
   37    H4*    A   4           H4*        A   4   6.405   8.455   8.666
   38    H3*    A   4           H3*        A   4   7.595   7.721  11.079
   39    H1*    A   4           H1*        A   4   4.082   7.121  10.013
   40    H8     A   4           H8         A   4   5.695   3.537   9.974
   41   1H6     A   4          1H6         A   4  -0.131   1.509   9.370
   42   2H6     A   4          2H6         A   4   1.562   1.034   9.533
   43    H2     A   4           H2         A   4  -0.198   6.001   9.414
   44   1H2*    A   4          1H2*        A   4   6.540   5.571  11.047
   45   2H2*    A   4          2H2*        A   4   5.290   6.567  11.965
   46   1H5*    G   5          2H5*        G   5   3.370   9.961  11.131
   47   2H5*    G   5          1H5*        G   5   3.625  11.274  12.308
   48    H4*    G   5           H4*        G   5   1.286  10.716  12.345
   49    H3*    G   5           H3*        G   5   2.731  10.510  14.704
   50    H1*    G   5           H1*        G   5  -0.013   8.258  13.637
   51    H8     G   5           H8         G   5   3.207   6.044  13.156
   52    H1     G   5           H1         G   5  -2.454   2.989  12.844
   53   1H2     G   5          1H2         G   5  -4.101   4.410  13.066
   54   2H2     G   5          2H2         G   5  -3.838   6.142  13.296
   55   1H2*    G   5          1H2*        G   5   2.947   8.125  14.496
   56   2H2*    G   5          2H2*        G   5   1.417   8.277  15.512
   57   1H5*    G   6          2H5*        G   6  -2.021  10.208  14.699
   58   2H5*    G   6          1H5*        G   6  -2.458  11.385  15.963
   59    H4*    G   6           H4*        G   6  -4.249   9.757  15.732
   60    H3*    G   6           H3*        G   6  -3.050  10.200  18.208
   61    H1*    G   6           H1*        G   6  -4.290   6.912  16.896
   62    H8     G   6           H8         G   6  -0.359   6.686  16.741
   63    H1     G   6           H1         G   6  -3.589   1.151  16.107
   64   1H2     G   6          1H2         G   6  -5.745   1.511  16.186
   65   2H2     G   6          2H2         G   6  -6.431   3.125  16.397
   66   1H2*    G   6          1H2*        G   6  -1.795   8.180  18.177
   67   2H2*    G   6          2H2*        G   6  -3.368   7.580  18.928
   68   1H5*    A   7          1H5*        A   7  -8.083   8.192  19.680
   69   2H5*    A   7          2H5*        A   7  -7.121   7.771  18.240
   70    H4*    A   7           H4*        A   7  -8.177   5.766  19.170
   71    H3*    A   7           H3*        A   7  -6.961   6.707  21.728
   72    H1*    A   7           H1*        A   7  -6.897   3.594  19.448
   73    H8     A   7           H8         A   7  -3.382   5.212  19.748
   74   1H6     A   7          1H6         A   7  -1.178  -0.568  19.346
   75   2H6     A   7          2H6         A   7  -0.757   1.147  19.397
   76    H2     A   7           H2         A   7  -5.658  -0.782  19.622
   77   1H2*    A   7          1H2*        A   7  -5.644   4.862  21.914
   78   2H2*    A   7          2H2*        A   7  -7.136   3.804  21.679
   79   1H5*    A   8          2H5*        A   8  -9.939   3.374  21.567
   80   2H5*    A   8          1H5*        A   8 -11.156   3.435  22.868
   81    H4*    A   8           H4*        A   8 -10.510   1.115  22.433
   82    H3*    A   8           H3*        A   8 -10.386   2.206  25.004
   83    H1*    A   8           H1*        A   8  -8.073  -0.318  23.495
   84    H8     A   8           H8         A   8  -5.940   2.981  23.705
   85   1H6     A   8          1H6         A   8  -1.096  -0.728  22.610
   86   2H6     A   8          2H6         A   8  -1.612   0.931  22.928
   87    H2     A   8           H2         A   8  -4.825  -3.235  22.597
   88   1H2*    A   8          1H2*        A   8  -8.012   2.393  24.959
   89   2H2*    A   8          2H2*        A   8  -8.204   0.681  25.615
   90   1H5*    G   9          2H5*        G   9  -9.772  -2.642  24.580
   91   2H5*    G   9          1H5*        G   9 -10.989  -3.163  25.773
   92    H4*    G   9           H4*        G   9  -9.254  -4.822  25.753
   93    H3*    G   9           H3*        G   9  -9.783  -3.479  28.138
   94    H1*    G   9           H1*        G   9  -6.437  -4.632  26.923
   95    H8     G   9           H8         G   9  -6.376  -0.723  26.422
   96    H1     G   9           H1         G   9  -0.692  -3.743  26.217
   97   1H2     G   9          1H2         G   9  -0.960  -5.895  26.498
   98   2H2     G   9          2H2         G   9  -2.547  -6.631  26.742
   99   1H2*    G   9          1H2*        G   9  -7.840  -2.108  27.994
  100   2H2*    G   9          2H2*        G   9  -7.155  -3.572  28.879
  101   1H5*    A  10          2H5*        A  10  -6.801  -7.326  28.355
  102   2H5*    A  10          1H5*        A  10  -7.530  -8.236  29.702
  103    H4*    A  10           H4*        A  10  -5.143  -8.631  29.726
  104    H3*    A  10           H3*        A  10  -6.401  -7.503  31.971
  105    H1*    A  10           H1*        A  10  -2.931  -6.851  30.657
  106    H8     A  10           H8         A  10  -4.955  -3.524  30.133
  107   1H6     A  10          1H6         A  10   0.553  -1.017  28.788
  108   2H6     A  10          2H6         A  10  -1.174  -0.706  28.990
  109    H2     A  10           H2         A  10   1.151  -5.400  29.578
  110   1H2*    A  10          1H2*        A  10  -5.444  -5.366  31.630
  111   2H2*    A  10          2H2*        A  10  -4.076  -6.166  32.571
  112   1H5*    G  11          2H5*        G  11  -2.110  -9.751  32.257
  113   2H5*    G  11          1H5*        G  11  -2.353 -10.698  33.747
  114    H4*    G  11           H4*        G  11   0.032 -10.317  33.373
  115    H3*    G  11           H3*        G  11  -1.161  -9.703  35.794
  116    H1*    G  11           H1*        G  11   1.458  -7.496  34.089
  117    H8     G  11           H8         G  11  -2.097  -5.895  33.516
  118    H1     G  11           H1         G  11   2.984  -2.075  32.484
  119   1H2     G  11          1H2         G  11   4.845  -3.163  32.852
  120   2H2     G  11          2H2         G  11   4.872  -4.854  33.361
  121   1H2*    G  11          1H2*        G  11  -1.286  -7.371  35.440
  122   2H2*    G  11          2H2*        G  11   0.422  -7.482  36.125
  123   1H5*    A  12          2H5*        A  12   3.561  -8.841  35.880
  124   2H5*    A  12          1H5*        A  12   4.120  -9.653  37.364
  125    H4*    A  12           H4*        A  12   5.278  -7.530  37.158
  126    H3*    A  12           H3*        A  12   3.659  -8.072  39.429
  127    H1*    A  12           H1*        A  12   4.516  -4.854  37.701
  128    H8     A  12           H8         A  12   0.628  -5.074  37.731
  129   1H6     A  12          1H6         A  12   0.769   0.357  34.744
  130   2H6     A  12          2H6         A  12  -0.266  -0.857  35.504
  131    H2     A  12           H2         A  12   4.988  -1.130  35.171
  132   1H2*    A  12          1H2*        A  12   2.109  -6.383  38.869
  133   2H2*    A  12          2H2*        A  12   3.381  -5.341  39.702
  134   1H5*    A  13          2H5*        A  13   7.647  -5.519  39.397
  135   2H5*    A  13          1H5*        A  13   8.378  -5.806  40.996
  136    H4*    A  13           H4*        A  13   9.207  -3.711  39.987
  137    H3*    A  13           H3*        A  13   8.340  -3.848  42.590
  138    H1*    A  13           H1*        A  13   7.281  -0.979  40.233
  139    H8     A  13           H8         A  13   4.380  -3.595  40.682
  140   1H6     A  13          1H6         A  13   0.832   0.678  37.928
  141   2H6     A  13          2H6         A  13   0.862  -0.921  38.678
  142    H2     A  13           H2         A  13   5.041   2.242  38.111
  143    H3T    A  13           H3T        A  13   9.272  -1.726  42.738
  144   1H2*    A  13          1H2*        A  13   6.165  -3.013  42.214
  145   2H2*    A  13          2H2*        A  13   7.061  -1.419  42.443
  146   1H5*    U  26          1H5*        U  26  -0.002  10.568  35.591
  147   2H5*    U  26          2H5*        U  26  -0.899   9.758  36.900
  148    H4*    U  26           H4*        U  26   1.654  10.056  37.200
  149    H3*    U  26           H3*        U  26   1.591   7.791  35.174
  150    H2*    U  26           H2*        U  26   3.470   6.863  36.369
  151   2HO*    U  26          2HO*        U  26   4.481   8.946  36.836
  152    H1*    U  26           H1*        U  26   2.384   7.327  38.882
  153    H3     U  26           H3         U  26   2.249   2.807  37.843
  154    H5     U  26           H5         U  26  -1.439   4.447  36.602
  155    H6     U  26           H6         U  26  -0.520   6.645  36.998
  156   3H5*    U  26          3H5*        U  26  -0.487   8.861  35.427
  157   1H5*    U  25          2H5*        U  25   5.761   8.834  34.950
  158   2H5*    U  25          1H5*        U  25   6.272   8.610  33.257
  159    H4*    U  25           H4*        U  25   7.372   7.070  34.967
  160    H3*    U  25           H3*        U  25   5.744   5.784  32.730
  161    H2*    U  25           H2*        U  25   6.733   3.706  33.529
  162   2HO*    U  25          2HO*        U  25   8.816   4.591  34.125
  163    H1*    U  25           H1*        U  25   6.189   4.306  36.182
  164    H3     U  25           H3         U  25   3.166   1.104  34.879
  165    H5     U  25           H5         U  25   1.468   4.794  33.727
  166    H6     U  25           H6         U  25   3.562   5.859  34.291
  167   1H5*    C  24          2H5*        C  24   9.863   4.022  32.221
  168   2H5*    C  24          1H5*        C  24   9.947   3.644  30.482
  169    H4*    C  24           H4*        C  24  10.136   1.690  32.185
  170    H3*    C  24           H3*        C  24   8.054   1.584  29.955
  171    H2*    C  24           H2*        C  24   7.779  -0.728  30.658
  172   2HO*    C  24          2HO*        C  24  10.029  -1.120  31.186
  173    H1*    C  24           H1*        C  24   7.731  -0.048  33.359
  174   1H4     C  24          1H4         C  24   1.603  -0.118  31.551
  175   2H4     C  24          2H4         C  24   1.709   1.591  31.115
  176    H5     C  24           H5         C  24   3.791   2.833  31.156
  177    H6     C  24           H6         C  24   6.204   2.682  31.626
  178   1H5*    U  23          2H5*        U  23  10.538  -2.128  29.285
  179   2H5*    U  23          1H5*        U  23  10.326  -2.456  27.546
  180    H4*    U  23           H4*        U  23   9.443  -4.194  29.283
  181    H3*    U  23           H3*        U  23   7.610  -3.122  27.088
  182    H2*    U  23           H2*        U  23   6.125  -4.921  27.815
  183   2HO*    U  23          2HO*        U  23   7.815  -6.459  28.359
  184    H1*    U  23           H1*        U  23   6.449  -4.258  30.490
  185    H3     U  23           H3         U  23   2.287  -2.786  29.208
  186    H5     U  23           H5         U  23   4.953   0.330  28.206
  187    H6     U  23           H6         U  23   6.784  -1.159  28.722
  188   1H5*    C  22          2H5*        C  22   7.649  -7.523  26.388
  189   2H5*    C  22          1H5*        C  22   7.350  -7.709  24.641
  190    H4*    C  22           H4*        C  22   5.627  -8.714  26.302
  191    H3*    C  22           H3*        C  22   4.694  -6.777  24.131
  192    H2*    C  22           H2*        C  22   2.464  -7.522  24.798
  193   2HO*    C  22          2HO*        C  22   3.285  -9.751  25.317
  194    H1*    C  22           H1*        C  22   3.041  -7.191  27.492
  195   1H4     C  22          1H4         C  22   0.639  -1.586  25.553
  196   2H4     C  22          2H4         C  22   2.280  -0.991  25.281
  197    H5     C  22           H5         C  22   4.241  -2.405  25.467
  198    H6     C  22           H6         C  22   5.023  -4.689  25.955
  199   1H5*    U  21          2H5*        U  21   2.162 -10.270  23.561
  200   2H5*    U  21          1H5*        U  21   2.017 -10.463  21.796
  201    H4*    U  21           H4*        U  21  -0.162 -10.148  23.132
  202    H3*    U  21           H3*        U  21   0.496  -8.215  20.868
  203    H2*    U  21           H2*        U  21  -1.736  -7.382  21.193
  204   2HO*    U  21          2HO*        U  21  -3.157  -8.931  21.763
  205    H1*    U  21           H1*        U  21  -1.599  -7.546  24.001
  206    H3     U  21           H3         U  21  -1.939  -3.114  22.760
  207    H5     U  21           H5         U  21   2.177  -4.044  22.653
  208    H6     U  21           H6         U  21   1.592  -6.369  22.949
  209   1H5*    U  20          2H5*        U  20  -3.328 -10.317  19.914
  210   2H5*    U  20          1H5*        U  20  -3.586 -10.300  18.151
  211    H4*    U  20           H4*        U  20  -5.362  -9.127  19.580
  212    H3*    U  20           H3*        U  20  -3.883  -7.478  17.479
  213    H2*    U  20           H2*        U  20  -5.598  -5.806  17.954
  214   2HO*    U  20          2HO*        U  20  -7.301  -7.436  18.363
  215    H1*    U  20           H1*        U  20  -5.282  -6.086  20.694
  216    H3     U  20           H3         U  20  -3.219  -2.143  19.655
  217    H5     U  20           H5         U  20  -0.379  -5.131  18.744
  218    H6     U  20           H6         U  20  -2.093  -6.787  19.133
  219   1H5*    C  19          2H5*        C  19  -8.099  -6.887  16.377
  220   2H5*    C  19          1H5*        C  19  -8.083  -6.839  14.596
  221    H4*    C  19           H4*        C  19  -8.968  -4.759  15.847
  222    H3*    C  19           H3*        C  19  -6.670  -4.444  13.862
  223    H2*    C  19           H2*        C  19  -7.042  -2.080  14.143
  224   2HO*    C  19          2HO*        C  19  -9.020  -1.383  14.751
  225    H1*    C  19           H1*        C  19  -7.465  -2.302  16.920
  226   1H4     C  19          1H4         C  19  -1.422  -0.343  16.082
  227   2H4     C  19          2H4         C  19  -0.887  -2.022  16.213
  228    H5     C  19           H5         C  19  -2.428  -3.890  16.323
  229    H6     C  19           H6         C  19  -4.808  -4.524  16.328
  230   1H5*    C  18          2H5*        C  18 -10.160  -1.949  12.848
  231   2H5*    C  18          1H5*        C  18 -10.225  -1.644  11.093
  232    H4*    C  18           H4*        C  18 -10.159   0.410  12.639
  233    H3*    C  18           H3*        C  18  -7.988   0.085  10.518
  234    H2*    C  18           H2*        C  18  -7.402   2.374  11.110
  235   2HO*    C  18          2HO*        C  18  -9.610   3.087  11.529
  236    H1*    C  18           H1*        C  18  -7.512   1.849  13.833
  237   1H4     C  18          1H4         C  18  -1.429   0.757  12.224
  238   2H4     C  18          2H4         C  18  -1.822  -0.924  11.850
  239    H5     C  18           H5         C  18  -4.089  -1.783  11.874
  240    H6     C  18           H6         C  18  -6.449  -1.196  12.266
  241   1H5*    U  17          2H5*        U  17  -9.846   3.987   9.532
  242   2H5*    U  17          1H5*        U  17  -9.685   4.149   7.765
  243    H4*    U  17           H4*        U  17  -8.515   5.917   9.231
  244    H3*    U  17           H3*        U  17  -6.845   4.310   7.242
  245    H2*    U  17           H2*        U  17  -5.123   5.963   7.756
  246   2HO*    U  17          2HO*        U  17  -6.589   7.781   8.039
  247    H1*    U  17           H1*        U  17  -5.555   5.734  10.488
  248    H3     U  17           H3         U  17  -1.629   3.550   9.471
  249    H5     U  17           H5         U  17  -4.701   0.701   8.953
  250    H6     U  17           H6         U  17  -6.310   2.484   9.212
  251   1H5*    C  16          2H5*        C  16  -6.268   8.474   5.925
  252   2H5*    C  16          1H5*        C  16  -6.045   8.394   4.158
  253    H4*    C  16           H4*        C  16  -4.103   9.352   5.560
  254    H3*    C  16           H3*        C  16  -3.580   6.967   3.727
  255    H2*    C  16           H2*        C  16  -1.240   7.424   4.216
  256   2HO*    C  16          2HO*        C  16  -1.355   9.737   4.314
  257    H1*    C  16           H1*        C  16  -1.722   7.722   6.940
  258   1H4     C  16          1H4         C  16  -0.167   1.572   6.096
  259   2H4     C  16          2H4         C  16  -1.884   1.167   5.989
  260    H5     C  16           H5         C  16  -3.631   2.847   5.938
  261    H6     C  16           H6         C  16  -4.082   5.268   5.979
  262   1H5*    U  15          2H5*        U  15  -0.846  10.231   2.197
  263   2H5*    U  15          1H5*        U  15  -0.613   9.847   0.473
  264    H4*    U  15           H4*        U  15   1.469   9.861   2.023
  265    H3*    U  15           H3*        U  15   0.843   7.385   0.348
  266    H2*    U  15           H2*        U  15   3.092   6.693   1.013
  267   2HO*    U  15          2HO*        U  15   3.956   8.921   1.026
  268    H1*    U  15           H1*        U  15   2.614   7.323   3.670
  269    H3     U  15           H3         U  15   2.448   2.739   3.206
  270    H5     U  15           H5         U  15  -1.470   4.124   2.463
  271    H6     U  15           H6         U  15  -0.601   6.378   2.453
  272   1H5*    C  14          2H5*        C  14   4.981   8.376  -0.891
  273   2H5*    C  14          1H5*        C  14   4.926   8.210  -2.665
  274    H4*    C  14           H4*        C  14   6.709   6.824  -1.552
  275    H3*    C  14           H3*        C  14   4.490   5.271  -2.958
  276    H2*    C  14           H2*        C  14   5.936   3.350  -2.607
  277   2HO*    C  14          2HO*        C  14   7.943   4.624  -2.932
  278    H1*    C  14           H1*        C  14   6.475   4.060   0.030
  279   1H4     C  14          1H4         C  14   1.477   0.081   0.306
  280   2H4     C  14          2H4         C  14   0.380   1.463   0.235
  281    H5     C  14           H5         C  14   1.145   3.734  -0.137
  282    H6     C  14           H6         C  14   3.130   5.140  -0.518
  283    H3T    C  14           H3T        C  14   6.204   5.134  -4.518
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1   5.667  -9.413   6.818
    2   2H5*    G   1          2H5*        G   1   4.219  -9.325   5.782
    3    H4*    G   1           H4*        G   1   6.533  -9.227   4.624
    4    H3*    G   1           H3*        G   1   7.070  -7.089   6.288
    5    H1*    G   1           H1*        G   1   6.149  -6.742   2.627
    6    H8     G   1           H8         G   1   2.555  -7.168   3.648
    7    H1     G   1           H1         G   1   3.609  -1.718   0.383
    8   1H2     G   1          1H2         G   1   5.755  -1.329   0.219
    9   2H2     G   1          2H2         G   1   6.972  -2.406   0.912
   10   1H2*    G   1          1H2*        G   1   5.372  -5.684   5.401
   11   2H2*    G   1          2H2*        G   1   6.770  -5.260   4.277
   12   3H5*    G   1          3H5*        G   1   4.754  -7.889   6.674
   13   1H5*    A   2          2H5*        A   2   9.818  -4.655   3.087
   14   2H5*    A   2          1H5*        A   2  11.147  -4.645   4.274
   15    H4*    A   2           H4*        A   2  10.571  -2.355   3.775
   16    H3*    A   2           H3*        A   2  10.445  -3.240   6.411
   17    H1*    A   2           H1*        A   2   8.256  -0.763   4.806
   18    H8     A   2           H8         A   2   5.781  -3.383   6.111
   19   1H6     A   2          1H6         A   2   1.421  -0.324   2.939
   20   2H6     A   2          2H6         A   2   1.732  -1.603   4.117
   21    H2     A   2           H2         A   2   5.430   1.366   1.817
   22   1H2*    A   2          1H2*        A   2   8.047  -3.437   6.336
   23   2H2*    A   2          2H2*        A   2   8.267  -1.723   6.977
   24   1H5*    G   3          2H5*        G   3  10.593   1.606   5.457
   25   2H5*    G   3          1H5*        G   3  11.707   2.100   6.758
   26    H4*    G   3           H4*        G   3  10.276   3.972   6.119
   27    H3*    G   3           H3*        G   3  10.538   3.255   8.755
   28    H1*    G   3           H1*        G   3   7.258   4.231   7.244
   29    H8     G   3           H8         G   3   7.139   0.316   7.612
   30    H1     G   3           H1         G   3   1.613   3.217   6.022
   31   1H2     G   3          1H2         G   3   1.923   5.369   5.780
   32   2H2     G   3          2H2         G   3   3.499   6.133   6.006
   33   1H2*    G   3          1H2*        G   3   8.553   1.904   8.784
   34   2H2*    G   3          2H2*        G   3   7.906   3.531   9.360
   35   1H5*    A   4          2H5*        A   4   7.838   7.149   7.852
   36   2H5*    A   4          1H5*        A   4   8.484   8.380   8.967
   37    H4*    A   4           H4*        A   4   6.123   8.795   8.742
   38    H3*    A   4           H3*        A   4   7.156   8.211  11.279
   39    H1*    A   4           H1*        A   4   3.821   7.354   9.886
   40    H8     A   4           H8         A   4   5.593   3.872  10.268
   41   1H6     A   4          1H6         A   4   0.016   1.489   8.984
   42   2H6     A   4          2H6         A   4   1.689   1.120   9.415
   43    H2     A   4           H2         A   4  -0.267   5.966   8.723
   44   1H2*    A   4          1H2*        A   4   6.246   5.999  11.228
   45   2H2*    A   4          2H2*        A   4   4.847   6.936  11.979
   46   1H5*    G   5          2H5*        G   5   2.824  10.074  10.917
   47   2H5*    G   5          1H5*        G   5   2.779  11.431  12.071
   48    H4*    G   5           H4*        G   5   0.551  10.548  11.929
   49    H3*    G   5           H3*        G   5   1.810  10.551  14.409
   50    H1*    G   5           H1*        G   5  -0.543   8.019  13.135
   51    H8     G   5           H8         G   5   2.885   6.090  13.094
   52    H1     G   5           H1         G   5  -2.406   2.554  12.110
   53   1H2     G   5          1H2         G   5  -4.182   3.829  12.080
   54   2H2     G   5          2H2         G   5  -4.099   5.579  12.303
   55   1H2*    G   5          1H2*        G   5   2.332   8.206  14.244
   56   2H2*    G   5          2H2*        G   5   0.721   8.177  15.138
   57   1H5*    G   6          2H5*        G   6  -3.036   9.874  14.062
   58   2H5*    G   6          1H5*        G   6  -3.514  11.029  15.331
   59    H4*    G   6           H4*        G   6  -5.271   9.367  15.035
   60    H3*    G   6           H3*        G   6  -4.208   9.865  17.537
   61    H1*    G   6           H1*        G   6  -5.042   6.367  16.255
   62    H8     G   6           H8         G   6  -1.134   6.842  16.235
   63    H1     G   6           H1         G   6  -3.305   0.865  15.216
   64   1H2     G   6          1H2         G   6  -5.492   0.841  15.189
   65   2H2     G   6          2H2         G   6  -6.461   2.300  15.422
   66   1H2*    G   6          1H2*        G   6  -2.798   7.965  17.595
   67   2H2*    G   6          2H2*        G   6  -4.349   7.225  18.261
   68   1H5*    A   7          2H5*        A   7  -7.979   7.115  17.551
   69   2H5*    A   7          1H5*        A   7  -8.997   7.277  19.005
   70    H4*    A   7           H4*        A   7  -8.555   4.901  18.377
   71    H3*    A   7           H3*        A   7  -7.571   5.955  21.011
   72    H1*    A   7           H1*        A   7  -6.909   3.053  18.556
   73    H8     A   7           H8         A   7  -3.788   5.241  19.348
   74   1H6     A   7          1H6         A   7  -0.512   0.051  18.475
   75   2H6     A   7          2H6         A   7  -0.426   1.790  18.772
   76    H2     A   7           H2         A   7  -4.879  -0.987  18.280
   77   1H2*    A   7          1H2*        A   7  -6.059   4.266  21.206
   78   2H2*    A   7          2H2*        A   7  -7.360   3.041  20.753
   79   1H5*    A   8          2H5*        A   8 -10.167   2.327  20.536
   80   2H5*    A   8          1H5*        A   8 -11.392   2.124  21.814
   81    H4*    A   8           H4*        A   8 -10.495  -0.056  21.129
   82    H3*    A   8           H3*        A   8 -10.610   0.679  23.794
   83    H1*    A   8           H1*        A   8  -7.876  -1.270  22.239
   84    H8     A   8           H8         A   8  -6.252   2.244  22.898
   85   1H6     A   8          1H6         A   8  -0.913  -0.538  21.421
   86   2H6     A   8          2H6         A   8  -1.666   0.965  21.963
   87    H2     A   8           H2         A   8  -4.241  -3.517  20.927
   88   1H2*    A   8          1H2*        A   8  -8.293   1.335  23.838
   89   2H2*    A   8          2H2*        A   8  -8.208  -0.415  24.410
   90   1H5*    G   9          2H5*        G   9  -9.029  -3.953  22.905
   91   2H5*    G   9          1H5*        G   9 -10.224  -4.762  23.951
   92    H4*    G   9           H4*        G   9  -8.261  -6.136  23.928
   93    H3*    G   9           H3*        G   9  -9.139  -5.136  26.366
   94    H1*    G   9           H1*        G   9  -5.511  -5.495  25.344
   95    H8     G   9           H8         G   9  -6.379  -1.656  25.182
   96    H1     G   9           H1         G   9  -0.133  -3.207  24.952
   97   1H2     G   9          1H2         G   9   0.117  -5.379  25.011
   98   2H2     G   9          2H2         G   9  -1.252  -6.491  25.109
   99   1H2*    G   9          1H2*        G   9  -7.477  -3.451  26.523
  100   2H2*    G   9          2H2*        G   9  -6.578  -4.863  27.293
  101   1H5*    A  10          2H5*        A  10  -5.489  -8.365  26.760
  102   2H5*    A  10          1H5*        A  10  -6.138  -9.455  28.011
  103    H4*    A  10           H4*        A  10  -3.776  -9.269  28.400
  104    H3*    A  10           H3*        A  10  -5.568  -8.288  30.379
  105    H1*    A  10           H1*        A  10  -2.076  -7.126  29.410
  106    H8     A  10           H8         A  10  -4.603  -4.206  28.687
  107   1H6     A  10          1H6         A  10   0.468  -0.779  27.706
  108   2H6     A  10          2H6         A  10  -1.297  -0.774  27.777
  109    H2     A  10           H2         A  10   1.760  -4.988  28.602
  110   1H2*    A  10          1H2*        A  10  -4.856  -6.069  30.179
  111   2H2*    A  10          2H2*        A  10  -3.462  -6.689  31.215
  112   1H5*    G  11          2H5*        G  11  -1.221 -10.024  31.311
  113   2H5*    G  11          1H5*        G  11  -1.399 -10.884  32.862
  114    H4*    G  11           H4*        G  11   0.925 -10.090  32.479
  115    H3*    G  11           H3*        G  11  -0.388  -9.802  34.877
  116    H1*    G  11           H1*        G  11   1.698  -7.029  33.327
  117    H8     G  11           H8         G  11  -2.105  -6.124  32.915
  118    H1     G  11           H1         G  11   2.120  -1.561  31.240
  119   1H2     G  11          1H2         G  11   4.167  -2.305  31.440
  120   2H2     G  11          2H2         G  11   4.533  -3.943  31.991
  121   1H2*    G  11          1H2*        G  11  -1.081  -7.557  34.507
  122   2H2*    G  11          2H2*        G  11   0.558  -7.271  35.301
  123   1H5*    A  13          2H5*        A  13   7.202  -4.113  39.268
  124   2H5*    A  13          1H5*        A  13   7.761  -4.324  40.947
  125    H4*    A  13           H4*        A  13   8.349  -2.091  40.069
  126    H3*    A  13           H3*        A  13   7.205  -2.448  42.540
  127    H1*    A  13           H1*        A  13   5.966   0.275  40.097
  128    H8     A  13           H8         A  13   3.496  -2.777  40.231
  129   1H6     A  13          1H6         A  13  -0.307   0.842  36.934
  130   2H6     A  13          2H6         A  13  -0.120  -0.723  37.732
  131    H2     A  13           H2         A  13   3.548   3.060  37.577
  132    H3T    A  13           H3T        A  13   7.738  -0.206  42.824
  133   1H2*    A  13          1H2*        A  13   4.982  -1.979  41.902
  134   2H2*    A  13          2H2*        A  13   5.560  -0.265  42.257
  135   1H5*    U  26          1H5*        U  26  -2.355  10.462  34.388
  136   2H5*    U  26          2H5*        U  26  -3.319   9.501  35.538
  137    H4*    U  26           H4*        U  26  -0.938  10.210  36.266
  138    H3*    U  26           H3*        U  26  -0.281   7.987  34.298
  139    H2*    U  26           H2*        U  26   1.495   7.371  35.812
  140   2HO*    U  26          2HO*        U  26   1.977   9.646  36.392
  141    H1*    U  26           H1*        U  26  -0.075   7.599  38.088
  142    H3     U  26           H3         U  26   0.724   3.145  37.031
  143    H5     U  26           H5         U  26  -2.954   4.189  35.241
  144    H6     U  26           H6         U  26  -2.484   6.498  35.775
  145   3H5*    U  26          3H5*        U  26  -2.518   8.701  34.172
  146   1H5*    U  25          2H5*        U  25   3.648   9.351  34.904
  147   2H5*    U  25          1H5*        U  25   4.439   9.366  33.307
  148    H4*    U  25           H4*        U  25   5.459   7.775  34.991
  149    H3*    U  25           H3*        U  25   4.248   6.530  32.481
  150    H2*    U  25           H2*        U  25   5.358   4.498  33.244
  151   2HO*    U  25          2HO*        U  25   7.235   5.619  34.165
  152    H1*    U  25           H1*        U  25   4.433   4.817  35.839
  153    H3     U  25           H3         U  25   1.910   1.473  33.981
  154    H5     U  25           H5         U  25   0.053   5.067  32.773
  155    H6     U  25           H6         U  25   1.940   6.271  33.682
  156   1H5*    C  24          2H5*        C  24   8.406   5.081  32.243
  157   2H5*    C  24          1H5*        C  24   8.795   5.191  30.507
  158    H4*    C  24           H4*        C  24   8.991   2.874  31.583
  159    H3*    C  24           H3*        C  24   7.061   3.212  29.242
  160    H2*    C  24           H2*        C  24   6.920   0.814  29.300
  161   2HO*    C  24          2HO*        C  24   8.631  -0.311  30.045
  162    H1*    C  24           H1*        C  24   6.966   0.698  32.128
  163   1H4     C  24          1H4         C  24   0.886  -0.146  30.297
  164   2H4     C  24          2H4         C  24   0.604   1.584  30.517
  165    H5     C  24           H5         C  24   2.383   3.154  31.017
  166    H6     C  24           H6         C  24   4.805   3.378  31.407
  167   1H5*    U  23          2H5*        U  23  10.126   0.058  28.296
  168   2H5*    U  23          1H5*        U  23  10.220  -0.094  26.523
  169    H4*    U  23           H4*        U  23   9.494  -2.176  27.872
  170    H3*    U  23           H3*        U  23   7.705  -1.110  25.644
  171    H2*    U  23           H2*        U  23   6.438  -3.147  25.971
  172   2HO*    U  23          2HO*        U  23   7.560  -4.857  26.706
  173    H1*    U  23           H1*        U  23   6.516  -2.959  28.754
  174    H3     U  23           H3         U  23   2.183  -1.993  27.764
  175    H5     U  23           H5         U  23   4.293   1.532  26.792
  176    H6     U  23           H6         U  23   6.351   0.333  27.195
  177   1H5*    C  22          2H5*        C  22   8.789  -5.442  24.810
  178   2H5*    C  22          1H5*        C  22   8.535  -5.702  23.066
  179    H4*    C  22           H4*        C  22   7.133  -7.119  24.709
  180    H3*    C  22           H3*        C  22   5.715  -5.423  22.604
  181    H2*    C  22           H2*        C  22   3.734  -6.667  23.286
  182   2HO*    C  22          2HO*        C  22   5.122  -8.647  23.736
  183    H1*    C  22           H1*        C  22   4.276  -6.299  25.985
  184   1H4     C  22          1H4         C  22   0.607  -1.293  24.553
  185   2H4     C  22          2H4         C  22   1.984  -0.442  23.845
  186    H5     C  22           H5         C  22   4.173  -1.456  23.600
  187    H6     C  22           H6         C  22   5.487  -3.503  23.990
  188   1H5*    U  21          2H5*        U  21   3.789  -9.107  22.113
  189   2H5*    U  21          1H5*        U  21   3.744  -9.421  20.359
  190    H4*    U  21           H4*        U  21   1.484  -9.357  21.520
  191    H3*    U  21           H3*        U  21   2.014  -7.312  19.323
  192    H2*    U  21           H2*        U  21  -0.303  -6.744  19.537
  193   2HO*    U  21          2HO*        U  21  -1.465  -8.586  19.859
  194    H1*    U  21           H1*        U  21  -0.331  -7.020  22.349
  195    H3     U  21           H3         U  21  -1.230  -2.617  21.428
  196    H5     U  21           H5         U  21   2.969  -2.976  21.184
  197    H6     U  21           H6         U  21   2.710  -5.371  21.360
  198   1H5*    U  20          2H5*        U  20  -1.336  -9.975  17.987
  199   2H5*    U  20          1H5*        U  20  -1.453  -9.967  16.208
  200    H4*    U  20           H4*        U  20  -3.483  -9.055  17.484
  201    H3*    U  20           H3*        U  20  -2.049  -7.238  15.504
  202    H2*    U  20           H2*        U  20  -3.871  -5.704  15.871
  203   2HO*    U  20          2HO*        U  20  -5.790  -6.584  16.383
  204    H1*    U  20           H1*        U  20  -3.938  -6.122  18.636
  205    H3     U  20           H3         U  20  -2.357  -1.873  18.227
  206    H5     U  20           H5         U  20   0.945  -4.323  17.270
  207    H6     U  20           H6         U  20  -0.534  -6.232  17.342
  208   1H5*    C  19          2H5*        C  19  -6.436  -7.739  14.475
  209   2H5*    C  19          1H5*        C  19  -6.648  -7.396  12.740
  210    H4*    C  19           H4*        C  19  -7.974  -5.938  14.399
  211    H3*    C  19           H3*        C  19  -6.100  -4.617  12.392
  212    H2*    C  19           H2*        C  19  -7.066  -2.533  13.150
  213   2HO*    C  19          2HO*        C  19  -9.250  -3.406  13.427
  214    H1*    C  19           H1*        C  19  -6.942  -3.242  15.842
  215   1H4     C  19          1H4         C  19  -1.491  -0.077  14.976
  216   2H4     C  19          2H4         C  19  -0.778  -1.448  14.120
  217    H5     C  19           H5         C  19  -2.020  -3.464  13.598
  218    H6     C  19           H6         C  19  -4.210  -4.574  13.796
  219   1H5*    C  18          2H5*        C  18 -10.022  -2.624  11.521
  220   2H5*    C  18          1H5*        C  18  -9.969  -2.376   9.757
  221    H4*    C  18           H4*        C  18 -10.183  -0.270  11.196
  222    H3*    C  18           H3*        C  18  -7.781  -0.522   9.334
  223    H2*    C  18           H2*        C  18  -7.376   1.803   9.892
  224   2HO*    C  18          2HO*        C  18  -9.707   2.339   9.998
  225    H1*    C  18           H1*        C  18  -7.831   1.395  12.609
  226   1H4     C  18          1H4         C  18  -1.522   0.729  11.899
  227   2H4     C  18          2H4         C  18  -1.734  -0.984  11.521
  228    H5     C  18           H5         C  18  -3.913  -2.014  11.257
  229    H6     C  18           H6         C  18  -6.341  -1.603  11.302
  230   1H5*    U  17          2H5*        U  17  -9.551   3.252   8.028
  231   2H5*    U  17          1H5*        U  17  -9.397   3.246   6.253
  232    H4*    U  17           H4*        U  17  -8.234   5.167   7.469
  233    H3*    U  17           H3*        U  17  -6.526   3.286   5.783
  234    H2*    U  17           H2*        U  17  -4.754   4.877   6.165
  235   2HO*    U  17          2HO*        U  17  -5.558   6.918   6.210
  236    H1*    U  17           H1*        U  17  -5.412   5.246   8.863
  237    H3     U  17           H3         U  17  -1.381   3.058   8.753
  238    H5     U  17           H5         U  17  -4.303   0.045   8.305
  239    H6     U  17           H6         U  17  -5.965   1.783   8.070
  240   1H5*    C  16          2H5*        C  16  -6.313   7.452   4.043
  241   2H5*    C  16          1H5*        C  16  -5.818   7.336   2.336
  242    H4*    C  16           H4*        C  16  -4.261   8.647   3.903
  243    H3*    C  16           H3*        C  16  -3.127   6.240   2.406
  244    H2*    C  16           H2*        C  16  -0.977   7.082   3.189
  245   2HO*    C  16          2HO*        C  16  -1.701   9.381   3.026
  246    H1*    C  16           H1*        C  16  -1.919   7.455   5.774
  247   1H4     C  16          1H4         C  16   0.422   1.525   5.854
  248   2H4     C  16          2H4         C  16  -1.086   0.894   5.184
  249    H5     C  16           H5         C  16  -2.909   2.324   4.471
  250    H6     C  16           H6         C  16  -3.654   4.662   4.256
  251   1H5*    U  15          2H5*        U  15  -0.283   9.222   1.347
  252   2H5*    U  15          1H5*        U  15   0.125   8.908  -0.359
  253    H4*    U  15           H4*        U  15   2.046   8.733   1.313
  254    H3*    U  15           H3*        U  15   1.350   6.242  -0.311
  255    H2*    U  15           H2*        U  15   3.472   5.401   0.558
  256   2HO*    U  15          2HO*        U  15   4.538   7.530   0.547
  257    H1*    U  15           H1*        U  15   2.855   6.206   3.141
  258    H3     U  15           H3         U  15   2.376   1.625   2.860
  259    H5     U  15           H5         U  15  -1.366   3.258   1.787
  260    H6     U  15           H6         U  15  -0.328   5.439   1.741
  261   1H5*    C  14          2H5*        C  14   5.700   6.696  -1.364
  262   2H5*    C  14          1H5*        C  14   5.569   6.772  -3.139
  263    H4*    C  14           H4*        C  14   7.231   5.090  -2.438
  264    H3*    C  14           H3*        C  14   4.675   3.865  -3.564
  265    H2*    C  14           H2*        C  14   5.912   1.780  -3.509
  266   2HO*    C  14          2HO*        C  14   7.985   2.824  -4.098
  267    H1*    C  14           H1*        C  14   6.936   2.269  -0.965
  268   1H4     C  14          1H4         C  14   1.611  -1.171  -0.096
  269   2H4     C  14          2H4         C  14   0.696   0.324   0.128
  270    H5     C  14           H5         C  14   1.662   2.522  -0.217
  271    H6     C  14           H6         C  14   3.711   3.731  -0.852
  272    H3T    C  14           H3T        C  14   6.127   3.641  -5.363
  273   1H5*    A  12          1H5*        A  12   4.696  -8.576  36.602
  274   2H5*    A  12          2H5*        A  12   4.062  -7.779  35.139
  275    H4*    A  12           H4*        A  12   5.427  -6.284  36.662
  276    H3*    A  12           H3*        A  12   3.689  -7.234  38.706
  277    H1*    A  12           H1*        A  12   4.186  -3.830  37.219
  278    H8     A  12           H8         A  12   0.420  -4.242  37.407
  279   1H6     A  12          1H6         A  12  -0.019   0.552  33.502
  280   2H6     A  12          2H6         A  12  -0.907  -0.529  34.580
  281    H2     A  12           H2         A  12   4.287  -0.717  33.701
  282   1H2*    A  12          1H2*        A  12   1.948  -5.792  38.027
  283   2H2*    A  12          2H2*        A  12   2.920  -4.609  39.053
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1   4.959 -10.450   7.439
    2   2H5*    G   1          2H5*        G   1   3.482 -10.357   6.447
    3    H4*    G   1           H4*        G   1   5.758 -10.352   5.215
    4    H3*    G   1           H3*        G   1   6.401  -8.180   6.796
    5    H1*    G   1           H1*        G   1   5.364  -7.913   3.155
    6    H8     G   1           H8         G   1   1.802  -8.213   4.337
    7    H1     G   1           H1         G   1   2.856  -2.914   0.833
    8   1H2     G   1          1H2         G   1   5.002  -2.590   0.565
    9   2H2     G   1          2H2         G   1   6.219  -3.675   1.246
   10   1H2*    G   1          1H2*        G   1   4.714  -6.755   5.921
   11   2H2*    G   1          2H2*        G   1   6.083  -6.406   4.738
   12   3H5*    G   1          3H5*        G   1   4.080  -8.908   7.278
   13   1H5*    A   2          2H5*        A   2   9.102  -5.943   3.436
   14   2H5*    A   2          1H5*        A   2  10.475  -5.914   4.571
   15    H4*    A   2           H4*        A   2   9.925  -3.634   3.995
   16    H3*    A   2           H3*        A   2   9.898  -4.403   6.669
   17    H1*    A   2           H1*        A   2   7.694  -1.951   5.058
   18    H8     A   2           H8         A   2   5.217  -4.452   6.573
   19   1H6     A   2          1H6         A   2   0.797  -1.421   3.457
   20   2H6     A   2          2H6         A   2   1.129  -2.657   4.674
   21    H2     A   2           H2         A   2   4.793   0.121   2.098
   22   1H2*    A   2          1H2*        A   2   7.493  -4.560   6.698
   23   2H2*    A   2          2H2*        A   2   7.771  -2.829   7.265
   24   1H5*    G   3          2H5*        G   3  10.065   0.400   5.504
   25   2H5*    G   3          1H5*        G   3  11.261   0.915   6.721
   26    H4*    G   3           H4*        G   3   9.843   2.798   6.094
   27    H3*    G   3           H3*        G   3  10.222   2.167   8.737
   28    H1*    G   3           H1*        G   3   6.884   3.164   7.358
   29    H8     G   3           H8         G   3   6.723  -0.736   7.856
   30    H1     G   3           H1         G   3   1.165   2.214   6.484
   31   1H2     G   3          1H2         G   3   1.494   4.352   6.162
   32   2H2     G   3          2H2         G   3   3.092   5.095   6.279
   33   1H2*    G   3          1H2*        G   3   8.211   0.869   8.918
   34   2H2*    G   3          2H2*        G   3   7.630   2.532   9.461
   35   1H5*    A   4          2H5*        A   4   7.558   6.093   7.837
   36   2H5*    A   4          1H5*        A   4   8.313   7.340   8.863
   37    H4*    A   4           H4*        A   4   5.959   7.834   8.771
   38    H3*    A   4           H3*        A   4   7.124   7.278  11.260
   39    H1*    A   4           H1*        A   4   3.666   6.483  10.082
   40    H8     A   4           H8         A   4   5.414   2.988  10.469
   41   1H6     A   4          1H6         A   4  -0.261   0.649   9.603
   42   2H6     A   4          2H6         A   4   1.431   0.269   9.941
   43    H2     A   4           H2         A   4  -0.504   5.120   9.224
   44   1H2*    A   4          1H2*        A   4   6.118   5.121  11.361
   45   2H2*    A   4          2H2*        A   4   4.790   6.147  12.125
   46   1H5*    G   5          2H5*        G   5   2.942   9.301  11.016
   47   2H5*    G   5          1H5*        G   5   2.898  10.687  12.134
   48    H4*    G   5           H4*        G   5   0.669   9.763  11.987
   49    H3*    G   5           H3*        G   5   1.911   9.947  14.475
   50    H1*    G   5           H1*        G   5  -0.425   7.351  13.336
   51    H8     G   5           H8         G   5   2.972   5.378  13.535
   52    H1     G   5           H1         G   5  -2.336   1.855  12.598
   53   1H2     G   5          1H2         G   5  -4.090   3.149  12.417
   54   2H2     G   5          2H2         G   5  -3.987   4.909  12.523
   55   1H2*    G   5          1H2*        G   5   2.437   7.596  14.472
   56   2H2*    G   5          2H2*        G   5   0.817   7.623  15.350
   57   1H5*    G   6          2H5*        G   6  -2.925   9.356  14.060
   58   2H5*    G   6          1H5*        G   6  -3.397  10.609  15.236
   59    H4*    G   6           H4*        G   6  -5.214   9.007  14.967
   60    H3*    G   6           H3*        G   6  -4.255   9.634  17.473
   61    H1*    G   6           H1*        G   6  -5.112   6.061  16.419
   62    H8     G   6           H8         G   6  -1.200   6.495  16.461
   63    H1     G   6           H1         G   6  -3.415   0.479  15.848
   64   1H2     G   6          1H2         G   6  -5.600   0.474  15.772
   65   2H2     G   6          2H2         G   6  -6.558   1.955  15.871
   66   1H2*    G   6          1H2*        G   6  -2.886   7.716  17.714
   67   2H2*    G   6          2H2*        G   6  -4.476   7.058  18.374
   68   1H5*    A   7          2H5*        A   7  -8.031   6.919  17.568
   69   2H5*    A   7          1H5*        A   7  -9.108   7.211  18.957
   70    H4*    A   7           H4*        A   7  -8.640   4.793  18.602
   71    H3*    A   7           H3*        A   7  -7.712   6.113  21.136
   72    H1*    A   7           H1*        A   7  -7.021   2.983  18.977
   73    H8     A   7           H8         A   7  -3.883   5.202  19.605
   74   1H6     A   7          1H6         A   7  -0.660  -0.082  19.259
   75   2H6     A   7          2H6         A   7  -0.557   1.676  19.396
   76    H2     A   7           H2         A   7  -5.037  -1.085  19.098
   77   1H2*    A   7          1H2*        A   7  -6.191   4.459  21.499
   78   2H2*    A   7          2H2*        A   7  -7.486   3.191  21.165
   79   1H5*    A   8          2H5*        A   8 -10.326   2.466  20.957
   80   2H5*    A   8          1H5*        A   8 -11.558   2.357  22.241
   81    H4*    A   8           H4*        A   8 -10.625   0.136  21.744
   82    H3*    A   8           H3*        A   8 -10.762   1.122  24.341
   83    H1*    A   8           H1*        A   8  -8.052  -0.988  22.928
   84    H8     A   8           H8         A   8  -6.385   2.552  23.305
   85   1H6     A   8          1H6         A   8  -1.061  -0.439  22.235
   86   2H6     A   8          2H6         A   8  -1.802   1.122  22.603
   87    H2     A   8           H2         A   8  -4.424  -3.408  21.981
   88   1H2*    A   8          1H2*        A   8  -8.437   1.709  24.371
   89   2H2*    A   8          2H2*        A   8  -8.389  -0.007  25.042
   90   1H5*    G   9          2H5*        G   9  -9.227  -3.515  23.928
   91   2H5*    G   9          1H5*        G   9 -10.421  -4.280  25.007
   92    H4*    G   9           H4*        G   9  -8.429  -5.583  25.170
   93    H3*    G   9           H3*        G   9  -9.353  -4.360  27.488
   94    H1*    G   9           H1*        G   9  -5.753  -4.805  26.545
   95    H8     G   9           H8         G   9  -6.492  -0.975  25.999
   96    H1     G   9           H1         G   9  -0.298  -2.740  25.997
   97   1H2     G   9          1H2         G   9  -0.121  -4.903  26.265
   98   2H2     G   9          2H2         G   9  -1.527  -5.956  26.449
   99   1H2*    G   9          1H2*        G   9  -7.730  -2.614  27.423
  100   2H2*    G   9          2H2*        G   9  -6.828  -3.889  28.402
  101   1H5*    A  10          2H5*        A  10  -5.604  -7.561  28.191
  102   2H5*    A  10          1H5*        A  10  -6.312  -8.489  29.536
  103    H4*    A  10           H4*        A  10  -3.945  -8.362  29.934
  104    H3*    A  10           H3*        A  10  -5.695  -7.224  31.817
  105    H1*    A  10           H1*        A  10  -2.256  -6.112  30.844
  106    H8     A  10           H8         A  10  -4.656  -3.239  29.668
  107   1H6     A  10          1H6         A  10   0.552  -0.097  28.468
  108   2H6     A  10          2H6         A  10  -1.213  -0.032  28.482
  109    H2     A  10           H2         A  10   1.678  -4.213  29.876
  110   1H2*    A  10          1H2*        A  10  -5.105  -5.002  31.220
  111   2H2*    A  10          2H2*        A  10  -3.788  -5.362  32.458
  112   1H5*    G  11          2H5*        G  11  -2.287  -7.908  35.865
  113   2H5*    G  11          1H5*        G  11  -2.586  -6.158  36.017
  114    H4*    G  11           H4*        G  11  -1.387  -7.531  33.587
  115    H3*    G  11           H3*        G  11  -0.045  -6.765  35.964
  116    H1*    G  11           H1*        G  11   0.025  -5.228  32.554
  117    H8     G  11           H8         G  11  -2.949  -3.166  33.163
  118    H1     G  11           H1         G  11   2.230   0.498  32.058
  119   1H2     G  11          1H2         G  11   4.057  -0.694  32.219
  120   2H2     G  11          2H2         G  11   4.036  -2.418  32.603
  121   1H2*    G  11          1H2*        G  11  -0.187  -4.454  35.529
  122   2H2*    G  11          2H2*        G  11   1.284  -4.851  34.491
  123   1H5*    A  12          2H5*        A  12   3.164  -7.442  37.574
  124   2H5*    A  12          1H5*        A  12   1.812  -6.353  37.169
  125    H4*    A  12           H4*        A  12   4.726  -5.547  36.973
  126    H3*    A  12           H3*        A  12   3.331  -5.895  39.405
  127    H1*    A  12           H1*        A  12   4.311  -2.775  37.616
  128    H8     A  12           H8         A  12   0.548  -2.356  38.261
  129   1H6     A  12          1H6         A  12   0.861   2.661  34.634
  130   2H6     A  12          2H6         A  12  -0.154   1.728  35.738
  131    H2     A  12           H2         A  12   4.788   0.491  34.383
  132   1H2*    A  12          1H2*        A  12   1.840  -4.113  38.893
  133   2H2*    A  12          2H2*        A  12   3.216  -3.175  39.682
  134   1H5*    A  13          2H5*        A  13   7.537  -3.443  39.097
  135   2H5*    A  13          1H5*        A  13   8.271  -3.917  40.650
  136    H4*    A  13           H4*        A  13   9.211  -1.790  39.846
  137    H3*    A  13           H3*        A  13   8.334  -2.096  42.424
  138    H1*    A  13           H1*        A  13   7.344   1.010  40.322
  139    H8     A  13           H8         A  13   4.417  -1.596  40.614
  140   1H6     A  13          1H6         A  13   0.920   2.854  38.085
  141   2H6     A  13          2H6         A  13   0.931   1.220  38.755
  142    H2     A  13           H2         A  13   5.150   4.352  38.332
  143    H3T    A  13           H3T        A  13   9.345  -0.030  42.748
  144   1H2*    A  13          1H2*        A  13   6.194  -1.150  42.136
  145   2H2*    A  13          2H2*        A  13   7.151   0.387  42.481
  146   1H5*    U  26          1H5*        U  26   0.497  12.750  35.858
  147   2H5*    U  26          2H5*        U  26  -0.532  11.958  37.079
  148    H4*    U  26           H4*        U  26   1.991  12.200  37.608
  149    H3*    U  26           H3*        U  26   2.061   9.940  35.576
  150    H2*    U  26           H2*        U  26   3.808   8.970  36.932
  151   2HO*    U  26          2HO*        U  26   4.743  11.108  37.491
  152    H1*    U  26           H1*        U  26   2.493   9.421  39.330
  153    H3     U  26           H3         U  26   2.360   4.932  38.106
  154    H5     U  26           H5         U  26  -1.219   6.699  36.730
  155    H6     U  26           H6         U  26  -0.276   8.860  37.255
  156   3H5*    U  26          3H5*        U  26  -0.008  11.054  35.645
  157   1H5*    U  25          2H5*        U  25   6.201  10.505  35.881
  158   2H5*    U  25          1H5*        U  25   6.854  10.453  34.224
  159    H4*    U  25           H4*        U  25   7.707   8.631  35.747
  160    H3*    U  25           H3*        U  25   6.054   7.725  33.346
  161    H2*    U  25           H2*        U  25   6.847   5.498  33.954
  162   2HO*    U  25          2HO*        U  25   8.969   6.200  34.716
  163    H1*    U  25           H1*        U  25   6.221   5.872  36.626
  164    H3     U  25           H3         U  25   2.969   3.142  34.887
  165    H5     U  25           H5         U  25   1.707   7.077  34.025
  166    H6     U  25           H6         U  25   3.860   7.865  34.786
  167   1H5*    C  24          2H5*        C  24   9.876   5.657  32.646
  168   2H5*    C  24          1H5*        C  24  10.059   5.623  30.874
  169    H4*    C  24           H4*        C  24   9.938   3.358  32.105
  170    H3*    C  24           H3*        C  24   7.912   3.941  29.894
  171    H2*    C  24           H2*        C  24   7.385   1.587  30.099
  172   2HO*    C  24          2HO*        C  24   8.894   0.233  30.909
  173    H1*    C  24           H1*        C  24   7.482   1.658  32.904
  174   1H4     C  24          1H4         C  24   1.321   2.195  31.226
  175   2H4     C  24          2H4         C  24   1.458   3.949  31.386
  176    H5     C  24           H5         C  24   3.569   5.073  31.787
  177    H6     C  24           H6         C  24   5.986   4.735  32.116
  178   1H5*    U  23          2H5*        U  23  10.361   0.290  29.135
  179   2H5*    U  23          1H5*        U  23  10.405  -0.036  27.384
  180    H4*    U  23           H4*        U  23   9.508  -1.900  28.927
  181    H3*    U  23           H3*        U  23   7.753  -0.869  26.652
  182    H2*    U  23           H2*        U  23   6.341  -2.761  27.187
  183   2HO*    U  23          2HO*        U  23   7.336  -4.493  28.043
  184    H1*    U  23           H1*        U  23   6.563  -2.355  29.948
  185    H3     U  23           H3         U  23   2.244  -1.269  28.945
  186    H5     U  23           H5         U  23   4.500   2.113  27.804
  187    H6     U  23           H6         U  23   6.506   0.834  28.224
  188   1H5*    C  22          2H5*        C  22   8.544  -5.268  26.219
  189   2H5*    C  22          1H5*        C  22   8.306  -5.721  24.512
  190    H4*    C  22           H4*        C  22   6.828  -6.899  26.260
  191    H3*    C  22           H3*        C  22   5.484  -5.354  23.996
  192    H2*    C  22           H2*        C  22   3.455  -6.453  24.783
  193   2HO*    C  22          2HO*        C  22   4.762  -8.433  25.423
  194    H1*    C  22           H1*        C  22   4.010  -5.851  27.436
  195   1H4     C  22          1H4         C  22   0.518  -0.894  25.466
  196   2H4     C  22          2H4         C  22   1.951  -0.128  24.770
  197    H5     C  22           H5         C  22   4.119  -1.210  24.701
  198    H6     C  22           H6         C  22   5.355  -3.258  25.291
  199   1H5*    U  21          2H5*        U  21   3.434  -9.000  23.828
  200   2H5*    U  21          1H5*        U  21   3.412  -9.486  22.114
  201    H4*    U  21           H4*        U  21   1.134  -9.258  23.205
  202    H3*    U  21           H3*        U  21   1.757  -7.419  20.855
  203    H2*    U  21           H2*        U  21  -0.552  -6.789  20.971
  204   2HO*    U  21          2HO*        U  21  -1.773  -8.556  21.435
  205    H1*    U  21           H1*        U  21  -0.637  -6.820  23.794
  206    H3     U  21           H3         U  21  -1.418  -2.502  22.433
  207    H5     U  21           H5         U  21   2.779  -2.957  22.403
  208    H6     U  21           H6         U  21   2.460  -5.322  22.779
  209   1H5*    U  20          2H5*        U  20  -1.629 -10.114  19.702
  210   2H5*    U  20          1H5*        U  20  -1.725 -10.262  17.929
  211    H4*    U  20           H4*        U  20  -3.754  -9.208  19.095
  212    H3*    U  20           H3*        U  20  -2.270  -7.599  16.975
  213    H2*    U  20           H2*        U  20  -4.074  -6.014  17.181
  214   2HO*    U  20          2HO*        U  20  -6.011  -6.812  17.757
  215    H1*    U  20           H1*        U  20  -4.173  -6.177  19.971
  216    H3     U  20           H3         U  20  -2.531  -2.005  19.167
  217    H5     U  20           H5         U  20   0.754  -4.579  18.528
  218    H6     U  20           H6         U  20  -0.753  -6.453  18.756
  219   1H5*    C  19          2H5*        C  19  -6.645  -8.128  15.954
  220   2H5*    C  19          1H5*        C  19  -6.845  -7.942  14.193
  221    H4*    C  19           H4*        C  19  -8.157  -6.321  15.707
  222    H3*    C  19           H3*        C  19  -6.257  -5.212  13.597
  223    H2*    C  19           H2*        C  19  -7.207  -3.057  14.156
  224   2HO*    C  19          2HO*        C  19  -9.400  -3.937  14.509
  225    H1*    C  19           H1*        C  19  -7.094  -3.517  16.901
  226   1H4     C  19          1H4         C  19  -1.612  -0.501  15.736
  227   2H4     C  19          2H4         C  19  -0.902  -1.967  15.051
  228    H5     C  19           H5         C  19  -2.158  -4.019  14.746
  229    H6     C  19           H6         C  19  -4.362  -5.080  15.040
  230   1H5*    C  18          2H5*        C  18 -10.079  -3.170  12.572
  231   2H5*    C  18          1H5*        C  18 -10.086  -3.184  10.790
  232    H4*    C  18           H4*        C  18 -10.169  -0.881  11.896
  233    H3*    C  18           H3*        C  18  -7.855  -1.528  10.026
  234    H2*    C  18           H2*        C  18  -7.245   0.786  10.241
  235   2HO*    C  18          2HO*        C  18  -8.803   2.240  10.699
  236    H1*    C  18           H1*        C  18  -7.787   0.886  12.991
  237   1H4     C  18          1H4         C  18  -1.479   0.002  12.507
  238   2H4     C  18          2H4         C  18  -1.722  -1.748  12.471
  239    H5     C  18           H5         C  18  -3.919  -2.769  12.377
  240    H6     C  18           H6         C  18  -6.338  -2.312  12.299
  241   1H5*    U  17          2H5*        U  17  -9.758   2.092   8.652
  242   2H5*    U  17          1H5*        U  17  -9.705   2.174   6.873
  243    H4*    U  17           H4*        U  17  -8.596   4.116   8.068
  244    H3*    U  17           H3*        U  17  -6.841   2.360   6.302
  245    H2*    U  17           H2*        U  17  -5.126   4.012   6.673
  246   2HO*    U  17          2HO*        U  17  -6.122   5.993   6.714
  247    H1*    U  17           H1*        U  17  -5.705   4.294   9.395
  248    H3     U  17           H3         U  17  -1.647   2.213   9.282
  249    H5     U  17           H5         U  17  -4.445  -0.849   8.498
  250    H6     U  17           H6         U  17  -6.162   0.845   8.360
  251   1H5*    C  16          2H5*        C  16  -6.722   6.538   4.540
  252   2H5*    C  16          1H5*        C  16  -6.245   6.364   2.832
  253    H4*    C  16           H4*        C  16  -4.652   7.687   4.363
  254    H3*    C  16           H3*        C  16  -3.578   5.242   2.884
  255    H2*    C  16           H2*        C  16  -1.404   6.054   3.625
  256   2HO*    C  16          2HO*        C  16  -2.088   8.364   3.433
  257    H1*    C  16           H1*        C  16  -2.305   6.492   6.216
  258   1H4     C  16          1H4         C  16  -0.057   0.532   6.407
  259   2H4     C  16          2H4         C  16  -1.563  -0.089   5.723
  260    H5     C  16           H5         C  16  -3.359   1.354   4.969
  261    H6     C  16           H6         C  16  -4.074   3.698   4.719
  262   1H5*    U  15          2H5*        U  15  -0.700   8.131   1.733
  263   2H5*    U  15          1H5*        U  15  -0.347   7.802   0.018
  264    H4*    U  15           H4*        U  15   1.620   7.587   1.621
  265    H3*    U  15           H3*        U  15   0.800   5.091   0.065
  266    H2*    U  15           H2*        U  15   2.923   4.201   0.878
  267   2HO*    U  15          2HO*        U  15   4.053   6.295   0.792
  268    H1*    U  15           H1*        U  15   2.421   5.072   3.466
  269    H3     U  15           H3         U  15   1.803   0.504   3.297
  270    H5     U  15           H5         U  15  -1.925   2.221   2.308
  271    H6     U  15           H6         U  15  -0.828   4.370   2.184
  272   1H5*    C  14          2H5*        C  14   5.124   5.389  -1.150
  273   2H5*    C  14          1H5*        C  14   4.925   5.449  -2.920
  274    H4*    C  14           H4*        C  14   6.557   3.722  -2.266
  275    H3*    C  14           H3*        C  14   3.918   2.566  -3.265
  276    H2*    C  14           H2*        C  14   5.088   0.442  -3.231
  277   2HO*    C  14          2HO*        C  14   7.166   1.409  -3.925
  278    H1*    C  14           H1*        C  14   6.238   0.934  -0.742
  279   1H4     C  14          1H4         C  14   0.854  -2.326   0.409
  280   2H4     C  14          2H4         C  14  -0.003  -0.800   0.651
  281    H5     C  14           H5         C  14   1.013   1.361   0.231
  282    H6     C  14           H6         C  14   3.069   2.497  -0.510
  283    H3T    C  14           H3T        C  14   5.283   2.271  -5.120
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1   5.408  -9.728   1.457
    2   2H5*    G   1          2H5*        G   1   4.446  -8.608   0.459
    3    H4*    G   1           H4*        G   1   6.897  -7.956   0.972
    4    H3*    G   1           H3*        G   1   6.257  -8.244   3.629
    5    H1*    G   1           H1*        G   1   6.411  -4.819   1.918
    6    H8     G   1           H8         G   1   2.654  -5.976   1.781
    7    H1     G   1           H1         G   1   3.704   0.377   1.652
    8   1H2     G   1          1H2         G   1   5.841   0.801   1.834
    9   2H2     G   1          2H2         G   1   7.053  -0.474   1.992
   10   1H2*    G   1          1H2*        G   1   4.599  -6.551   3.673
   11   2H2*    G   1          2H2*        G   1   6.095  -5.545   4.057
   12   3H5*    G   1          3H5*        G   1   4.225  -8.635   2.219
   13   1H5*    A   2          2H5*        A   2   9.074  -4.366   2.982
   14   2H5*    A   2          1H5*        A   2  10.410  -4.708   4.110
   15    H4*    A   2           H4*        A   2   9.975  -2.342   4.193
   16    H3*    A   2           H3*        A   2   9.755  -3.824   6.541
   17    H1*    A   2           H1*        A   2   7.749  -0.897   5.572
   18    H8     A   2           H8         A   2   5.151  -3.832   5.470
   19   1H6     A   2          1H6         A   2   0.929   0.629   4.630
   20   2H6     A   2          2H6         A   2   1.186  -1.105   4.850
   21    H2     A   2           H2         A   2   4.997   2.535   4.724
   22   1H2*    A   2          1H2*        A   2   7.352  -3.833   6.441
   23   2H2*    A   2          2H2*        A   2   7.679  -2.332   7.459
   24   1H5*    G   3          2H5*        G   3  10.045   0.814   6.416
   25   2H5*    G   3          1H5*        G   3  11.226   1.285   7.665
   26    H4*    G   3           H4*        G   3   9.736   3.157   7.182
   27    H3*    G   3           H3*        G   3  10.108   2.253   9.787
   28    H1*    G   3           H1*        G   3   6.934   3.557   8.330
   29    H8     G   3           H8         G   3   6.316  -0.331   8.524
   30    H1     G   3           H1         G   3   1.117   3.374   7.677
   31   1H2     G   3          1H2         G   3   1.689   5.482   7.575
   32   2H2     G   3          2H2         G   3   3.367   6.019   7.713
   33   1H2*    G   3          1H2*        G   3   8.023   1.074   9.800
   34   2H2*    G   3          2H2*        G   3   7.511   2.720  10.453
   35   1H5*    A   4          2H5*        A   4   7.762   6.484   9.202
   36   2H5*    A   4          1H5*        A   4   8.563   7.543  10.390
   37    H4*    A   4           H4*        A   4   6.214   8.168  10.245
   38    H3*    A   4           H3*        A   4   7.341   7.428  12.703
   39    H1*    A   4           H1*        A   4   3.857   6.842  11.473
   40    H8     A   4           H8         A   4   5.487   3.271  11.644
   41   1H6     A   4          1H6         A   4  -0.274   1.183  10.704
   42   2H6     A   4          2H6         A   4   1.407   0.726  10.998
   43    H2     A   4           H2         A   4  -0.367   5.675  10.607
   44   1H2*    A   4          1H2*        A   4   6.233   5.322  12.713
   45   2H2*    A   4          2H2*        A   4   4.944   6.375  13.503
   46   1H5*    G   5          2H5*        G   5   3.210   9.759  12.580
   47   2H5*    G   5          1H5*        G   5   3.362  11.065  13.783
   48    H4*    G   5           H4*        G   5   1.038  10.430  13.676
   49    H3*    G   5           H3*        G   5   2.373  10.248  16.114
   50    H1*    G   5           H1*        G   5  -0.287   7.987  14.868
   51    H8     G   5           H8         G   5   2.951   5.757  14.766
   52    H1     G   5           H1         G   5  -2.641   2.738  13.721
   53   1H2     G   5          1H2         G   5  -4.293   4.171  13.719
   54   2H2     G   5          2H2         G   5  -4.051   5.901  13.976
   55   1H2*    G   5          1H2*        G   5   2.602   7.867  15.944
   56   2H2*    G   5          2H2*        G   5   1.002   8.017  16.846
   57   1H5*    G   6          2H5*        G   6  -2.429  10.089  15.852
   58   2H5*    G   6          1H5*        G   6  -2.911  11.177  17.179
   59    H4*    G   6           H4*        G   6  -4.689   9.556  16.746
   60    H3*    G   6           H3*        G   6  -3.627   9.888  19.300
   61    H1*    G   6           H1*        G   6  -4.728   6.614  17.767
   62    H8     G   6           H8         G   6  -0.787   6.581  17.774
   63    H1     G   6           H1         G   6  -3.714   0.920  16.846
   64   1H2     G   6          1H2         G   6  -5.886   1.172  16.861
   65   2H2     G   6          2H2         G   6  -6.659   2.743  17.100
   66   1H2*    G   6          1H2*        G   6  -2.372   7.881  19.279
   67   2H2*    G   6          2H2*        G   6  -3.992   7.232  19.872
   68   1H5*    A   7          2H5*        A   7  -7.597   7.397  19.095
   69   2H5*    A   7          1H5*        A   7  -8.648   7.642  20.514
   70    H4*    A   7           H4*        A   7  -8.412   5.237  19.892
   71    H3*    A   7           H3*        A   7  -7.413   6.193  22.554
   72    H1*    A   7           H1*        A   7  -6.962   3.249  20.103
   73    H8     A   7           H8         A   7  -3.639   5.103  20.943
   74   1H6     A   7          1H6         A   7  -0.900  -0.379  20.014
   75   2H6     A   7          2H6         A   7  -0.641   1.337  20.341
   76    H2     A   7           H2         A   7  -5.348  -0.963  19.763
   77   1H2*    A   7          1H2*        A   7  -6.008   4.414  22.745
   78   2H2*    A   7          2H2*        A   7  -7.394   3.279  22.312
   79   1H5*    A   8          2H5*        A   8 -10.274   2.728  22.103
   80   2H5*    A   8          1H5*        A   8 -11.476   2.588  23.412
   81    H4*    A   8           H4*        A   8 -10.631   0.370  22.750
   82    H3*    A   8           H3*        A   8 -10.643   1.235  25.416
   83    H1*    A   8           H1*        A   8  -8.114  -0.965  23.736
   84    H8     A   8           H8         A   8  -6.267   2.451  24.369
   85   1H6     A   8          1H6         A   8  -1.108  -0.719  23.044
   86   2H6     A   8          2H6         A   8  -1.767   0.849  23.520
   87    H2     A   8           H2         A   8  -4.615  -3.499  22.640
   88   1H2*    A   8          1H2*        A   8  -8.292   1.552  25.503
   89   2H2*    A   8          2H2*        A   8  -8.394  -0.236  25.941
   90   1H5*    G   9          2H5*        G   9  -9.657  -3.408  24.598
   91   2H5*    G   9          1H5*        G   9 -10.782  -4.239  25.702
   92    H4*    G   9           H4*        G   9  -8.801  -5.591  25.536
   93    H3*    G   9           H3*        G   9  -9.537  -4.561  28.049
   94    H1*    G   9           H1*        G   9  -6.078  -5.198  26.715
   95    H8     G   9           H8         G   9  -6.455  -1.281  26.907
   96    H1     G   9           H1         G   9  -0.493  -3.560  26.052
   97   1H2     G   9          1H2         G   9  -0.520  -5.743  25.934
   98   2H2     G   9          2H2         G   9  -2.009  -6.684  26.065
   99   1H2*    G   9          1H2*        G   9  -7.729  -3.042  28.165
  100   2H2*    G   9          2H2*        G   9  -6.896  -4.557  28.803
  101   1H5*    A  10          2H5*        A  10  -6.322  -8.085  27.847
  102   2H5*    A  10          1H5*        A  10  -6.769  -9.237  29.131
  103    H4*    A  10           H4*        A  10  -4.331  -9.144  28.899
  104    H3*    A  10           H3*        A  10  -5.623  -8.576  31.375
  105    H1*    A  10           H1*        A  10  -2.382  -7.314  29.902
  106    H8     A  10           H8         A  10  -4.786  -4.216  30.219
  107   1H6     A  10          1H6         A  10   0.293  -0.848  29.084
  108   2H6     A  10          2H6         A  10  -1.436  -0.794  29.439
  109    H2     A  10           H2         A  10   1.426  -5.195  28.964
  110   1H2*    A  10          1H2*        A  10  -4.862  -6.361  31.453
  111   2H2*    A  10          2H2*        A  10  -3.318  -7.184  32.032
  112   1H5*    G  11          2H5*        G  11  -1.077 -10.054  31.054
  113   2H5*    G  11          1H5*        G  11  -0.952 -11.275  32.347
  114    H4*    G  11           H4*        G  11   1.234 -10.269  31.964
  115    H3*    G  11           H3*        G  11   0.073 -10.265  34.510
  116    H1*    G  11           H1*        G  11   2.198  -7.516  32.985
  117    H8     G  11           H8         G  11  -1.527  -6.229  33.007
  118    H1     G  11           H1         G  11   3.054  -1.779  32.178
  119   1H2     G  11          1H2         G  11   5.034  -2.709  32.193
  120   2H2     G  11          2H2         G  11   5.265  -4.447  32.408
  121   1H2*    G  11          1H2*        G  11  -0.414  -7.958  34.536
  122   2H2*    G  11          2H2*        G  11   1.341  -7.895  35.094
  123   1H5*    A  12          2H5*        A  12   4.629  -8.717  34.491
  124   2H5*    A  12          1H5*        A  12   5.398  -9.624  35.818
  125    H4*    A  12           H4*        A  12   6.216  -7.333  35.850
  126    H3*    A  12           H3*        A  12   4.794  -8.401  38.098
  127    H1*    A  12           H1*        A  12   5.231  -4.911  36.753
  128    H8     A  12           H8         A  12   1.398  -5.563  37.077
  129   1H6     A  12          1H6         A  12   0.725   0.199  34.892
  130   2H6     A  12          2H6         A  12  -0.111  -1.213  35.546
  131    H2     A  12           H2         A  12   5.092  -0.850  34.784
  132   1H2*    A  12          1H2*        A  12   3.109  -6.780  37.973
  133   2H2*    A  12          2H2*        A  12   4.397  -5.738  38.780
  134   1H5*    A  13          2H5*        A  13   8.904  -5.749  38.703
  135   2H5*    A  13          1H5*        A  13   9.335  -5.850  40.429
  136    H4*    A  13           H4*        A  13   9.971  -3.665  39.528
  137    H3*    A  13           H3*        A  13   7.570  -3.593  41.383
  138    H1*    A  13           H1*        A  13   8.156  -1.212  38.411
  139    H8     A  13           H8         A  13   5.579  -3.843  39.656
  140   1H6     A  13          1H6         A  13   1.264   0.341  38.139
  141   2H6     A  13          2H6         A  13   1.554  -1.310  38.696
  142    H2     A  13           H2         A  13   5.306   2.234  37.628
  143    H3T    A  13           H3T        A  13   9.226  -2.633  42.698
  144   1H2*    A  13          1H2*        A  13   7.576  -1.215  41.147
  145   2H2*    A  13          2H2*        A  13   9.248  -1.242  40.371
  146   1H5*    U  26          1H5*        U  26  -0.795  10.127  36.489
  147   2H5*    U  26          2H5*        U  26  -1.429   9.139  37.829
  148    H4*    U  26           H4*        U  26   1.080   9.774  37.887
  149    H3*    U  26           H3*        U  26   1.089   7.648  35.720
  150    H2*    U  26           H2*        U  26   3.160   6.859  36.659
  151   2HO*    U  26          2HO*        U  26   4.041   8.955  37.196
  152    H1*    U  26           H1*        U  26   2.315   7.015  39.296
  153    H3     U  26           H3         U  26   2.499   2.591  37.924
  154    H5     U  26           H5         U  26  -1.434   3.924  37.167
  155    H6     U  26           H6         U  26  -0.695   6.173  37.649
  156   3H5*    U  26          3H5*        U  26  -1.063   8.379  36.269
  157   1H5*    U  25          2H5*        U  25   5.084   9.035  35.225
  158   2H5*    U  25          1H5*        U  25   5.424   9.099  33.477
  159    H4*    U  25           H4*        U  25   6.816   7.429  34.792
  160    H3*    U  25           H3*        U  25   4.999   6.354  32.596
  161    H2*    U  25           H2*        U  25   6.080   4.235  32.979
  162   2HO*    U  25          2HO*        U  25   8.058   4.170  33.930
  163    H1*    U  25           H1*        U  25   6.037   4.485  35.765
  164    H3     U  25           H3         U  25   3.069   1.154  34.723
  165    H5     U  25           H5         U  25   0.940   4.755  34.153
  166    H6     U  25           H6         U  25   3.014   5.954  34.465
  167   1H5*    C  24          2H5*        C  24   9.105   4.966  31.961
  168   2H5*    C  24          1H5*        C  24   9.409   4.769  30.216
  169    H4*    C  24           H4*        C  24   9.734   2.677  31.622
  170    H3*    C  24           H3*        C  24   7.589   2.602  29.457
  171    H2*    C  24           H2*        C  24   7.458   0.242  29.939
  172   2HO*    C  24          2HO*        C  24   9.093  -0.778  31.044
  173    H1*    C  24           H1*        C  24   7.604   0.612  32.713
  174   1H4     C  24          1H4         C  24   1.358   0.107  31.563
  175   2H4     C  24          2H4         C  24   1.289   1.787  31.020
  176    H5     C  24           H5         C  24   3.261   3.181  30.802
  177    H6     C  24           H6         C  24   5.710   3.241  31.062
  178   1H5*    U  23          2H5*        U  23  10.212  -0.761  28.908
  179   2H5*    U  23          1H5*        U  23  10.407  -1.102  27.170
  180    H4*    U  23           H4*        U  23   9.498  -3.028  28.534
  181    H3*    U  23           H3*        U  23   7.683  -1.886  26.368
  182    H2*    U  23           H2*        U  23   6.255  -3.767  26.828
  183   2HO*    U  23          2HO*        U  23   7.075  -5.568  27.789
  184    H1*    U  23           H1*        U  23   6.601  -3.602  29.610
  185    H3     U  23           H3         U  23   2.233  -2.480  28.934
  186    H5     U  23           H5         U  23   4.403   0.988  27.891
  187    H6     U  23           H6         U  23   6.437  -0.297  28.114
  188   1H5*    C  22          2H5*        C  22   8.158  -6.185  25.775
  189   2H5*    C  22          1H5*        C  22   8.059  -6.566  24.037
  190    H4*    C  22           H4*        C  22   6.341  -7.727  25.504
  191    H3*    C  22           H3*        C  22   5.301  -5.835  23.350
  192    H2*    C  22           H2*        C  22   3.123  -6.722  23.903
  193   2HO*    C  22          2HO*        C  22   2.929  -8.589  25.127
  194    H1*    C  22           H1*        C  22   3.597  -6.644  26.661
  195   1H4     C  22          1H4         C  22   0.491  -1.207  25.475
  196   2H4     C  22          2H4         C  22   1.982  -0.445  24.911
  197    H5     C  22           H5         C  22   4.073  -1.651  24.684
  198    H6     C  22           H6         C  22   5.158  -3.845  24.956
  199   1H5*    U  21          2H5*        U  21   3.319  -9.574  22.951
  200   2H5*    U  21          1H5*        U  21   3.124  -9.990  21.229
  201    H4*    U  21           H4*        U  21   0.967  -9.937  22.539
  202    H3*    U  21           H3*        U  21   1.269  -7.895  20.298
  203    H2*    U  21           H2*        U  21  -1.026  -7.348  20.703
  204   2HO*    U  21          2HO*        U  21  -2.354  -8.872  21.532
  205    H1*    U  21           H1*        U  21  -0.822  -7.595  23.508
  206    H3     U  21           H3         U  21  -1.781  -3.192  22.758
  207    H5     U  21           H5         U  21   2.338  -3.564  21.911
  208    H6     U  21           H6         U  21   2.100  -5.959  22.129
  209   1H5*    U  20          2H5*        U  20  -2.371 -10.211  19.590
  210   2H5*    U  20          1H5*        U  20  -2.692 -10.318  17.840
  211    H4*    U  20           H4*        U  20  -4.514  -9.190  19.199
  212    H3*    U  20           H3*        U  20  -3.105  -7.520  17.074
  213    H2*    U  20           H2*        U  20  -4.783  -5.853  17.528
  214   2HO*    U  20          2HO*        U  20  -6.677  -6.414  18.516
  215    H1*    U  20           H1*        U  20  -4.681  -6.219  20.304
  216    H3     U  20           H3         U  20  -2.849  -2.098  19.774
  217    H5     U  20           H5         U  20   0.170  -4.748  18.477
  218    H6     U  20           H6         U  20  -1.417  -6.557  18.693
  219   1H5*    C  19          2H5*        C  19  -7.413  -7.371  16.476
  220   2H5*    C  19          1H5*        C  19  -7.778  -7.222  14.738
  221    H4*    C  19           H4*        C  19  -8.698  -5.365  16.207
  222    H3*    C  19           H3*        C  19  -6.690  -4.591  14.047
  223    H2*    C  19           H2*        C  19  -7.250  -2.316  14.603
  224   2HO*    C  19          2HO*        C  19  -9.117  -1.849  15.710
  225    H1*    C  19           H1*        C  19  -7.298  -2.802  17.368
  226   1H4     C  19          1H4         C  19  -1.511  -0.351  16.309
  227   2H4     C  19          2H4         C  19  -0.918  -1.919  15.749
  228    H5     C  19           H5         C  19  -2.358  -3.852  15.484
  229    H6     C  19           H6         C  19  -4.670  -4.672  15.705
  230   1H5*    C  18          2H5*        C  18 -10.225  -2.176  13.603
  231   2H5*    C  18          1H5*        C  18 -10.557  -1.888  11.875
  232    H4*    C  18           H4*        C  18 -10.282   0.212  13.244
  233    H3*    C  18           H3*        C  18  -8.205  -0.285  11.069
  234    H2*    C  18           H2*        C  18  -7.433   1.945  11.548
  235   2HO*    C  18          2HO*        C  18  -8.754   3.387  12.569
  236    H1*    C  18           H1*        C  18  -7.677   1.645  14.325
  237   1H4     C  18          1H4         C  18  -1.523   0.466  13.156
  238   2H4     C  18          2H4         C  18  -1.904  -1.189  12.670
  239    H5     C  18           H5         C  18  -4.176  -2.019  12.492
  240    H6     C  18           H6         C  18  -6.551  -1.421  12.748
  241   1H5*    U  17          2H5*        U  17  -9.909   3.627  10.480
  242   2H5*    U  17          1H5*        U  17 -10.012   4.000   8.741
  243    H4*    U  17           H4*        U  17  -8.642   5.641  10.090
  244    H3*    U  17           H3*        U  17  -7.172   4.052   7.943
  245    H2*    U  17           H2*        U  17  -5.312   5.508   8.398
  246   2HO*    U  17          2HO*        U  17  -5.635   7.460   9.376
  247    H1*    U  17           H1*        U  17  -5.699   5.464  11.179
  248    H3     U  17           H3         U  17  -1.765   3.248  10.553
  249    H5     U  17           H5         U  17  -4.745   0.452   9.494
  250    H6     U  17           H6         U  17  -6.382   2.218   9.695
  251   1H5*    C  16          2H5*        C  16  -6.491   8.302   7.325
  252   2H5*    C  16          1H5*        C  16  -6.292   8.636   5.586
  253    H4*    C  16           H4*        C  16  -4.325   9.296   7.049
  254    H3*    C  16           H3*        C  16  -3.839   7.185   4.904
  255    H2*    C  16           H2*        C  16  -1.505   7.430   5.457
  256   2HO*    C  16          2HO*        C  16  -0.789   9.212   6.574
  257    H1*    C  16           H1*        C  16  -1.979   7.531   8.219
  258   1H4     C  16          1H4         C  16  -0.441   1.442   7.137
  259   2H4     C  16          2H4         C  16  -2.076   1.099   6.563
  260    H5     C  16           H5         C  16  -3.765   2.819   6.297
  261    H6     C  16           H6         C  16  -4.224   5.227   6.530
  262   1H5*    U  15          2H5*        U  15  -0.932  10.326   4.422
  263   2H5*    U  15          1H5*        U  15  -0.656  10.627   2.687
  264    H4*    U  15           H4*        U  15   1.433  10.065   3.970
  265    H3*    U  15           H3*        U  15   0.568   8.070   1.837
  266    H2*    U  15           H2*        U  15   2.656   6.964   2.249
  267   2HO*    U  15          2HO*        U  15   4.342   8.098   3.068
  268    H1*    U  15           H1*        U  15   2.549   7.333   5.037
  269    H3     U  15           H3         U  15   2.182   2.825   4.489
  270    H5     U  15           H5         U  15  -1.635   4.331   3.498
  271    H6     U  15           H6         U  15  -0.721   6.562   3.645
  272   1H5*    C  14          2H5*        C  14   4.727   9.323   1.104
  273   2H5*    C  14          1H5*        C  14   5.043   9.296  -0.649
  274    H4*    C  14           H4*        C  14   6.580   7.829   0.717
  275    H3*    C  14           H3*        C  14   4.761   6.429  -1.288
  276    H2*    C  14           H2*        C  14   6.045   4.448  -0.784
  277   2HO*    C  14          2HO*        C  14   8.129   5.453  -0.592
  278    H1*    C  14           H1*        C  14   6.079   4.946   1.968
  279   1H4     C  14          1H4         C  14   1.152   0.978   1.267
  280   2H4     C  14          2H4         C  14   0.145   2.276   0.619
  281    H5     C  14           H5         C  14   0.989   4.509   0.192
  282    H6     C  14           H6         C  14   2.983   5.950   0.302
  283    H3T    C  14           H3T        C  14   6.796   6.396  -2.406
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1   4.775  -9.415   4.981
    2   2H5*    G   1          2H5*        G   1   3.276  -9.144   4.055
    3    H4*    G   1           H4*        G   1   5.524  -8.955   2.785
    4    H3*    G   1           H3*        G   1   6.229  -7.081   4.689
    5    H1*    G   1           H1*        G   1   5.117  -6.209   1.165
    6    H8     G   1           H8         G   1   1.579  -6.655   2.380
    7    H1     G   1           H1         G   1   2.632  -0.876  -0.261
    8   1H2     G   1          1H2         G   1   4.776  -0.540  -0.532
    9   2H2     G   1          2H2         G   1   5.992  -1.735  -0.067
   10   1H2*    G   1          1H2*        G   1   4.548  -5.512   4.098
   11   2H2*    G   1          2H2*        G   1   5.896  -4.991   2.954
   12   3H5*    G   1          3H5*        G   1   3.912  -7.860   5.100
   13   1H5*    A   2          2H5*        A   2   8.847  -4.392   1.582
   14   2H5*    A   2          1H5*        A   2  10.267  -4.527   2.651
   15    H4*    A   2           H4*        A   2   9.739  -2.186   2.401
   16    H3*    A   2           H3*        A   2   9.782  -3.301   4.954
   17    H1*    A   2           H1*        A   2   7.597  -0.613   3.742
   18    H8     A   2           H8         A   2   5.101  -3.293   4.936
   19   1H6     A   2          1H6         A   2   0.669   0.350   2.587
   20   2H6     A   2          2H6         A   2   1.005  -1.093   3.548
   21    H2     A   2           H2         A   2   4.660   2.024   1.378
   22   1H2*    A   2          1H2*        A   2   7.379  -3.397   5.062
   23   2H2*    A   2          2H2*        A   2   7.726  -1.755   5.823
   24   1H5*    G   3          2H5*        G   3  10.012   1.566   4.434
   25   2H5*    G   3          1H5*        G   3  11.237   1.963   5.666
   26    H4*    G   3           H4*        G   3   9.763   3.873   5.300
   27    H3*    G   3           H3*        G   3  10.252   2.940   7.844
   28    H1*    G   3           H1*        G   3   6.916   4.114   6.672
   29    H8     G   3           H8         G   3   6.590   0.192   6.724
   30    H1     G   3           H1         G   3   1.124   3.519   6.000
   31   1H2     G   3          1H2         G   3   1.540   5.664   5.923
   32   2H2     G   3          2H2         G   3   3.176   6.320   6.049
   33   1H2*    G   3          1H2*        G   3   8.244   1.610   7.881
   34   2H2*    G   3          2H2*        G   3   7.684   3.176   8.676
   35   1H5*    A   4          2H5*        A   4   7.578   6.978   7.523
   36   2H5*    A   4          1H5*        A   4   8.379   8.066   8.685
   37    H4*    A   4           H4*        A   4   6.025   8.584   8.722
   38    H3*    A   4           H3*        A   4   7.261   7.715  11.084
   39    H1*    A   4           H1*        A   4   3.780   7.151   9.937
   40    H8     A   4           H8         A   4   5.377   3.564   9.814
   41   1H6     A   4          1H6         A   4  -0.430   1.591   8.916
   42   2H6     A   4          2H6         A   4   1.253   1.102   9.128
   43    H2     A   4           H2         A   4  -0.479   6.080   9.110
   44   1H2*    A   4          1H2*        A   4   6.234   5.561  10.924
   45   2H2*    A   4          2H2*        A   4   4.959   6.485  11.883
   46   1H5*    G   5          2H5*        G   5   3.019   9.830  11.292
   47   2H5*    G   5          1H5*        G   5   3.181  11.070  12.562
   48    H4*    G   5           H4*        G   5   0.886  10.361  12.545
   49    H3*    G   5           H3*        G   5   2.342  10.056  14.891
   50    H1*    G   5           H1*        G   5  -0.279   7.787  13.631
   51    H8     G   5           H8         G   5   3.006   5.689  13.096
   52    H1     G   5           H1         G   5  -2.562   2.552  12.299
   53   1H2     G   5          1H2         G   5  -4.251   3.918  12.549
   54   2H2     G   5          2H2         G   5  -4.039   5.633  12.918
   55   1H2*    G   5          1H2*        G   5   2.689   7.709  14.475
   56   2H2*    G   5          2H2*        G   5   1.164   7.693  15.509
   57   1H5*    G   6          2H5*        G   6  -2.562   9.656  14.914
   58   2H5*    G   6          1H5*        G   6  -2.819  10.775  16.277
   59    H4*    G   6           H4*        G   6  -4.737   9.302  16.099
   60    H3*    G   6           H3*        G   6  -3.353   9.495  18.487
   61    H1*    G   6           H1*        G   6  -4.641   6.168  17.048
   62    H8     G   6           H8         G   6  -0.730   6.413  16.700
   63    H1     G   6           H1         G   6  -3.380   0.708  15.319
   64   1H2     G   6          1H2         G   6  -5.557   0.817  15.488
   65   2H2     G   6          2H2         G   6  -6.402   2.299  15.945
   66   1H2*    G   6          1H2*        G   6  -2.173   7.467  18.297
   67   2H2*    G   6          2H2*        G   6  -3.739   6.826  19.028
   68   1H5*    A   7          2H5*        A   7  -7.490   7.186  18.865
   69   2H5*    A   7          1H5*        A   7  -8.208   7.409  20.480
   70    H4*    A   7           H4*        A   7  -8.268   5.038  19.739
   71    H3*    A   7           H3*        A   7  -6.584   5.761  22.126
   72    H1*    A   7           H1*        A   7  -6.746   2.902  19.471
   73    H8     A   7           H8         A   7  -3.411   4.825  20.189
   74   1H6     A   7          1H6         A   7  -0.608  -0.326  18.178
   75   2H6     A   7          2H6         A   7  -0.371   1.332  18.740
   76    H2     A   7           H2         A   7  -5.039  -1.066  18.248
   77   1H2*    A   7          1H2*        A   7  -5.475   3.774  22.046
   78   2H2*    A   7          2H2*        A   7  -7.036   2.873  21.660
   79   1H5*    A   8          2H5*        A   8  -9.908   2.764  22.130
   80   2H5*    A   8          1H5*        A   8 -10.841   2.659  23.645
   81    H4*    A   8           H4*        A   8 -10.539   0.429  22.636
   82    H3*    A   8           H3*        A   8  -9.784   1.029  25.309
   83    H1*    A   8           H1*        A   8  -7.939  -1.347  22.791
   84    H8     A   8           H8         A   8  -5.955   1.890  23.824
   85   1H6     A   8          1H6         A   8  -1.094  -0.908  21.184
   86   2H6     A   8          2H6         A   8  -1.650   0.529  22.047
   87    H2     A   8           H2         A   8  -4.675  -3.587  20.746
   88   1H2*    A   8          1H2*        A   8  -7.545   0.538  25.137
   89   2H2*    A   8          2H2*        A   8  -8.111  -1.213  25.021
   90   1H5*    G   9          2H5*        G   9 -10.040  -3.431  24.570
   91   2H5*    G   9          1H5*        G   9 -10.878  -4.275  25.897
   92    H4*    G   9           H4*        G   9  -8.804  -5.444  25.312
   93    H3*    G   9           H3*        G   9  -9.343  -4.576  27.950
   94    H1*    G   9           H1*        G   9  -6.044  -4.899  26.160
   95    H8     G   9           H8         G   9  -6.577  -1.081  26.938
   96    H1     G   9           H1         G   9  -0.819  -2.750  24.585
   97   1H2     G   9          1H2         G   9  -0.770  -4.889  24.131
   98   2H2     G   9          2H2         G   9  -2.158  -5.949  24.399
   99   1H2*    G   9          1H2*        G   9  -7.607  -2.988  27.996
  100   2H2*    G   9          2H2*        G   9  -6.617  -4.495  28.379
  101   1H5*    A  10          2H5*        A  10  -6.201  -7.985  26.894
  102   2H5*    A  10          1H5*        A  10  -6.517  -9.259  28.099
  103    H4*    A  10           H4*        A  10  -4.191  -9.382  27.386
  104    H3*    A  10           H3*        A  10  -4.852  -9.111  30.092
  105    H1*    A  10           H1*        A  10  -1.884  -7.616  28.308
  106    H8     A  10           H8         A  10  -4.264  -4.638  29.262
  107   1H6     A  10          1H6         A  10   0.475  -1.016  27.574
  108   2H6     A  10          2H6         A  10  -1.166  -1.050  28.228
  109    H2     A  10           H2         A  10   1.645  -5.295  26.863
  110   1H2*    A  10          1H2*        A  10  -4.158  -6.853  30.232
  111   2H2*    A  10          2H2*        A  10  -2.545  -7.691  30.534
  112   1H5*    G  11          2H5*        G  11  -0.306 -10.963  32.614
  113   2H5*    G  11          1H5*        G  11  -0.732  -9.232  32.599
  114    H4*    G  11           H4*        G  11   1.634 -10.472  31.141
  115    H3*    G  11           H3*        G  11   1.644  -9.972  33.837
  116    H1*    G  11           H1*        G  11   2.977  -7.459  31.313
  117    H8     G  11           H8         G  11  -0.789  -6.550  31.259
  118    H1     G  11           H1         G  11   3.247  -1.532  31.228
  119   1H2     G  11          1H2         G  11   5.304  -2.205  31.546
  120   2H2     G  11          2H2         G  11   5.723  -3.906  31.772
  121   1H2*    G  11          1H2*        G  11   1.017  -7.681  33.659
  122   2H2*    G  11          2H2*        G  11   2.853  -7.536  33.600
  123   1H5*    A  12          2H5*        A  12   4.556  -9.451  36.601
  124   2H5*    A  12          1H5*        A  12   3.250  -8.534  35.808
  125    H4*    A  12           H4*        A  12   6.018  -7.365  36.115
  126    H3*    A  12           H3*        A  12   4.445  -7.952  38.368
  127    H1*    A  12           H1*        A  12   4.998  -4.632  36.727
  128    H8     A  12           H8         A  12   1.165  -5.208  36.670
  129   1H6     A  12          1H6         A  12   0.851   0.122  33.520
  130   2H6     A  12          2H6         A  12  -0.079  -1.155  34.312
  131    H2     A  12           H2         A  12   5.180  -0.976  34.009
  132   1H2*    A  12          1H2*        A  12   2.718  -6.452  37.722
  133   2H2*    A  12          2H2*        A  12   3.823  -5.304  38.649
  134   1H5*    A  13          2H5*        A  13   8.447  -4.942  39.042
  135   2H5*    A  13          1H5*        A  13   8.591  -4.948  40.818
  136    H4*    A  13           H4*        A  13   9.313  -2.789  39.950
  137    H3*    A  13           H3*        A  13   6.626  -2.739  41.343
  138    H1*    A  13           H1*        A  13   7.554  -0.470  38.355
  139    H8     A  13           H8         A  13   5.068  -3.318  39.225
  140   1H6     A  13          1H6         A  13   0.687   0.392  36.885
  141   2H6     A  13          2H6         A  13   1.039  -1.217  37.523
  142    H2     A  13           H2         A  13   4.547   2.687  37.036
  143    H3T    A  13           H3T        A  13   7.977  -1.585  42.839
  144   1H2*    A  13          1H2*        A  13   6.513  -0.392  40.940
  145   2H2*    A  13          2H2*        A  13   8.295  -0.328  40.474
  146   1H5*    U  26          1H5*        U  26  -1.599  10.145  34.682
  147   2H5*    U  26          2H5*        U  26  -2.399   9.173  35.942
  148    H4*    U  26           H4*        U  26   0.081   9.814  36.313
  149    H3*    U  26           H3*        U  26   0.376   7.630  34.219
  150    H2*    U  26           H2*        U  26   2.339   6.932  35.426
  151   2HO*    U  26          2HO*        U  26   2.990   9.176  35.947
  152    H1*    U  26           H1*        U  26   1.164   7.196  37.936
  153    H3     U  26           H3         U  26   1.739   2.725  36.823
  154    H5     U  26           H5         U  26  -2.146   3.802  35.572
  155    H6     U  26           H6         U  26  -1.577   6.109  36.010
  156   3H5*    U  26          3H5*        U  26  -1.836   8.394  34.452
  157   1H5*    U  25          2H5*        U  25   4.451   9.019  34.280
  158   2H5*    U  25          1H5*        U  25   4.954   9.075  32.572
  159    H4*    U  25           H4*        U  25   6.274   7.478  34.043
  160    H3*    U  25           H3*        U  25   4.723   6.296  31.701
  161    H2*    U  25           H2*        U  25   5.888   4.242  32.222
  162   2HO*    U  25          2HO*        U  25   7.938   4.905  32.849
  163    H1*    U  25           H1*        U  25   5.506   4.507  34.972
  164    H3     U  25           H3         U  25   2.738   1.086  33.795
  165    H5     U  25           H5         U  25   0.677   4.576  32.612
  166    H6     U  25           H6         U  25   2.658   5.850  33.152
  167   1H5*    C  24          2H5*        C  24   9.207   5.498  30.812
  168   2H5*    C  24          1H5*        C  24   9.260   5.078  29.081
  169    H4*    C  24           H4*        C  24   9.947   3.265  30.811
  170    H3*    C  24           H3*        C  24   7.776   2.653  28.753
  171    H2*    C  24           H2*        C  24   8.067   0.351  29.524
  172   2HO*    C  24          2HO*        C  24  10.437   0.720  29.939
  173    H1*    C  24           H1*        C  24   7.957   1.123  32.184
  174   1H4     C  24          1H4         C  24   1.858  -0.040  30.760
  175   2H4     C  24          2H4         C  24   1.697   1.549  30.006
  176    H5     C  24           H5         C  24   3.566   3.068  29.725
  177    H6     C  24           H6         C  24   5.980   3.366  30.113
  178   1H5*    U  23          2H5*        U  23  10.272  -0.721  28.292
  179   2H5*    U  23          1H5*        U  23  10.371  -1.000  26.535
  180    H4*    U  23           H4*        U  23   9.417  -2.907  27.940
  181    H3*    U  23           H3*        U  23   7.617  -1.711  25.780
  182    H2*    U  23           H2*        U  23   6.241  -3.673  26.210
  183   2HO*    U  23          2HO*        U  23   7.118  -5.414  27.215
  184    H1*    U  23           H1*        U  23   6.482  -3.372  28.976
  185    H3     U  23           H3         U  23   2.187  -2.258  27.702
  186    H5     U  23           H5         U  23   4.457   1.288  27.391
  187    H6     U  23           H6         U  23   6.448  -0.034  27.744
  188   1H5*    C  22          2H5*        C  22   7.778  -5.811  24.996
  189   2H5*    C  22          1H5*        C  22   7.973  -6.084  23.246
  190    H4*    C  22           H4*        C  22   5.974  -7.232  24.327
  191    H3*    C  22           H3*        C  22   5.415  -5.197  22.124
  192    H2*    C  22           H2*        C  22   3.152  -5.954  22.257
  193   2HO*    C  22          2HO*        C  22   2.772  -8.016  22.858
  194    H1*    C  22           H1*        C  22   3.206  -6.301  25.075
  195   1H4     C  22          1H4         C  22  -0.087  -0.948  23.744
  196   2H4     C  22          2H4         C  22   1.353  -0.019  24.174
  197    H5     C  22           H5         C  22   3.497  -1.051  24.637
  198    H6     C  22           H6         C  22   4.696  -3.198  24.780
  199   1H5*    U  21          2H5*        U  21   3.701  -9.250  21.157
  200   2H5*    U  21          1H5*        U  21   3.588  -9.408  19.386
  201    H4*    U  21           H4*        U  21   1.407  -9.670  20.724
  202    H3*    U  21           H3*        U  21   1.610  -7.576  18.526
  203    H2*    U  21           H2*        U  21  -0.723  -7.170  18.885
  204   2HO*    U  21          2HO*        U  21  -1.619  -9.186  19.235
  205    H1*    U  21           H1*        U  21  -0.577  -7.364  21.681
  206    H3     U  21           H3         U  21  -1.523  -2.970  21.080
  207    H5     U  21           H5         U  21   2.511  -3.322  19.886
  208    H6     U  21           H6         U  21   2.306  -5.717  20.132
  209   1H5*    U  20          2H5*        U  20  -1.841 -10.272  17.265
  210   2H5*    U  20          1H5*        U  20  -1.996 -10.058  15.503
  211    H4*    U  20           H4*        U  20  -3.947  -9.238  17.011
  212    H3*    U  20           H3*        U  20  -2.632  -7.357  15.007
  213    H2*    U  20           H2*        U  20  -4.402  -5.816  15.570
  214   2HO*    U  20          2HO*        U  20  -6.285  -6.696  16.201
  215    H1*    U  20           H1*        U  20  -4.243  -6.327  18.312
  216    H3     U  20           H3         U  20  -2.569  -2.118  17.967
  217    H5     U  20           H5         U  20   0.542  -4.594  16.549
  218    H6     U  20           H6         U  20  -0.978  -6.468  16.681
  219   1H5*    C  19          2H5*        C  19  -7.095  -7.641  14.240
  220   2H5*    C  19          1H5*        C  19  -7.373  -7.175  12.543
  221    H4*    C  19           H4*        C  19  -8.516  -5.752  14.364
  222    H3*    C  19           H3*        C  19  -6.680  -4.419  12.330
  223    H2*    C  19           H2*        C  19  -7.475  -2.334  13.265
  224   2HO*    C  19          2HO*        C  19  -9.688  -3.109  13.623
  225    H1*    C  19           H1*        C  19  -7.238  -3.214  15.898
  226   1H4     C  19          1H4         C  19  -1.657  -0.330  14.888
  227   2H4     C  19          2H4         C  19  -1.087  -1.678  13.899
  228    H5     C  19           H5         C  19  -2.484  -3.576  13.330
  229    H6     C  19           H6         C  19  -4.723  -4.566  13.598
  230   1H5*    C  18          2H5*        C  18 -10.530  -2.118  11.861
  231   2H5*    C  18          1H5*        C  18 -10.546  -1.741  10.119
  232    H4*    C  18           H4*        C  18 -10.547   0.254  11.735
  233    H3*    C  18           H3*        C  18  -8.293   0.013   9.695
  234    H2*    C  18           H2*        C  18  -7.709   2.261  10.395
  235   2HO*    C  18          2HO*        C  18  -9.987   2.921  10.706
  236    H1*    C  18           H1*        C  18  -8.007   1.664  13.100
  237   1H4     C  18          1H4         C  18  -1.812   0.699  11.901
  238   2H4     C  18          2H4         C  18  -2.154  -0.961  11.402
  239    H5     C  18           H5         C  18  -4.406  -1.840  11.207
  240    H6     C  18           H6         C  18  -6.795  -1.296  11.456
  241   1H5*    U  17          2H5*        U  17  -9.919   3.959   8.789
  242   2H5*    U  17          1H5*        U  17  -9.873   4.090   7.012
  243    H4*    U  17           H4*        U  17  -8.523   5.835   8.302
  244    H3*    U  17           H3*        U  17  -7.043   4.014   6.355
  245    H2*    U  17           H2*        U  17  -5.155   5.464   6.745
  246   2HO*    U  17          2HO*        U  17  -5.780   7.537   7.049
  247    H1*    U  17           H1*        U  17  -5.618   5.637   9.503
  248    H3     U  17           H3         U  17  -1.744   3.244   8.922
  249    H5     U  17           H5         U  17  -4.872   0.447   8.461
  250    H6     U  17           H6         U  17  -6.435   2.289   8.484
  251   1H5*    C  16          2H5*        C  16  -6.666   8.309   5.015
  252   2H5*    C  16          1H5*        C  16  -6.296   8.337   3.272
  253    H4*    C  16           H4*        C  16  -4.565   9.411   4.834
  254    H3*    C  16           H3*        C  16  -3.669   7.103   3.048
  255    H2*    C  16           H2*        C  16  -1.428   7.768   3.746
  256   2HO*    C  16          2HO*        C  16  -2.041  10.103   3.850
  257    H1*    C  16           H1*        C  16  -2.172   7.928   6.414
  258   1H4     C  16          1H4         C  16  -0.169   1.911   5.757
  259   2H4     C  16          2H4         C  16  -1.755   1.424   5.152
  260    H5     C  16           H5         C  16  -3.541   3.005   4.719
  261    H6     C  16           H6         C  16  -4.165   5.387   4.781
  262   1H5*    U  15          2H5*        U  15  -0.762  10.050   2.060
  263   2H5*    U  15          1H5*        U  15  -0.490   9.888   0.307
  264    H4*    U  15           H4*        U  15   1.536   9.486   1.807
  265    H3*    U  15           H3*        U  15   0.624   7.191   0.010
  266    H2*    U  15           H2*        U  15   2.766   6.198   0.633
  267   2HO*    U  15          2HO*        U  15   3.915   8.280   0.745
  268    H1*    U  15           H1*        U  15   2.369   6.768   3.320
  269    H3     U  15           H3         U  15   1.693   2.253   2.608
  270    H5     U  15           H5         U  15  -2.059   4.108   2.052
  271    H6     U  15           H6         U  15  -0.940   6.248   2.134
  272   1H5*    C  14          2H5*        C  14   4.906   7.615  -1.318
  273   2H5*    C  14          1H5*        C  14   4.652   7.865  -3.064
  274    H4*    C  14           H4*        C  14   6.300   6.077  -2.646
  275    H3*    C  14           H3*        C  14   3.631   5.041  -3.696
  276    H2*    C  14           H2*        C  14   4.793   2.925  -3.928
  277   2HO*    C  14          2HO*        C  14   6.858   3.962  -4.562
  278    H1*    C  14           H1*        C  14   6.005   3.135  -1.429
  279   1H4     C  14          1H4         C  14   0.629  -0.212  -0.512
  280   2H4     C  14          2H4         C  14  -0.212   1.281  -0.081
  281    H5     C  14           H5         C  14   0.808   3.472  -0.284
  282    H6     C  14           H6         C  14   2.852   4.675  -0.946
  283    H3T    C  14           H3T        C  14   4.947   4.950  -5.608
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1   5.519 -10.392   3.906
    2   2H5*    G   1          2H5*        G   1   4.326  -9.593   2.850
    3    H4*    G   1           H4*        G   1   6.768  -8.739   2.766
    4    H3*    G   1           H3*        G   1   6.540  -8.372   5.494
    5    H1*    G   1           H1*        G   1   6.326  -5.550   2.954
    6    H8     G   1           H8         G   1   2.588  -6.612   3.348
    7    H1     G   1           H1         G   1   3.641  -0.327   2.422
    8   1H2     G   1          1H2         G   1   5.787   0.097   2.432
    9   2H2     G   1          2H2         G   1   7.003  -1.162   2.668
   10   1H2*    G   1          1H2*        G   1   4.833  -6.728   5.361
   11   2H2*    G   1          2H2*        G   1   6.327  -5.654   5.251
   12   3H5*    G   1          3H5*        G   1   4.386  -9.190   4.577
   13   1H5*    A   2          2H5*        A   2   9.120  -4.523   3.818
   14   2H5*    A   2          1H5*        A   2  10.566  -4.728   4.839
   15    H4*    A   2           H4*        A   2  10.078  -2.387   4.804
   16    H3*    A   2           H3*        A   2  10.025  -3.678   7.267
   17    H1*    A   2           H1*        A   2   7.889  -0.888   6.202
   18    H8     A   2           H8         A   2   5.366  -3.879   6.448
   19   1H6     A   2          1H6         A   2   0.992   0.414   5.520
   20   2H6     A   2          2H6         A   2   1.305  -1.293   5.848
   21    H2     A   2           H2         A   2   5.009   2.411   5.258
   22   1H2*    A   2          1H2*        A   2   7.618  -3.765   7.291
   23   2H2*    A   2          2H2*        A   2   7.952  -2.189   8.186
   24   1H5*    G   3          2H5*        G   3  10.107   0.996   6.866
   25   2H5*    G   3          1H5*        G   3  11.338   1.565   8.021
   26    H4*    G   3           H4*        G   3   9.723   3.343   7.620
   27    H3*    G   3           H3*        G   3  10.255   2.466  10.215
   28    H1*    G   3           H1*        G   3   6.993   3.647   8.878
   29    H8     G   3           H8         G   3   6.506  -0.255   9.135
   30    H1     G   3           H1         G   3   1.154   3.288   8.610
   31   1H2     G   3          1H2         G   3   1.654   5.412   8.478
   32   2H2     G   3          2H2         G   3   3.319   6.001   8.517
   33   1H2*    G   3          1H2*        G   3   8.208   1.247  10.384
   34   2H2*    G   3          2H2*        G   3   7.680   2.902  10.999
   35   1H5*    A   4          2H5*        A   4   7.780   6.665   9.796
   36   2H5*    A   4          1H5*        A   4   8.567   7.726  10.991
   37    H4*    A   4           H4*        A   4   6.166   8.195  10.930
   38    H3*    A   4           H3*        A   4   7.466   7.515  13.329
   39    H1*    A   4           H1*        A   4   3.977   6.789  12.248
   40    H8     A   4           H8         A   4   5.707   3.265  12.407
   41   1H6     A   4          1H6         A   4  -0.024   1.013  11.687
   42   2H6     A   4          2H6         A   4   1.677   0.605  11.931
   43    H2     A   4           H2         A   4  -0.240   5.499  11.530
   44   1H2*    A   4          1H2*        A   4   6.458   5.360  13.392
   45   2H2*    A   4          2H2*        A   4   5.159   6.354  14.242
   46   1H5*    G   5          2H5*        G   5   3.269   9.655  13.321
   47   2H5*    G   5          1H5*        G   5   3.365  10.977  14.512
   48    H4*    G   5           H4*        G   5   1.071  10.235  14.409
   49    H3*    G   5           H3*        G   5   2.426  10.137  16.850
   50    H1*    G   5           H1*        G   5  -0.169   7.796  15.617
   51    H8     G   5           H8         G   5   3.125   5.643  15.476
   52    H1     G   5           H1         G   5  -2.425   2.455  14.762
   53   1H2     G   5          1H2         G   5  -4.114   3.843  14.804
   54   2H2     G   5          2H2         G   5  -3.907   5.585  15.009
   55   1H2*    G   5          1H2*        G   5   2.710   7.763  16.725
   56   2H2*    G   5          2H2*        G   5   1.099   7.886  17.610
   57   1H5*    G   6          2H5*        G   6  -2.406   9.849  16.626
   58   2H5*    G   6          1H5*        G   6  -2.856  10.984  17.924
   59    H4*    G   6           H4*        G   6  -4.642   9.347  17.583
   60    H3*    G   6           H3*        G   6  -3.507   9.773  20.103
   61    H1*    G   6           H1*        G   6  -4.677   6.444  18.687
   62    H8     G   6           H8         G   6  -0.737   6.415  18.709
   63    H1     G   6           H1         G   6  -3.655   0.728  17.924
   64   1H2     G   6          1H2         G   6  -5.828   0.979  17.920
   65   2H2     G   6          2H2         G   6  -6.603   2.555  18.111
   66   1H2*    G   6          1H2*        G   6  -2.322   7.737  20.171
   67   2H2*    G   6          2H2*        G   6  -3.963   7.141  20.764
   68   1H5*    A   7          2H5*        A   7  -7.717   7.512  20.091
   69   2H5*    A   7          1H5*        A   7  -8.642   7.766  21.593
   70    H4*    A   7           H4*        A   7  -8.469   5.348  20.816
   71    H3*    A   7           H3*        A   7  -7.673   6.273  23.535
   72    H1*    A   7           H1*        A   7  -6.997   3.328  21.135
   73    H8     A   7           H8         A   7  -3.728   5.249  22.068
   74   1H6     A   7          1H6         A   7  -0.866  -0.173  21.154
   75   2H6     A   7          2H6         A   7  -0.647   1.543  21.512
   76    H2     A   7           H2         A   7  -5.293  -0.829  20.754
   77   1H2*    A   7          1H2*        A   7  -6.117   4.624  23.749
   78   2H2*    A   7          2H2*        A   7  -7.427   3.389  23.355
   79   1H5*    A   8          2H5*        A   8 -10.175   2.586  22.887
   80   2H5*    A   8          1H5*        A   8 -11.490   2.387  24.073
   81    H4*    A   8           H4*        A   8 -10.485   0.216  23.589
   82    H3*    A   8           H3*        A   8 -10.663   1.173  26.220
   83    H1*    A   8           H1*        A   8  -7.972  -0.956  24.722
   84    H8     A   8           H8         A   8  -6.277   2.533  25.369
   85   1H6     A   8          1H6         A   8  -0.959  -0.456  24.267
   86   2H6     A   8          2H6         A   8  -1.692   1.090  24.705
   87    H2     A   8           H2         A   8  -4.346  -3.364  23.755
   88   1H2*    A   8          1H2*        A   8  -8.335   1.617  26.379
   89   2H2*    A   8          2H2*        A   8  -8.366  -0.153  26.891
   90   1H5*    G   9          2H5*        G   9  -9.543  -3.544  25.535
   91   2H5*    G   9          1H5*        G   9 -10.680  -4.310  26.673
   92    H4*    G   9           H4*        G   9  -8.696  -5.688  26.520
   93    H3*    G   9           H3*        G   9  -9.512  -4.681  29.003
   94    H1*    G   9           H1*        G   9  -5.981  -5.224  27.817
   95    H8     G   9           H8         G   9  -6.511  -1.320  27.887
   96    H1     G   9           H1         G   9  -0.437  -3.392  27.354
   97   1H2     G   9          1H2         G   9  -0.378  -5.577  27.297
   98   2H2     G   9          2H2         G   9  -1.836  -6.570  27.389
   99   1H2*    G   9          1H2*        G   9  -7.758  -3.097  29.155
  100   2H2*    G   9          2H2*        G   9  -6.907  -4.576  29.852
  101   1H5*    A  10          2H5*        A  10  -6.183  -8.162  28.901
  102   2H5*    A  10          1H5*        A  10  -6.682  -9.301  30.177
  103    H4*    A  10           H4*        A  10  -4.236  -9.229  30.011
  104    H3*    A  10           H3*        A  10  -5.591  -8.720  32.444
  105    H1*    A  10           H1*        A  10  -2.332  -7.306  31.148
  106    H8     A  10           H8         A  10  -4.901  -4.333  31.327
  107   1H6     A  10          1H6         A  10   0.049  -0.716  30.406
  108   2H6     A  10          2H6         A  10  -1.695  -0.748  30.684
  109    H2     A  10           H2         A  10   1.402  -5.001  30.353
  110   1H2*    A  10          1H2*        A  10  -4.940  -6.464  32.544
  111   2H2*    A  10          2H2*        A  10  -3.399  -7.224  33.213
  112   1H5*    G  11          2H5*        G  11  -1.011  -9.985  32.252
  113   2H5*    G  11          1H5*        G  11  -0.801 -11.179  33.558
  114    H4*    G  11           H4*        G  11   1.302  -9.999  33.152
  115    H3*    G  11           H3*        G  11   0.131 -10.090  35.708
  116    H1*    G  11           H1*        G  11   2.124  -7.276  34.159
  117    H8     G  11           H8         G  11  -1.627  -6.069  34.209
  118    H1     G  11           H1         G  11   2.860  -1.500  33.530
  119   1H2     G  11          1H2         G  11   4.860  -2.385  33.547
  120   2H2     G  11          2H2         G  11   5.129  -4.122  33.727
  121   1H2*    G  11          1H2*        G  11  -0.444  -7.807  35.762
  122   2H2*    G  11          2H2*        G  11   1.316  -7.673  36.294
  123   1H5*    A  12          2H5*        A  12   4.728  -8.555  35.478
  124   2H5*    A  12          1H5*        A  12   5.536  -9.450  36.790
  125    H4*    A  12           H4*        A  12   6.441  -7.175  36.639
  126    H3*    A  12           H3*        A  12   5.364  -8.200  39.043
  127    H1*    A  12           H1*        A  12   5.427  -4.691  37.719
  128    H8     A  12           H8         A  12   1.645  -5.686  37.988
  129   1H6     A  12          1H6         A  12   0.521   0.218  36.469
  130   2H6     A  12          2H6         A  12  -0.202  -1.325  36.935
  131    H2     A  12           H2         A  12   4.963  -0.449  36.349
  132   1H2*    A  12          1H2*        A  12   3.508  -6.736  38.992
  133   2H2*    A  12          2H2*        A  12   4.749  -5.615  39.766
  134   1H5*    A  13          2H5*        A  13   8.581  -4.752  38.789
  135   2H5*    A  13          1H5*        A  13   9.696  -4.992  40.159
  136    H4*    A  13           H4*        A  13   9.642  -2.630  39.454
  137    H3*    A  13           H3*        A  13   9.326  -3.411  42.107
  138    H1*    A  13           H1*        A  13   7.471  -0.585  40.402
  139    H8     A  13           H8         A  13   4.909  -3.531  40.886
  140   1H6     A  13          1H6         A  13   0.604   0.714  39.520
  141   2H6     A  13          2H6         A  13   0.892  -0.971  39.966
  142    H2     A  13           H2         A  13   4.641   2.674  39.294
  143    H3T    A  13           H3T        A  13   9.810  -1.173  42.495
  144   1H2*    A  13          1H2*        A  13   6.984  -3.059  42.156
  145   2H2*    A  13          2H2*        A  13   7.566  -1.362  42.577
  146   1H5*    U  26          1H5*        U  26  -1.494  10.452  37.764
  147   2H5*    U  26          2H5*        U  26  -2.101   9.514  39.152
  148    H4*    U  26           H4*        U  26   0.405  10.162  39.143
  149    H3*    U  26           H3*        U  26   0.392   7.944  37.067
  150    H2*    U  26           H2*        U  26   2.502   7.233  38.000
  151   2HO*    U  26          2HO*        U  26   3.311   9.393  38.457
  152    H1*    U  26           H1*        U  26   1.668   7.434  40.630
  153    H3     U  26           H3         U  26   1.818   2.980  39.379
  154    H5     U  26           H5         U  26  -2.102   4.318  38.559
  155    H6     U  26           H6         U  26  -1.352   6.574  38.991
  156   3H5*    U  26          3H5*        U  26  -1.758   8.695  37.617
  157   1H5*    U  25          2H5*        U  25   4.419   9.417  36.573
  158   2H5*    U  25          1H5*        U  25   4.756   9.425  34.823
  159    H4*    U  25           H4*        U  25   6.236   7.899  36.233
  160    H3*    U  25           H3*        U  25   4.536   6.639  34.040
  161    H2*    U  25           H2*        U  25   5.755   4.614  34.510
  162   2HO*    U  25          2HO*        U  25   7.691   4.695  35.573
  163    H1*    U  25           H1*        U  25   5.647   4.955  37.287
  164    H3     U  25           H3         U  25   2.969   1.369  36.279
  165    H5     U  25           H5         U  25   0.566   4.779  35.633
  166    H6     U  25           H6         U  25   2.537   6.144  35.932
  167   1H5*    C  24          2H5*        C  24   8.636   5.445  33.503
  168   2H5*    C  24          1H5*        C  24   9.013   5.252  31.772
  169    H4*    C  24           H4*        C  24   9.356   3.173  33.179
  170    H3*    C  24           H3*        C  24   7.257   3.030  30.974
  171    H2*    C  24           H2*        C  24   7.178   0.670  31.464
  172   2HO*    C  24          2HO*        C  24   8.815  -0.302  32.610
  173    H1*    C  24           H1*        C  24   7.255   1.054  34.238
  174   1H4     C  24          1H4         C  24   1.055   0.385  32.913
  175   2H4     C  24          2H4         C  24   0.948   2.083  32.437
  176    H5     C  24           H5         C  24   2.882   3.540  32.315
  177    H6     C  24           H6         C  24   5.322   3.658  32.627
  178   1H5*    U  23          2H5*        U  23   9.992  -0.239  30.503
  179   2H5*    U  23          1H5*        U  23  10.265  -0.573  28.774
  180    H4*    U  23           H4*        U  23   9.385  -2.536  30.103
  181    H3*    U  23           H3*        U  23   7.604  -1.461  27.875
  182    H2*    U  23           H2*        U  23   6.226  -3.385  28.289
  183   2HO*    U  23          2HO*        U  23   7.084  -5.169  29.243
  184    H1*    U  23           H1*        U  23   6.495  -3.235  31.085
  185    H3     U  23           H3         U  23   2.097  -2.312  30.307
  186    H5     U  23           H5         U  23   4.129   1.260  29.341
  187    H6     U  23           H6         U  23   6.214   0.069  29.607
  188   1H5*    C  22          2H5*        C  22   8.289  -5.741  27.291
  189   2H5*    C  22          1H5*        C  22   8.232  -6.133  25.554
  190    H4*    C  22           H4*        C  22   6.529  -7.341  27.006
  191    H3*    C  22           H3*        C  22   5.474  -5.514  24.805
  192    H2*    C  22           H2*        C  22   3.312  -6.452  25.325
  193   2HO*    C  22          2HO*        C  22   3.143  -8.302  26.590
  194    H1*    C  22           H1*        C  22   3.723  -6.332  28.093
  195   1H4     C  22          1H4         C  22   0.488  -0.999  26.790
  196   2H4     C  22          2H4         C  22   1.964  -0.203  26.232
  197    H5     C  22           H5         C  22   4.091  -1.353  26.050
  198    H6     C  22           H6         C  22   5.234  -3.512  26.369
  199   1H5*    U  21          2H5*        U  21   3.583  -9.290  24.442
  200   2H5*    U  21          1H5*        U  21   3.456  -9.753  22.726
  201    H4*    U  21           H4*        U  21   1.254  -9.728  23.938
  202    H3*    U  21           H3*        U  21   1.587  -7.674  21.712
  203    H2*    U  21           H2*        U  21  -0.746  -7.206  22.030
  204   2HO*    U  21          2HO*        U  21  -2.058  -8.722  22.929
  205    H1*    U  21           H1*        U  21  -0.617  -7.385  24.835
  206    H3     U  21           H3         U  21  -1.568  -3.002  24.001
  207    H5     U  21           H5         U  21   2.565  -3.371  23.223
  208    H6     U  21           H6         U  21   2.334  -5.761  23.483
  209   1H5*    U  20          2H5*        U  20  -1.911 -10.076  20.996
  210   2H5*    U  20          1H5*        U  20  -2.242 -10.260  19.255
  211    H4*    U  20           H4*        U  20  -4.099  -9.162  20.598
  212    H3*    U  20           H3*        U  20  -2.795  -7.520  18.386
  213    H2*    U  20           H2*        U  20  -4.528  -5.909  18.801
  214   2HO*    U  20          2HO*        U  20  -6.407  -6.527  19.771
  215    H1*    U  20           H1*        U  20  -4.426  -6.207  21.596
  216    H3     U  20           H3         U  20  -2.917  -1.969  20.902
  217    H5     U  20           H5         U  20   0.332  -4.437  19.818
  218    H6     U  20           H6         U  20  -1.123  -6.350  20.069
  219   1H5*    C  19          2H5*        C  19  -7.080  -7.603  17.757
  220   2H5*    C  19          1H5*        C  19  -7.453  -7.522  16.016
  221    H4*    C  19           H4*        C  19  -8.411  -5.632  17.413
  222    H3*    C  19           H3*        C  19  -6.411  -4.901  15.234
  223    H2*    C  19           H2*        C  19  -6.987  -2.616  15.714
  224   2HO*    C  19          2HO*        C  19  -8.859  -2.125  16.806
  225    H1*    C  19           H1*        C  19  -7.038  -3.001  18.493
  226   1H4     C  19          1H4         C  19  -1.253  -0.574  17.389
  227   2H4     C  19          2H4         C  19  -0.662  -2.146  16.840
  228    H5     C  19           H5         C  19  -2.100  -4.083  16.603
  229    H6     C  19           H6         C  19  -4.409  -4.904  16.848
  230   1H5*    C  18          2H5*        C  18  -9.983  -2.543  14.755
  231   2H5*    C  18          1H5*        C  18 -10.321  -2.286  13.024
  232    H4*    C  18           H4*        C  18 -10.072  -0.161  14.359
  233    H3*    C  18           H3*        C  18  -7.984  -0.661  12.195
  234    H2*    C  18           H2*        C  18  -7.262   1.598  12.637
  235   2HO*    C  18          2HO*        C  18  -8.603   3.018  13.670
  236    H1*    C  18           H1*        C  18  -7.480   1.322  15.417
  237   1H4     C  18          1H4         C  18  -1.318   0.208  14.235
  238   2H4     C  18          2H4         C  18  -1.681  -1.451  13.747
  239    H5     C  18           H5         C  18  -3.943  -2.307  13.575
  240    H6     C  18           H6         C  18  -6.325  -1.739  13.840
  241   1H5*    U  17          2H5*        U  17  -9.750   3.169  11.562
  242   2H5*    U  17          1H5*        U  17  -9.884   3.536   9.823
  243    H4*    U  17           H4*        U  17  -8.535   5.213  11.147
  244    H3*    U  17           H3*        U  17  -7.043   3.646   8.999
  245    H2*    U  17           H2*        U  17  -5.223   5.159   9.432
  246   2HO*    U  17          2HO*        U  17  -5.666   7.141  10.229
  247    H1*    U  17           H1*        U  17  -5.599   5.132  12.218
  248    H3     U  17           H3         U  17  -1.579   3.074  11.538
  249    H5     U  17           H5         U  17  -4.469   0.128  10.645
  250    H6     U  17           H6         U  17  -6.170   1.834  10.833
  251   1H5*    C  16          2H5*        C  16  -6.615   7.956   8.215
  252   2H5*    C  16          1H5*        C  16  -6.366   8.221   6.470
  253    H4*    C  16           H4*        C  16  -4.492   9.038   7.983
  254    H3*    C  16           H3*        C  16  -3.805   6.872   5.946
  255    H2*    C  16           H2*        C  16  -1.504   7.345   6.570
  256   2HO*    C  16          2HO*        C  16  -1.763   9.650   6.880
  257    H1*    C  16           H1*        C  16  -2.089   7.364   9.293
  258   1H4     C  16          1H4         C  16  -0.325   1.344   8.160
  259   2H4     C  16          2H4         C  16  -1.947   0.949   7.583
  260    H5     C  16           H5         C  16  -3.693   2.612   7.326
  261    H6     C  16           H6         C  16  -4.234   5.002   7.573
  262   1H5*    U  15          2H5*        U  15  -0.997  10.192   4.918
  263   2H5*    U  15          1H5*        U  15  -0.790  10.069   3.152
  264    H4*    U  15           H4*        U  15   1.322   9.808   4.582
  265    H3*    U  15           H3*        U  15   0.529   7.512   2.733
  266    H2*    U  15           H2*        U  15   2.734   6.637   3.264
  267   2HO*    U  15          2HO*        U  15   3.863   8.670   3.374
  268    H1*    U  15           H1*        U  15   2.440   7.163   5.985
  269    H3     U  15           H3         U  15   2.139   2.611   5.428
  270    H5     U  15           H5         U  15  -1.752   4.098   4.745
  271    H6     U  15           H6         U  15  -0.836   6.333   4.791
  272   1H5*    C  14          2H5*        C  14   4.560   8.617   1.269
  273   2H5*    C  14          1H5*        C  14   4.484   8.445  -0.503
  274    H4*    C  14           H4*        C  14   6.251   7.031   0.643
  275    H3*    C  14           H3*        C  14   4.044   5.550  -0.855
  276    H2*    C  14           H2*        C  14   5.415   3.588  -0.497
  277   2HO*    C  14          2HO*        C  14   7.492   4.588  -0.782
  278    H1*    C  14           H1*        C  14   5.979   4.265   2.157
  279   1H4     C  14          1H4         C  14   1.005   0.274   2.481
  280   2H4     C  14          2H4         C  14  -0.109   1.632   2.289
  281    H5     C  14           H5         C  14   0.638   3.892   1.829
  282    H6     C  14           H6         C  14   2.618   5.310   1.459
  283    H3T    C  14           H3T        C  14   5.801   5.408  -2.367
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1   4.499  -9.941   1.656
    2   2H5*    G   1          2H5*        G   1   3.024  -9.385   0.826
    3    H4*    G   1           H4*        G   1   5.303  -8.607  -0.123
    4    H3*    G   1           H3*        G   1   5.779  -7.613   2.426
    5    H1*    G   1           H1*        G   1   4.859  -5.521  -0.596
    6    H8     G   1           H8         G   1   1.265  -6.378   0.272
    7    H1     G   1           H1         G   1   2.319  -0.063  -0.422
    8   1H2     G   1          1H2         G   1   4.465   0.348  -0.514
    9   2H2     G   1          2H2         G   1   5.682  -0.928  -0.406
   10   1H2*    G   1          1H2*        G   1   4.084  -5.960   2.342
   11   2H2*    G   1          2H2*        G   1   5.474  -5.026   1.571
   12   3H5*    G   1          3H5*        G   1   3.536  -8.603   2.334
   13   1H5*    A   2          2H5*        A   2   7.960  -3.936   0.090
   14   2H5*    A   2          1H5*        A   2   9.561  -4.226   0.817
   15    H4*    A   2           H4*        A   2   9.163  -1.931   1.178
   16    H3*    A   2           H3*        A   2   9.258  -3.490   3.478
   17    H1*    A   2           H1*        A   2   7.159  -0.541   2.911
   18    H8     A   2           H8         A   2   4.536  -3.436   3.144
   19   1H6     A   2          1H6         A   2   0.289   1.070   2.845
   20   2H6     A   2          2H6         A   2   0.555  -0.665   3.047
   21    H2     A   2           H2         A   2   4.352   2.925   2.352
   22   1H2*    A   2          1H2*        A   2   6.853  -3.520   3.669
   23   2H2*    A   2          2H2*        A   2   7.307  -2.077   4.722
   24   1H5*    G   3          2H5*        G   3   9.530   1.135   3.475
   25   2H5*    G   3          1H5*        G   3  10.833   1.598   4.598
   26    H4*    G   3           H4*        G   3   9.257   3.449   4.319
   27    H3*    G   3           H3*        G   3   9.964   2.529   6.840
   28    H1*    G   3           H1*        G   3   6.617   3.758   5.836
   29    H8     G   3           H8         G   3   6.115  -0.148   5.977
   30    H1     G   3           H1         G   3   0.770   3.445   5.982
   31   1H2     G   3          1H2         G   3   1.279   5.570   5.885
   32   2H2     G   3          2H2         G   3   2.948   6.145   5.817
   33   1H2*    G   3          1H2*        G   3   7.934   1.278   7.112
   34   2H2*    G   3          2H2*        G   3   7.469   2.900   7.854
   35   1H5*    A   4          2H5*        A   4   7.345   6.634   6.567
   36   2H5*    A   4          1H5*        A   4   8.394   7.706   7.529
   37    H4*    A   4           H4*        A   4   6.151   8.509   7.795
   38    H3*    A   4           H3*        A   4   7.510   7.749  10.072
   39    H1*    A   4           H1*        A   4   3.918   7.185   9.491
   40    H8     A   4           H8         A   4   5.452   3.588   9.173
   41   1H6     A   4          1H6         A   4  -0.438   1.657   9.078
   42   2H6     A   4          2H6         A   4   1.256   1.155   9.074
   43    H2     A   4           H2         A   4  -0.427   6.148   9.211
   44   1H2*    A   4          1H2*        A   4   6.474   5.565  10.093
   45   2H2*    A   4          2H2*        A   4   5.384   6.531  11.222
   46   1H5*    G   5          2H5*        G   5   3.263   9.920  10.669
   47   2H5*    G   5          1H5*        G   5   3.617  11.187  11.871
   48    H4*    G   5           H4*        G   5   1.324  10.516  12.174
   49    H3*    G   5           H3*        G   5   3.079  10.273  14.315
   50    H1*    G   5           H1*        G   5   0.284   8.001  13.496
   51    H8     G   5           H8         G   5   3.452   5.853  12.581
   52    H1     G   5           H1         G   5  -2.180   2.736  12.744
   53   1H2     G   5          1H2         G   5  -3.809   4.125  13.190
   54   2H2     G   5          2H2         G   5  -3.541   5.850  13.457
   55   1H2*    G   5          1H2*        G   5   3.332   7.906  13.968
   56   2H2*    G   5          2H2*        G   5   1.945   7.963  15.180
   57   1H5*    G   6          2H5*        G   6  -1.769   9.987  15.016
   58   2H5*    G   6          1H5*        G   6  -1.848  11.131  16.379
   59    H4*    G   6           H4*        G   6  -3.774   9.648  16.460
   60    H3*    G   6           H3*        G   6  -2.118   9.926  18.661
   61    H1*    G   6           H1*        G   6  -3.577   6.576  17.502
   62    H8     G   6           H8         G   6   0.264   6.725  16.656
   63    H1     G   6           H1         G   6  -2.621   1.017  15.904
   64   1H2     G   6          1H2         G   6  -4.757   1.177  16.345
   65   2H2     G   6          2H2         G   6  -5.515   2.695  16.835
   66   1H2*    G   6          1H2*        G   6  -0.958   7.891  18.381
   67   2H2*    G   6          2H2*        G   6  -2.411   7.278  19.334
   68   1H5*    A   7          2H5*        A   7  -6.157   7.622  19.567
   69   2H5*    A   7          1H5*        A   7  -6.709   7.868  21.243
   70    H4*    A   7           H4*        A   7  -6.798   5.478  20.532
   71    H3*    A   7           H3*        A   7  -4.938   6.271  22.763
   72    H1*    A   7           H1*        A   7  -5.391   3.397  20.203
   73    H8     A   7           H8         A   7  -1.924   5.188  20.400
   74   1H6     A   7          1H6         A   7   0.413  -0.189  18.387
   75   2H6     A   7          2H6         A   7   0.778   1.488  18.803
   76    H2     A   7           H2         A   7  -3.992  -0.736  19.083
   77   1H2*    A   7          1H2*        A   7  -3.797   4.306  22.599
   78   2H2*    A   7          2H2*        A   7  -5.375   3.370  22.426
   79   1H5*    A   8          2H5*        A   8  -8.149   3.109  23.107
   80   2H5*    A   8          1H5*        A   8  -9.021   3.297  24.650
   81    H4*    A   8           H4*        A   8  -8.970   0.943  24.049
   82    H3*    A   8           H3*        A   8  -8.064   1.760  26.523
   83    H1*    A   8           H1*        A   8  -6.247  -0.868  24.390
   84    H8     A   8           H8         A   8  -4.188   2.465  24.461
   85   1H6     A   8          1H6         A   8   0.134  -0.744  21.386
   86   2H6     A   8          2H6         A   8  -0.264   0.803  22.140
   87    H2     A   8           H2         A   8  -3.458  -3.386  21.942
   88   1H2*    A   8          1H2*        A   8  -5.767   1.717  25.956
   89   2H2*    A   8          2H2*        A   8  -5.990  -0.030  26.500
   90   1H5*    G   9          2H5*        G   9  -8.184  -3.179  25.771
   91   2H5*    G   9          1H5*        G   9  -9.442  -3.361  27.020
   92    H4*    G   9           H4*        G   9  -8.243  -5.449  26.876
   93    H3*    G   9           H3*        G   9  -8.389  -4.184  29.303
   94    H1*    G   9           H1*        G   9  -4.838  -5.352  27.918
   95    H8     G   9           H8         G   9  -5.537  -1.574  28.367
   96    H1     G   9           H1         G   9  -0.287  -2.992  24.917
   97   1H2     G   9          1H2         G   9  -0.199  -5.139  24.509
   98   2H2     G   9          2H2         G   9  -1.433  -6.266  25.080
   99   1H2*    G   9          1H2*        G   9  -6.298  -3.182  29.396
  100   2H2*    G   9          2H2*        G   9  -5.746  -4.874  29.875
  101   1H5*    A  10          2H5*        A  10  -6.378  -8.361  29.189
  102   2H5*    A  10          1H5*        A  10  -6.782  -9.406  30.575
  103    H4*    A  10           H4*        A  10  -4.398  -9.632  30.053
  104    H3*    A  10           H3*        A  10  -5.269  -8.925  32.621
  105    H1*    A  10           H1*        A  10  -2.168  -7.734  30.808
  106    H8     A  10           H8         A  10  -4.138  -4.592  31.832
  107   1H6     A  10          1H6         A  10  -0.088  -1.399  28.392
  108   2H6     A  10          2H6         A  10  -1.420  -1.286  29.546
  109    H2     A  10           H2         A  10   0.619  -5.783  27.700
  110   1H2*    A  10          1H2*        A  10  -4.592  -6.668  32.374
  111   2H2*    A  10          2H2*        A  10  -3.008  -7.407  32.958
  112   1H5*    G  11          2H5*        G  11  -0.489 -10.919  32.399
  113   2H5*    G  11          1H5*        G  11  -0.701 -11.823  33.920
  114    H4*    G  11           H4*        G  11   1.651 -11.095  33.545
  115    H3*    G  11           H3*        G  11   0.394 -10.916  35.966
  116    H1*    G  11           H1*        G  11   2.395  -7.959  34.552
  117    H8     G  11           H8         G  11  -1.459  -7.278  34.333
  118    H1     G  11           H1         G  11   2.385  -2.507  32.348
  119   1H2     G  11          1H2         G  11   4.478  -3.142  32.397
  120   2H2     G  11          2H2         G  11   4.969  -4.756  32.921
  121   1H2*    G  11          1H2*        G  11  -0.328  -8.668  35.743
  122   2H2*    G  11          2H2*        G  11   1.328  -8.400  36.508
  123   1H5*    A  12          2H5*        A  12   4.791  -9.027  35.912
  124   2H5*    A  12          1H5*        A  12   5.608  -9.742  37.326
  125    H4*    A  12           H4*        A  12   6.384  -7.463  37.063
  126    H3*    A  12           H3*        A  12   5.172  -8.262  39.463
  127    H1*    A  12           H1*        A  12   5.088  -4.940  37.814
  128    H8     A  12           H8         A  12   1.375  -5.883  38.238
  129   1H6     A  12          1H6         A  12   0.114  -0.785  34.944
  130   2H6     A  12          2H6         A  12  -0.570  -2.096  35.910
  131    H2     A  12           H2         A  12   4.557  -1.452  34.868
  132   1H2*    A  12          1H2*        A  12   3.166  -7.064  38.964
  133   2H2*    A  12          2H2*        A  12   4.143  -5.759  39.825
  134   1H5*    A  13          2H5*        A  13   8.334  -4.600  39.167
  135   2H5*    A  13          1H5*        A  13   9.201  -4.798  40.712
  136    H4*    A  13           H4*        A  13   9.414  -2.495  39.873
  137    H3*    A  13           H3*        A  13   8.705  -3.027  42.468
  138    H1*    A  13           H1*        A  13   6.791  -0.408  40.351
  139    H8     A  13           H8         A  13   4.811  -3.793  40.642
  140   1H6     A  13          1H6         A  13   0.064  -0.593  38.264
  141   2H6     A  13          2H6         A  13   0.592  -2.157  38.892
  142    H2     A  13           H2         A  13   3.626   2.136  38.505
  143    H3T    A  13           H3T        A  13   9.031  -0.747  42.759
  144   1H2*    A  13          1H2*        A  13   6.374  -2.794  42.200
  145   2H2*    A  13          2H2*        A  13   6.812  -1.033  42.520
  146   1H5*    U  26          1H5*        U  26  -3.498   8.690  36.008
  147   2H5*    U  26          2H5*        U  26  -4.162   7.636  37.283
  148    H4*    U  26           H4*        U  26  -1.805   8.638  37.658
  149    H3*    U  26           H3*        U  26  -1.175   6.482  35.611
  150    H2*    U  26           H2*        U  26   0.861   6.104  36.849
  151   2HO*    U  26          2HO*        U  26   1.179   8.413  37.353
  152    H1*    U  26           H1*        U  26  -0.375   6.196  39.334
  153    H3     U  26           H3         U  26   0.807   1.845  38.226
  154    H5     U  26           H5         U  26  -3.174   2.392  36.934
  155    H6     U  26           H6         U  26  -2.925   4.753  37.379
  156   3H5*    U  26          3H5*        U  26  -3.476   6.918  35.813
  157   1H5*    U  25          2H5*        U  25   2.594   8.446  35.589
  158   2H5*    U  25          1H5*        U  25   3.145   8.468  33.894
  159    H4*    U  25           H4*        U  25   4.598   7.134  35.490
  160    H3*    U  25           H3*        U  25   3.267   5.585  33.220
  161    H2*    U  25           H2*        U  25   4.793   3.798  33.904
  162   2HO*    U  25          2HO*        U  25   6.584   5.147  34.550
  163    H1*    U  25           H1*        U  25   4.118   4.101  36.570
  164    H3     U  25           H3         U  25   1.920   0.356  35.097
  165    H5     U  25           H5         U  25  -0.582   3.596  34.067
  166    H6     U  25           H6         U  25   1.202   5.093  34.710
  167   1H5*    C  24          2H5*        C  24   7.657   5.080  32.478
  168   2H5*    C  24          1H5*        C  24   7.797   4.724  30.738
  169    H4*    C  24           H4*        C  24   8.544   2.929  32.500
  170    H3*    C  24           H3*        C  24   6.652   2.196  30.214
  171    H2*    C  24           H2*        C  24   7.137  -0.093  30.935
  172   2HO*    C  24          2HO*        C  24   9.399   0.534  31.594
  173    H1*    C  24           H1*        C  24   6.694   0.545  33.599
  174   1H4     C  24          1H4         C  24   1.044  -1.342  31.229
  175   2H4     C  24          2H4         C  24   0.583   0.355  31.064
  176    H5     C  24           H5         C  24   2.128   2.183  31.451
  177    H6     C  24           H6         C  24   4.441   2.749  32.079
  178   1H5*    U  23          2H5*        U  23   9.520  -0.881  29.951
  179   2H5*    U  23          1H5*        U  23   9.790  -1.165  28.213
  180    H4*    U  23           H4*        U  23   8.862  -3.119  29.604
  181    H3*    U  23           H3*        U  23   7.290  -2.150  27.173
  182    H2*    U  23           H2*        U  23   5.978  -4.170  27.512
  183   2HO*    U  23          2HO*        U  23   7.792  -5.502  28.231
  184    H1*    U  23           H1*        U  23   5.783  -3.747  30.257
  185    H3     U  23           H3         U  23   1.634  -2.775  28.609
  186    H5     U  23           H5         U  23   3.926   0.697  27.896
  187    H6     U  23           H6         U  23   5.885  -0.531  28.597
  188   1H5*    C  22          2H5*        C  22   8.231  -6.168  26.031
  189   2H5*    C  22          1H5*        C  22   8.515  -6.225  24.272
  190    H4*    C  22           H4*        C  22   6.510  -7.567  25.198
  191    H3*    C  22           H3*        C  22   6.071  -5.486  23.015
  192    H2*    C  22           H2*        C  22   3.824  -6.314  22.932
  193   2HO*    C  22          2HO*        C  22   3.419  -8.377  23.534
  194    H1*    C  22           H1*        C  22   3.599  -6.661  25.722
  195   1H4     C  22          1H4         C  22   0.579  -1.222  24.131
  196   2H4     C  22          2H4         C  22   1.990  -0.328  24.705
  197    H5     C  22           H5         C  22   4.056  -1.412  25.366
  198    H6     C  22           H6         C  22   5.187  -3.586  25.609
  199   1H5*    U  21          2H5*        U  21   4.429  -9.473  21.725
  200   2H5*    U  21          1H5*        U  21   4.346  -9.490  19.945
  201    H4*    U  21           H4*        U  21   2.132  -9.690  21.306
  202    H3*    U  21           H3*        U  21   2.474  -7.627  19.094
  203    H2*    U  21           H2*        U  21   0.149  -7.115  19.422
  204   2HO*    U  21          2HO*        U  21  -1.115  -8.745  20.105
  205    H1*    U  21           H1*        U  21   0.273  -7.226  22.215
  206    H3     U  21           H3         U  21  -0.341  -2.791  21.539
  207    H5     U  21           H5         U  21   3.634  -3.466  20.287
  208    H6     U  21           H6         U  21   3.260  -5.833  20.596
  209   1H5*    U  20          2H5*        U  20  -1.247 -10.069  18.227
  210   2H5*    U  20          1H5*        U  20  -1.561  -9.924  16.479
  211    H4*    U  20           H4*        U  20  -3.328  -8.968  18.119
  212    H3*    U  20           H3*        U  20  -2.137  -7.206  15.935
  213    H2*    U  20           H2*        U  20  -3.824  -5.598  16.591
  214   2HO*    U  20          2HO*        U  20  -5.627  -6.336  17.564
  215    H1*    U  20           H1*        U  20  -3.376  -5.968  19.315
  216    H3     U  20           H3         U  20  -1.570  -1.870  18.539
  217    H5     U  20           H5         U  20   1.271  -4.575  16.977
  218    H6     U  20           H6         U  20  -0.307  -6.361  17.376
  219   1H5*    C  19          2H5*        C  19  -6.605  -7.298  15.701
  220   2H5*    C  19          1H5*        C  19  -7.091  -6.885  14.037
  221    H4*    C  19           H4*        C  19  -7.931  -5.357  15.935
  222    H3*    C  19           H3*        C  19  -6.339  -4.152  13.629
  223    H2*    C  19           H2*        C  19  -6.992  -2.017  14.580
  224   2HO*    C  19          2HO*        C  19  -9.140  -2.722  15.264
  225    H1*    C  19           H1*        C  19  -6.399  -2.812  17.182
  226   1H4     C  19          1H4         C  19  -0.992  -0.060  15.250
  227   2H4     C  19          2H4         C  19  -0.547  -1.496  14.322
  228    H5     C  19           H5         C  19  -2.009  -3.416  14.087
  229    H6     C  19           H6         C  19  -4.205  -4.348  14.701
  230   1H5*    C  18          2H5*        C  18 -10.175  -1.840  13.516
  231   2H5*    C  18          1H5*        C  18 -10.404  -1.494  11.783
  232    H4*    C  18           H4*        C  18 -10.181   0.528  13.348
  233    H3*    C  18           H3*        C  18  -8.196   0.226  11.051
  234    H2*    C  18           H2*        C  18  -7.530   2.491  11.634
  235   2HO*    C  18          2HO*        C  18  -9.763   3.138  12.234
  236    H1*    C  18           H1*        C  18  -7.462   1.925  14.356
  237   1H4     C  18          1H4         C  18  -1.505   0.860  12.315
  238   2H4     C  18          2H4         C  18  -1.925  -0.814  11.939
  239    H5     C  18           H5         C  18  -4.187  -1.673  12.104
  240    H6     C  18           H6         C  18  -6.513  -1.091  12.666
  241   1H5*    U  17          2H5*        U  17  -9.839   4.193  10.329
  242   2H5*    U  17          1H5*        U  17  -9.985   4.326   8.558
  243    H4*    U  17           H4*        U  17  -8.457   6.030   9.716
  244    H3*    U  17           H3*        U  17  -7.277   4.225   7.561
  245    H2*    U  17           H2*        U  17  -5.325   5.633   7.733
  246   2HO*    U  17          2HO*        U  17  -5.788   7.707   8.207
  247    H1*    U  17           H1*        U  17  -5.431   5.752  10.531
  248    H3     U  17           H3         U  17  -1.714   3.316   9.332
  249    H5     U  17           H5         U  17  -4.918   0.568   9.386
  250    H6     U  17           H6         U  17  -6.429   2.435   9.643
  251   1H5*    C  16          2H5*        C  16  -6.914   8.514   6.353
  252   2H5*    C  16          1H5*        C  16  -6.807   8.631   4.578
  253    H4*    C  16           H4*        C  16  -4.830   9.568   5.931
  254    H3*    C  16           H3*        C  16  -4.298   7.378   3.873
  255    H2*    C  16           H2*        C  16  -1.956   7.913   4.265
  256   2HO*    C  16          2HO*        C  16  -2.326  10.233   4.588
  257    H1*    C  16           H1*        C  16  -2.273   7.927   7.024
  258   1H4     C  16          1H4         C  16  -0.588   1.927   5.639
  259   2H4     C  16          2H4         C  16  -2.282   1.500   5.375
  260    H5     C  16           H5         C  16  -4.073   3.135   5.411
  261    H6     C  16           H6         C  16  -4.598   5.522   5.710
  262   1H5*    U  15          2H5*        U  15  -1.615  10.628   2.526
  263   2H5*    U  15          1H5*        U  15  -1.549  10.442   0.755
  264    H4*    U  15           H4*        U  15   0.654  10.163   2.071
  265    H3*    U  15           H3*        U  15  -0.298   7.893   0.264
  266    H2*    U  15           H2*        U  15   1.939   6.994   0.645
  267   2HO*    U  15          2HO*        U  15   3.002   9.114   0.742
  268    H1*    U  15           H1*        U  15   1.774   7.432   3.381
  269    H3     U  15           H3         U  15   1.254   2.919   2.599
  270    H5     U  15           H5         U  15  -2.614   4.592   2.348
  271    H6     U  15           H6         U  15  -1.600   6.784   2.421
  272   1H5*    C  14          2H5*        C  14   3.828   8.858  -1.376
  273   2H5*    C  14          1H5*        C  14   3.507   8.867  -3.129
  274    H4*    C  14           H4*        C  14   5.385   7.347  -2.464
  275    H3*    C  14           H3*        C  14   2.907   5.957  -3.574
  276    H2*    C  14           H2*        C  14   4.317   3.981  -3.620
  277   2HO*    C  14          2HO*        C  14   6.282   5.227  -4.204
  278    H1*    C  14           H1*        C  14   5.341   4.474  -1.076
  279   1H4     C  14          1H4         C  14   0.360   0.585  -0.148
  280   2H4     C  14          2H4         C  14  -0.712   1.983  -0.008
  281    H5     C  14           H5         C  14   0.029   4.255  -0.415
  282    H6     C  14           H6         C  14   1.961   5.649  -1.042
  283    H3T    C  14           H3T        C  14   4.324   5.906  -5.413
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1   3.885 -10.198   1.198
    2   2H5*    G   1          2H5*        G   1   3.000  -9.281  -0.048
    3    H4*    G   1           H4*        G   1   5.442  -8.581   0.452
    4    H3*    G   1           H3*        G   1   4.662  -8.324   3.079
    5    H1*    G   1           H1*        G   1   5.089  -5.361   0.744
    6    H8     G   1           H8         G   1   1.492  -6.293  -0.254
    7    H1     G   1           H1         G   1   2.463  -0.008   0.759
    8   1H2     G   1          1H2         G   1   4.440   0.328   1.632
    9   2H2     G   1          2H2         G   1   5.560  -0.991   1.983
   10   1H2*    G   1          1H2*        G   1   3.053  -6.618   2.664
   11   2H2*    G   1          2H2*        G   1   4.556  -5.597   2.969
   12   3H5*    G   1          3H5*        G   1   2.697  -8.956   1.669
   13   1H5*    A   2          2H5*        A   2   7.282  -4.391   1.904
   14   2H5*    A   2          1H5*        A   2   8.749  -4.999   2.712
   15    H4*    A   2           H4*        A   2   8.788  -2.611   2.914
   16    H3*    A   2           H3*        A   2   8.782  -4.097   5.245
   17    H1*    A   2           H1*        A   2   6.948  -0.883   4.772
   18    H8     A   2           H8         A   2   4.176  -3.641   4.995
   19   1H6     A   2          1H6         A   2   0.179   1.097   4.917
   20   2H6     A   2          2H6         A   2   0.352  -0.655   5.062
   21    H2     A   2           H2         A   2   4.328   2.742   4.396
   22   1H2*    A   2          1H2*        A   2   6.430  -3.802   5.609
   23   2H2*    A   2          2H2*        A   2   7.128  -2.384   6.556
   24   1H5*    G   3          2H5*        G   3   9.718   0.435   5.170
   25   2H5*    G   3          1H5*        G   3  11.051   0.829   6.286
   26    H4*    G   3           H4*        G   3   9.516   2.748   5.975
   27    H3*    G   3           H3*        G   3  10.337   1.822   8.490
   28    H1*    G   3           H1*        G   3   7.016   3.272   7.522
   29    H8     G   3           H8         G   3   6.266  -0.542   8.153
   30    H1     G   3           H1         G   3   1.159   3.353   7.686
   31   1H2     G   3          1H2         G   3   1.798   5.405   7.281
   32   2H2     G   3          2H2         G   3   3.498   5.856   7.117
   33   1H2*    G   3          1H2*        G   3   8.227   0.801   8.909
   34   2H2*    G   3          2H2*        G   3   7.913   2.499   9.555
   35   1H5*    A   4          2H5*        A   4   7.497   4.443  10.600
   36   2H5*    A   4          1H5*        A   4   7.296   4.880   8.884
   37    H4*    A   4           H4*        A   4   6.965   7.268   9.642
   38    H3*    A   4           H3*        A   4   7.792   6.501  12.145
   39    H1*    A   4           H1*        A   4   4.035   6.949  11.266
   40    H8     A   4           H8         A   4   4.937   3.267  12.073
   41   1H6     A   4          1H6         A   4  -0.901   1.942  10.462
   42   2H6     A   4          2H6         A   4   0.598   1.304  11.144
   43    H2     A   4           H2         A   4  -0.127   6.270   9.534
   44   1H2*    A   4          1H2*        A   4   6.005   5.025  12.575
   45   2H2*    A   4          2H2*        A   4   5.232   6.596  13.151
   46   1H5*    G   5          2H5*        G   5   6.140   9.547  15.852
   47   2H5*    G   5          1H5*        G   5   5.704   7.941  15.215
   48    H4*    G   5           H4*        G   5   3.762  10.258  15.164
   49    H3*    G   5           H3*        G   5   4.556   9.355  17.608
   50    H1*    G   5           H1*        G   5   1.524   7.987  15.930
   51    H8     G   5           H8         G   5   4.297   5.320  15.081
   52    H1     G   5           H1         G   5  -1.813   3.521  14.133
   53   1H2     G   5          1H2         G   5  -3.177   5.158  14.627
   54   2H2     G   5          2H2         G   5  -2.607   6.728  15.201
   55   1H2*    G   5          1H2*        G   5   4.281   7.041  16.927
   56   2H2*    G   5          2H2*        G   5   2.725   7.393  17.849
   57   1H5*    G   6          2H5*        G   6  -0.432  10.287  17.295
   58   2H5*    G   6          1H5*        G   6  -0.431  11.311  18.753
   59    H4*    G   6           H4*        G   6  -2.612  10.241  18.505
   60    H3*    G   6           H3*        G   6  -1.225  10.056  20.876
   61    H1*    G   6           H1*        G   6  -3.035   7.065  19.308
   62    H8     G   6           H8         G   6   0.850   6.622  18.977
   63    H1     G   6           H1         G   6  -2.761   1.699  16.929
   64   1H2     G   6          1H2         G   6  -4.885   2.202  17.065
   65   2H2     G   6          2H2         G   6  -5.456   3.763  17.664
   66   1H2*    G   6          1H2*        G   6  -0.340   7.893  20.497
   67   2H2*    G   6          2H2*        G   6  -1.949   7.444  21.277
   68   1H5*    A   7          2H5*        A   7  -5.594   8.250  21.274
   69   2H5*    A   7          1H5*        A   7  -6.241   8.437  22.923
   70    H4*    A   7           H4*        A   7  -6.463   6.108  22.088
   71    H3*    A   7           H3*        A   7  -4.605   6.600  24.414
   72    H1*    A   7           H1*        A   7  -5.290   3.979  21.648
   73    H8     A   7           H8         A   7  -1.642   5.318  22.055
   74   1H6     A   7          1H6         A   7   0.098  -0.147  19.703
   75   2H6     A   7          2H6         A   7   0.647   1.440  20.249
   76    H2     A   7           H2         A   7  -4.361  -0.205  20.258
   77   1H2*    A   7          1H2*        A   7  -3.676   4.536  24.141
   78   2H2*    A   7          2H2*        A   7  -5.339   3.789  23.866
   79   1H5*    A   8          2H5*        A   8  -8.174   3.858  24.554
   80   2H5*    A   8          1H5*        A   8  -9.003   3.809  26.130
   81    H4*    A   8           H4*        A   8  -8.954   1.572  25.108
   82    H3*    A   8           H3*        A   8  -8.021   2.055  27.715
   83    H1*    A   8           H1*        A   8  -6.591  -0.404  25.152
   84    H8     A   8           H8         A   8  -3.993   2.477  25.772
   85   1H6     A   8          1H6         A   8  -0.101  -1.053  22.482
   86   2H6     A   8          2H6         A   8  -0.279   0.445  23.402
   87    H2     A   8           H2         A   8  -4.102  -3.094  22.600
   88   1H2*    A   8          1H2*        A   8  -5.758   1.724  27.195
   89   2H2*    A   8          2H2*        A   8  -6.252  -0.039  27.398
   90   1H5*    G   9          1H5*        G   9  -9.705  -3.107  27.617
   91   2H5*    G   9          2H5*        G   9  -8.613  -2.522  26.336
   92    H4*    G   9           H4*        G   9  -8.331  -4.951  26.807
   93    H3*    G   9           H3*        G   9  -8.432  -4.307  29.510
   94    H1*    G   9           H1*        G   9  -5.049  -5.116  27.641
   95    H8     G   9           H8         G   9  -5.472  -1.552  29.156
   96    H1     G   9           H1         G   9  -0.188  -2.456  25.587
   97   1H2     G   9          1H2         G   9  -0.238  -4.423  24.633
   98   2H2     G   9          2H2         G   9  -1.577  -5.554  24.857
   99   1H2*    G   9          1H2*        G   9  -6.316  -3.413  29.790
  100   2H2*    G   9          2H2*        G   9  -5.784  -5.177  29.738
  101   1H5*    A  10          2H5*        A  10  -6.374  -8.526  28.640
  102   2H5*    A  10          1H5*        A  10  -6.902  -9.698  29.875
  103    H4*    A  10           H4*        A  10  -4.451  -9.818  29.515
  104    H3*    A  10           H3*        A  10  -5.632  -9.444  32.071
  105    H1*    A  10           H1*        A  10  -2.315  -8.105  30.684
  106    H8     A  10           H8         A  10  -4.297  -5.268  32.336
  107   1H6     A  10          1H6         A  10  -0.308  -1.381  29.615
  108   2H6     A  10          2H6         A  10  -1.627  -1.528  30.780
  109    H2     A  10           H2         A  10   0.415  -5.509  27.993
  110   1H2*    A  10          1H2*        A  10  -4.705  -7.340  32.441
  111   2H2*    A  10          2H2*        A  10  -3.186  -8.323  32.793
  112   1H5*    G  11          2H5*        G  11  -1.123 -11.187  31.861
  113   2H5*    G  11          1H5*        G  11  -1.072 -12.441  33.126
  114    H4*    G  11           H4*        G  11   1.077 -11.256  32.990
  115    H3*    G  11           H3*        G  11  -0.281 -11.579  35.399
  116    H1*    G  11           H1*        G  11   1.670  -8.527  34.354
  117    H8     G  11           H8         G  11  -2.086  -7.476  34.650
  118    H1     G  11           H1         G  11   2.021  -2.818  32.944
  119   1H2     G  11          1H2         G  11   4.026  -3.639  32.646
  120   2H2     G  11          2H2         G  11   4.392  -5.354  32.862
  121   1H2*    G  11          1H2*        G  11  -1.070  -9.342  35.487
  122   2H2*    G  11          2H2*        G  11   0.570  -9.139  36.303
  123   1H5*    A  12          2H5*        A  12   4.137  -9.734  35.379
  124   2H5*    A  12          1H5*        A  12   4.990 -10.618  36.671
  125    H4*    A  12           H4*        A  12   5.903  -8.365  36.490
  126    H3*    A  12           H3*        A  12   4.819  -9.303  38.931
  127    H1*    A  12           H1*        A  12   5.028  -5.885  37.528
  128    H8     A  12           H8         A  12   1.271  -6.368  38.320
  129   1H6     A  12          1H6         A  12   0.444  -0.803  35.717
  130   2H6     A  12          2H6         A  12  -0.325  -2.115  36.616
  131    H2     A  12           H2         A  12   4.719  -2.036  35.086
  132   1H2*    A  12          1H2*        A  12   2.979  -7.803  38.814
  133   2H2*    A  12          2H2*        A  12   4.234  -6.710  39.606
  134   1H5*    A  13          2H5*        A  13   8.429  -6.014  38.731
  135   2H5*    A  13          1H5*        A  13   9.372  -6.461  40.175
  136    H4*    A  13           H4*        A  13   9.710  -4.091  39.573
  137    H3*    A  13           H3*        A  13   9.165  -4.891  42.147
  138    H1*    A  13           H1*        A  13   7.436  -1.862  40.530
  139    H8     A  13           H8         A  13   4.985  -4.933  40.654
  140   1H6     A  13          1H6         A  13   0.622  -0.826  39.066
  141   2H6     A  13          2H6         A  13   0.947  -2.511  39.483
  142    H2     A  13           H2         A  13   4.573   1.307  39.240
  143    H3T    A  13           H3T        A  13   9.736  -2.701  42.668
  144   1H2*    A  13          1H2*        A  13   6.848  -4.422  42.094
  145   2H2*    A  13          2H2*        A  13   7.485  -2.773  42.614
  146   1H5*    U  26          1H5*        U  26  -1.523   8.865  37.316
  147   2H5*    U  26          2H5*        U  26  -2.310   7.883  38.578
  148    H4*    U  26           H4*        U  26   0.135   8.628  38.986
  149    H3*    U  26           H3*        U  26   0.550   6.458  36.905
  150    H2*    U  26           H2*        U  26   2.493   5.782  38.164
  151   2HO*    U  26          2HO*        U  26   3.148   7.952  38.791
  152    H1*    U  26           H1*        U  26   1.236   5.888  40.622
  153    H3     U  26           H3         U  26   1.748   1.496  39.173
  154    H5     U  26           H5         U  26  -2.122   2.732  38.025
  155    H6     U  26           H6         U  26  -1.509   4.990  38.627
  156   3H5*    U  26          3H5*        U  26  -1.687   7.102  37.112
  157   1H5*    U  25          2H5*        U  25   4.478   7.759  36.984
  158   2H5*    U  25          1H5*        U  25   5.070   7.892  35.308
  159    H4*    U  25           H4*        U  25   6.281   6.171  36.680
  160    H3*    U  25           H3*        U  25   4.641   5.096  34.343
  161    H2*    U  25           H2*        U  25   5.775   2.992  34.813
  162   2HO*    U  25          2HO*        U  25   7.827   3.938  35.459
  163    H1*    U  25           H1*        U  25   5.305   3.187  37.540
  164    H3     U  25           H3         U  25   2.415   0.029  35.857
  165    H5     U  25           H5         U  25   0.456   3.738  35.380
  166    H6     U  25           H6         U  25   2.514   4.832  36.018
  167   1H5*    C  24          2H5*        C  24   8.599   3.526  33.386
  168   2H5*    C  24          1H5*        C  24   8.804   3.803  31.637
  169    H4*    C  24           H4*        C  24   9.027   1.387  32.396
  170    H3*    C  24           H3*        C  24   6.783   2.043  30.437
  171    H2*    C  24           H2*        C  24   6.466  -0.320  30.288
  172   2HO*    C  24          2HO*        C  24   8.122  -1.704  30.756
  173    H1*    C  24           H1*        C  24   7.039  -0.779  33.034
  174   1H4     C  24          1H4         C  24   0.697  -1.302  32.319
  175   2H4     C  24          2H4         C  24   0.529   0.406  32.739
  176    H5     C  24           H5         C  24   2.431   1.882  33.032
  177    H6     C  24           H6         C  24   4.890   2.014  32.980
  178   1H5*    U  23          2H5*        U  23   9.382  -1.177  28.834
  179   2H5*    U  23          1H5*        U  23   9.360  -1.101  27.053
  180    H4*    U  23           H4*        U  23   8.578  -3.299  28.085
  181    H3*    U  23           H3*        U  23   6.650  -1.736  26.324
  182    H2*    U  23           H2*        U  23   5.171  -3.610  26.515
  183   2HO*    U  23          2HO*        U  23   6.165  -5.540  26.639
  184    H1*    U  23           H1*        U  23   5.726  -4.064  29.233
  185    H3     U  23           H3         U  23   1.439  -2.673  29.529
  186    H5     U  23           H5         U  23   3.525   0.795  28.327
  187    H6     U  23           H6         U  23   5.516  -0.556  28.113
  188   1H5*    C  22          2H5*        C  22   7.684  -5.983  24.859
  189   2H5*    C  22          1H5*        C  22   7.544  -6.043  23.084
  190    H4*    C  22           H4*        C  22   6.237  -7.829  24.367
  191    H3*    C  22           H3*        C  22   5.067  -6.026  22.315
  192    H2*    C  22           H2*        C  22   2.856  -6.412  22.895
  193   2HO*    C  22          2HO*        C  22   2.435  -8.534  23.132
  194    H1*    C  22           H1*        C  22   3.105  -6.991  25.634
  195   1H4     C  22          1H4         C  22   1.363  -0.914  26.251
  196   2H4     C  22          2H4         C  22   2.011  -0.501  24.660
  197    H5     C  22           H5         C  22   3.176  -2.100  23.258
  198    H6     C  22           H6         C  22   3.957  -4.431  23.102
  199   1H5*    U  21          2H5*        U  21   3.001  -9.988  21.385
  200   2H5*    U  21          1H5*        U  21   2.805  -9.993  19.614
  201    H4*    U  21           H4*        U  21   0.650  -9.981  21.013
  202    H3*    U  21           H3*        U  21   1.151  -7.760  18.993
  203    H2*    U  21           H2*        U  21  -1.074  -7.010  19.490
  204   2HO*    U  21          2HO*        U  21  -2.544  -8.421  20.305
  205    H1*    U  21           H1*        U  21  -0.863  -7.443  22.250
  206    H3     U  21           H3         U  21  -0.956  -2.927  22.161
  207    H5     U  21           H5         U  21   2.791  -3.879  20.465
  208    H6     U  21           H6         U  21   2.162  -6.210  20.546
  209   1H5*    U  20          2H5*        U  20  -2.873  -9.573  18.239
  210   2H5*    U  20          1H5*        U  20  -3.290  -9.290  16.530
  211    H4*    U  20           H4*        U  20  -4.830  -8.234  18.293
  212    H3*    U  20           H3*        U  20  -3.479  -6.449  16.225
  213    H2*    U  20           H2*        U  20  -4.876  -4.689  17.103
  214   2HO*    U  20          2HO*        U  20  -6.709  -5.193  18.200
  215    H1*    U  20           H1*        U  20  -4.464  -5.411  19.772
  216    H3     U  20           H3         U  20  -2.113  -1.548  19.539
  217    H5     U  20           H5         U  20   0.233  -4.295  17.354
  218    H6     U  20           H6         U  20  -1.551  -5.907  17.592
  219   1H5*    C  19          2H5*        C  19  -7.927  -5.888  16.285
  220   2H5*    C  19          1H5*        C  19  -8.451  -5.283  14.693
  221    H4*    C  19           H4*        C  19  -8.982  -3.800  16.711
  222    H3*    C  19           H3*        C  19  -7.276  -2.663  14.456
  223    H2*    C  19           H2*        C  19  -7.505  -0.546  15.591
  224   2HO*    C  19          2HO*        C  19  -9.024  -0.287  17.232
  225    H1*    C  19           H1*        C  19  -7.082  -1.646  18.126
  226   1H4     C  19          1H4         C  19  -1.257   0.332  16.523
  227   2H4     C  19          2H4         C  19  -1.096  -0.948  15.316
  228    H5     C  19           H5         C  19  -2.887  -2.496  14.793
  229    H6     C  19           H6         C  19  -5.207  -3.128  15.327
  230   1H5*    C  18          2H5*        C  18 -10.223   0.233  15.080
  231   2H5*    C  18          1H5*        C  18 -10.936   0.685  13.510
  232    H4*    C  18           H4*        C  18 -10.078   2.659  14.749
  233    H3*    C  18           H3*        C  18  -8.504   1.935  12.246
  234    H2*    C  18           H2*        C  18  -7.286   3.966  12.605
  235   2HO*    C  18          2HO*        C  18  -8.165   5.599  13.801
  236    H1*    C  18           H1*        C  18  -7.174   3.672  15.401
  237   1H4     C  18          1H4         C  18  -1.495   1.689  13.264
  238   2H4     C  18          2H4         C  18  -2.150   0.071  12.991
  239    H5     C  18           H5         C  18  -4.499  -0.461  13.266
  240    H6     C  18           H6         C  18  -6.704   0.460  13.862
  241   1H5*    U  17          2H5*        U  17  -9.551   6.083  11.891
  242   2H5*    U  17          1H5*        U  17  -9.841   6.485  10.179
  243    H4*    U  17           H4*        U  17  -7.975   7.799  11.232
  244    H3*    U  17           H3*        U  17  -7.153   5.882   9.005
  245    H2*    U  17           H2*        U  17  -5.006   7.004   9.133
  246   2HO*    U  17          2HO*        U  17  -4.792   8.918  10.278
  247    H1*    U  17           H1*        U  17  -4.975   6.950  11.922
  248    H3     U  17           H3         U  17  -1.850   3.838  10.838
  249    H5     U  17           H5         U  17  -5.532   1.922  10.065
  250    H6     U  17           H6         U  17  -6.642   4.025  10.496
  251   1H5*    C  16          2H5*        C  16  -5.499   9.600   7.907
  252   2H5*    C  16          1H5*        C  16  -5.891   9.907   6.196
  253    H4*    C  16           H4*        C  16  -3.455  10.099   6.670
  254    H3*    C  16           H3*        C  16  -4.206   7.691   4.951
  255    H2*    C  16           H2*        C  16  -1.855   7.418   4.648
  256   2HO*    C  16          2HO*        C  16  -0.583   9.190   4.673
  257    H1*    C  16           H1*        C  16  -1.213   8.287   7.290
  258   1H4     C  16          1H4         C  16  -0.301   1.955   7.144
  259   2H4     C  16          2H4         C  16  -1.977   1.715   7.650
  260    H5     C  16           H5         C  16  -3.568   3.536   7.837
  261    H6     C  16           H6         C  16  -3.870   5.966   7.574
  262   1H5*    U  15          2H5*        U  15  -1.283  10.406   2.790
  263   2H5*    U  15          1H5*        U  15  -1.520  10.160   1.041
  264    H4*    U  15           H4*        U  15   0.833   9.719   1.927
  265    H3*    U  15           H3*        U  15  -0.659   7.436   0.567
  266    H2*    U  15           H2*        U  15   1.417   6.230   0.703
  267   2HO*    U  15          2HO*        U  15   3.237   7.414   0.632
  268    H1*    U  15           H1*        U  15   2.010   7.126   3.297
  269    H3     U  15           H3         U  15   1.195   2.732   4.032
  270    H5     U  15           H5         U  15  -2.617   4.346   3.203
  271    H6     U  15           H6         U  15  -1.540   6.440   2.663
  272   1H5*    C  14          2H5*        C  14   3.372   8.513  -1.491
  273   2H5*    C  14          1H5*        C  14   3.237   7.960  -3.179
  274    H4*    C  14           H4*        C  14   5.235   7.052  -1.912
  275    H3*    C  14           H3*        C  14   3.173   5.068  -2.945
  276    H2*    C  14           H2*        C  14   4.675   3.344  -2.222
  277   2HO*    C  14          2HO*        C  14   6.679   4.260  -2.831
  278    H1*    C  14           H1*        C  14   5.379   4.637   0.165
  279   1H4     C  14          1H4         C  14   0.859   0.647   2.160
  280   2H4     C  14          2H4         C  14  -0.378   1.465   1.199
  281    H5     C  14           H5         C  14   0.118   3.323  -0.278
  282    H6     C  14           H6         C  14   1.913   4.777  -1.133
  283    H3T    C  14           H3T        C  14   4.911   4.772  -4.456