NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type
9039 1na2 5632 cing 1-original 11 MR format nomenclature mapping






  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1  38.451   1.623 -25.102
    2   2H5*    G   1          2H5*        G   1  39.432   2.820 -24.232
    3    H4*    G   1           H4*        G   1  37.074   2.986 -23.568
    4    H3*    G   1           H3*        G   1  39.204   2.176 -21.612
    5    H2*    G   1           H2*        G   1  37.628   1.604 -19.906
    6   2HO*    G   1          2HO*        G   1  35.548   2.761 -21.480
    7    H1*    G   1           H1*        G   1  35.764   0.360 -21.398
    8    H8     G   1           H8         G   1  39.467  -0.051 -22.433
    9    H1     G   1           H1         G   1  37.147  -4.814 -18.888
   10   1H2     G   1          1H2         G   1  35.099  -4.313 -18.192
   11   2H2     G   1          2H2         G   1  34.308  -2.807 -18.601
   12    H5T    G   1           H5T        G   1  40.407   1.275 -23.154
   13   1H5*    G   2          1H5*        G   2  36.590   4.033 -19.764
   14   2H5*    G   2          2H5*        G   2  36.878   5.181 -18.441
   15    H4*    G   2           H4*        G   2  35.799   3.173 -17.555
   16    H3*    G   2           H3*        G   2  38.658   3.765 -16.825
   17    H2*    G   2           H2*        G   2  39.006   1.673 -15.939
   18   2HO*    G   2          2HO*        G   2  36.949   2.384 -14.545
   19    H1*    G   2           H1*        G   2  36.684   0.330 -17.005
   20    H8     G   2           H8         G   2  39.637   1.309 -19.151
   21    H1     G   2           H1         G   2  40.505  -4.232 -16.123
   22   1H2     G   2          1H2         G   2  38.824  -4.592 -14.718
   23   2H2     G   2          2H2         G   2  37.499  -3.465 -14.531
   24   1H5*    G   3          1H5*        G   3  35.641   3.497 -13.032
   25   2H5*    G   3          2H5*        G   3  36.552   4.001 -11.594
   26    H4*    G   3           H4*        G   3  35.422   1.665 -11.565
   27    H3*    G   3           H3*        G   3  38.284   2.297 -10.785
   28    H2*    G   3           H2*        G   3  38.731   0.035 -10.420
   29   2HO*    G   3          2HO*        G   3  36.067  -0.819 -10.615
   30    H1*    G   3           H1*        G   3  37.170  -1.072 -12.394
   31    H8     G   3           H8         G   3  39.182   1.748 -13.773
   32    H1     G   3           H1         G   3  42.634  -3.549 -12.997
   33   1H2     G   3          1H2         G   3  41.511  -5.013 -11.772
   34   2H2     G   3          2H2         G   3  39.911  -4.682 -11.145
   35   1H5*    C   4          1H5*        C   4  36.215  -0.425  -8.466
   36   2H5*    C   4          2H5*        C   4  36.152  -0.086  -6.725
   37    H4*    C   4           H4*        C   4  36.567  -2.447  -6.996
   38    H3*    C   4           H3*        C   4  38.911  -0.760  -6.084
   39    H2*    C   4           H2*        C   4  40.309  -2.674  -6.044
   40   2HO*    C   4          2HO*        C   4  39.207  -4.812  -6.465
   41    H1*    C   4           H1*        C   4  39.443  -3.854  -8.343
   42   1H4     C   4          1H4         C   4  44.452  -0.376 -10.152
   43   2H4     C   4          2H4         C   4  43.464   1.058 -10.147
   44    H5     C   4           H5         C   4  41.212   1.102  -9.393
   45    H6     C   4           H6         C   4  39.366  -0.201  -8.473
   46   1H5*    U   5          1H5*        U   5  38.923  -4.048  -2.995
   47   2H5*    U   5          2H5*        U   5  40.044  -3.397  -1.783
   48    H4*    U   5           H4*        U   5  40.799  -5.364  -3.374
   49    H3*    U   5           H3*        U   5  42.426  -2.897  -2.628
   50    H2*    U   5           H2*        U   5  44.246  -3.896  -3.816
   51   2HO*    U   5          2HO*        U   5  42.750  -6.247  -4.317
   52    H1*    U   5           H1*        U   5  42.776  -4.728  -5.964
   53    H3     U   5           H3         U   5  45.379  -1.310  -7.434
   54    H5     U   5           H5         U   5  42.249   0.576  -5.379
   55    H6     U   5           H6         U   5  41.503  -1.599  -4.621
   56   1H5*    G   6          1H5*        G   6  44.270  -6.291  -2.223
   57   2H5*    G   6          2H5*        G   6  45.559  -6.610  -1.046
   58    H4*    G   6           H4*        G   6  46.296  -6.789  -3.444
   59    H3*    G   6           H3*        G   6  47.559  -4.737  -1.582
   60    H2*    G   6           H2*        G   6  49.074  -4.204  -3.331
   61   2HO*    G   6          2HO*        G   6  48.460  -6.793  -4.127
   62    H1*    G   6           H1*        G   6  47.262  -4.359  -5.402
   63    H8     G   6           H8         G   6  45.430  -2.416  -2.893
   64    H1     G   6           H1         G   6  50.415   0.912  -5.030
   65   1H2     G   6          1H2         G   6  51.751  -0.406  -6.220
   66   2H2     G   6          2H2         G   6  51.431  -2.108  -6.455
   67   1H5*    U   7          1H5*        U   7  50.312  -6.283  -3.074
   68   2H5*    U   7          2H5*        U   7  51.458  -7.407  -2.316
   69    H4*    U   7           H4*        U   7  53.030  -5.994  -3.165
   70    H3*    U   7           H3*        U   7  52.014  -4.549  -0.689
   71    H2*    U   7           H2*        U   7  53.424  -2.722  -1.241
   72   2HO*    U   7          2HO*        U   7  54.759  -3.305  -3.375
   73    H1*    U   7           H1*        U   7  52.949  -2.696  -3.915
   74    H3     U   7           H3         U   7  50.806   1.016  -2.595
   75    H5     U   7           H5         U   7  48.610  -2.048  -0.776
   76    H6     U   7           H6         U   7  50.230  -3.645  -1.605
   77   1H5*    U   8          1H5*        U   8  56.716  -4.518  -0.257
   78   2H5*    U   8          2H5*        U   8  56.856  -4.655   1.506
   79    H4*    U   8           H4*        U   8  58.066  -2.669   0.587
   80    H3*    U   8           H3*        U   8  55.713  -2.244   2.478
   81    H2*    U   8           H2*        U   8  56.184   0.077   2.426
   82   2HO*    U   8          2HO*        U   8  58.723  -0.840   1.736
   83    H1*    U   8           H1*        U   8  56.780   0.241  -0.264
   84    H3     U   8           H3         U   8  52.980   2.611   0.317
   85    H5     U   8           H5         U   8  51.746  -1.405   0.670
   86    H6     U   8           H6         U   8  54.085  -2.052   0.592
   87   1H5*    U   9          1H5*        U   9  59.510   0.108   3.192
   88   2H5*    U   9          2H5*        U   9  59.628   0.437   4.931
   89    H4*    U   9           H4*        U   9  59.731   2.447   3.285
   90    H3*    U   9           H3*        U   9  57.933   2.299   5.738
   91    H2*    U   9           H2*        U   9  57.269   4.531   5.292
   92   2HO*    U   9          2HO*        U   9  59.733   4.831   4.519
   93    H1*    U   9           H1*        U   9  57.149   4.293   2.533
   94    H3     U   9           H3         U   9  52.932   5.097   4.095
   95    H5     U   9           H5         U   9  53.605   0.995   4.814
   96    H6     U   9           H6         U   9  55.915   1.325   4.168
   97   1H5*    U  10          1H5*        U  10  61.083   5.418   7.322
   98   2H5*    U  10          2H5*        U  10  60.759   5.329   9.065
   99    H4*    U  10           H4*        U  10  60.156   7.516   7.721
  100    H3*    U  10           H3*        U  10  58.409   6.113   9.784
  101    H2*    U  10           H2*        U  10  56.844   7.866   9.527
  102   2HO*    U  10          2HO*        U  10  59.006   9.342   9.271
  103    H1*    U  10           H1*        U  10  57.226   8.267   6.788
  104    H3     U  10           H3         U  10  52.868   7.169   7.702
  105    H5     U  10           H5         U  10  54.941   3.504   7.560
  106    H6     U  10           H6         U  10  57.018   4.759   7.463
  107   1H5*    U  11          1H5*        U  11  58.709  10.408  11.302
  108   2H5*    U  11          2H5*        U  11  58.616  10.172  13.059
  109    H4*    U  11           H4*        U  11  56.779  11.617  11.996
  110    H3*    U  11           H3*        U  11  56.183   9.185  13.727
  111    H2*    U  11           H2*        U  11  53.887   9.753  13.558
  112   2HO*    U  11          2HO*        U  11  53.936  12.063  12.172
  113    H1*    U  11           H1*        U  11  53.924  10.566  10.921
  114    H3     U  11           H3         U  11  51.203   6.933  11.212
  115    H5     U  11           H5         U  11  55.110   5.359  11.296
  116    H6     U  11           H6         U  11  55.952   7.622  11.437
  117   1H5*    C  12          1H5*        C  12  53.928  12.586  15.438
  118   2H5*    C  12          2H5*        C  12  53.990  12.381  17.200
  119    H4*    C  12           H4*        C  12  51.656  12.493  16.345
  120    H3*    C  12           H3*        C  12  52.644   9.899  17.602
  121    H2*    C  12           H2*        C  12  50.447   9.043  17.390
  122   2HO*    C  12          2HO*        C  12  49.708  11.437  17.985
  123    H1*    C  12           H1*        C  12  49.885  10.175  14.915
  124   1H4     C  12          1H4         C  12  51.341   4.048  14.057
  125   2H4     C  12          2H4         C  12  53.040   4.392  14.248
  126    H5     C  12           H5         C  12  53.884   6.577  14.798
  127    H6     C  12           H6         C  12  53.278   8.874  15.319
  128   1H5*    U  13          1H5*        U  13  49.924   9.416  21.545
  129   2H5*    U  13          2H5*        U  13  51.131   8.117  21.504
  130    H4*    U  13           H4*        U  13  48.411   8.229  20.182
  131    H3*    U  13           H3*        U  13  49.819   6.541  22.220
  132    H2*    U  13           H2*        U  13  49.562   4.611  20.987
  133   2HO*    U  13          2HO*        U  13  47.025   4.776  20.125
  134    H1*    U  13           H1*        U  13  47.965   5.983  18.848
  135    H3     U  13           H3         U  13  48.746   1.819  17.124
  136    H5     U  13           H5         U  13  52.533   3.672  17.296
  137    H6     U  13           H6         U  13  51.517   5.497  18.511
  138   1H5*    C  14          1H5*        C  14  45.665   5.514  21.418
  139   2H5*    C  14          2H5*        C  14  44.693   5.371  22.897
  140    H4*    C  14           H4*        C  14  44.092   3.504  21.559
  141    H3*    C  14           H3*        C  14  46.045   2.851  23.785
  142    H2*    C  14           H2*        C  14  46.133   0.599  23.101
  143   2HO*    C  14          2HO*        C  14  44.418   0.137  21.252
  144    H1*    C  14           H1*        C  14  45.987   0.996  20.365
  145   1H4     C  14          1H4         C  14  52.117   0.016  21.786
  146   2H4     C  14          2H4         C  14  52.265   1.673  22.326
  147    H5     C  14           H5         C  14  50.390   3.194  22.454
  148    H6     C  14           H6         C  14  47.984   3.440  22.072
  149   1H5*    G  15          1H5*        G  15  44.442  -0.144  27.344
  150   2H5*    G  15          2H5*        G  15  45.631   1.030  26.741
  151    H4*    G  15           H4*        G  15  45.005  -1.513  25.220
  152    H3*    G  15           H3*        G  15  46.000  -1.710  27.773
  153    H2*    G  15           H2*        G  15  47.786  -0.117  27.401
  154   2HO*    G  15          2HO*        G  15  49.558  -1.901  26.610
  155    H1*    G  15           H1*        G  15  48.332  -1.589  24.807
  156    H8     G  15           H8         G  15  50.467  -0.527  23.956
  157    H1     G  15           H1         G  15  49.267   5.173  26.518
  158   1H2     G  15          1H2         G  15  47.327   5.125  27.586
  159   2H2     G  15          2H2         G  15  46.334   3.689  27.653
  160   1H5*    C  16          1H5*        C  16  44.403  -4.243  22.595
  161   2H5*    C  16          2H5*        C  16  45.708  -5.097  23.440
  162    H4*    C  16           H4*        C  16  45.902  -2.658  21.651
  163    H3*    C  16           H3*        C  16  46.552  -5.510  21.417
  164    H2*    C  16           H2*        C  16  48.821  -5.292  21.835
  165   2HO*    C  16          2HO*        C  16  48.718  -3.487  19.620
  166    H1*    C  16           H1*        C  16  48.808  -2.314  21.480
  167   1H4     C  16          1H4         C  16  53.974  -3.148  25.095
  168   2H4     C  16          2H4         C  16  53.140  -4.306  26.107
  169    H5     C  16           H5         C  16  50.861  -5.009  25.712
  170    H6     C  16           H6         C  16  48.902  -4.731  24.271
  171   1H5*    U  17          1H5*        U  17  46.181  -4.295  16.250
  172   2H5*    U  17          2H5*        U  17  47.694  -5.011  15.666
  173    H4*    U  17           H4*        U  17  47.052  -2.201  16.323
  174    H3*    U  17           H3*        U  17  48.704  -3.706  14.398
  175    H2*    U  17           H2*        U  17  50.734  -2.880  15.103
  176   2HO*    U  17          2HO*        U  17  50.427  -0.264  15.166
  177    H1*    U  17           H1*        U  17  49.578  -0.808  16.900
  178    H3     U  17           H3         U  17  54.225  -1.104  17.314
  179    H5     U  17           H5         U  17  52.517  -4.097  19.728
  180    H6     U  17           H6         U  17  50.379  -3.668  18.628
  181   1H5*    G  18          1H5*        G  18  44.480  -2.386  13.276
  182   2H5*    G  18          2H5*        G  18  44.259  -1.597  11.700
  183    H4*    G  18           H4*        G  18  42.719  -0.678  13.410
  184    H3*    G  18           H3*        G  18  44.721   0.995  11.964
  185    H2*    G  18           H2*        G  18  44.674   2.821  13.446
  186   2HO*    G  18          2HO*        G  18  42.138   1.762  14.216
  187    H1*    G  18           H1*        G  18  44.374   1.574  15.845
  188    H8     G  18           H8         G  18  46.713  -0.781  14.716
  189    H1     G  18           H1         G  18  49.553   4.899  14.677
  190   1H2     G  18          1H2         G  18  48.038   6.516  14.790
  191   2H2     G  18          2H2         G  18  46.322   6.193  14.881
  192   1H5*    A  19          1H5*        A  19  41.870   3.530  12.306
  193   2H5*    A  19          2H5*        A  19  40.679   3.680  10.998
  194    H4*    A  19           H4*        A  19  41.020   5.916  11.364
  195    H3*    A  19           H3*        A  19  43.236   5.003   9.509
  196    H2*    A  19           H2*        A  19  44.203   7.190   9.590
  197   2HO*    A  19          2HO*        A  19  41.757   8.004   9.942
  198    H1*    A  19           H1*        A  19  44.192   7.412  12.251
  199    H8     A  19           H8         A  19  44.361   3.749  11.326
  200   1H6     A  19          1H6         A  19  50.471   4.368  11.021
  201   2H6     A  19          2H6         A  19  49.143   3.229  11.010
  202    H2     A  19           H2         A  19  48.667   8.457  11.446
  203   1H5*    C  20          1H5*        C  20  42.287   8.569   8.209
  204   2H5*    C  20          2H5*        C  20  42.633   8.861   6.494
  205    H4*    C  20           H4*        C  20  44.182   9.996   8.208
  206    H3*    C  20           H3*        C  20  45.226   8.204   5.978
  207    H2*    C  20           H2*        C  20  47.403   8.896   6.612
  208   2HO*    C  20          2HO*        C  20  47.092  10.707   8.499
  209    H1*    C  20           H1*        C  20  46.865   8.990   9.364
  210   1H4     C  20          1H4         C  20  50.470   3.915   8.009
  211   2H4     C  20          2H4         C  20  49.021   2.932   8.059
  212    H5     C  20           H5         C  20  46.799   3.871   8.250
  213    H6     C  20           H6         C  20  45.496   5.942   8.413
  214   1H5*    U  21          1H5*        U  21  46.823  11.828   4.442
  215   2H5*    U  21          2H5*        U  21  47.017  11.636   2.688
  216    H4*    U  21           H4*        U  21  49.144  11.508   4.187
  217    H3*    U  21           H3*        U  21  48.347   9.609   1.968
  218    H2*    U  21           H2*        U  21  50.025   8.128   2.527
  219   2HO*    U  21          2HO*        U  21  52.039   8.817   2.752
  220    H1*    U  21           H1*        U  21  50.576   9.118   5.186
  221    H3     U  21           H3         U  21  51.037   4.564   5.081
  222    H5     U  21           H5         U  21  46.897   5.300   5.243
  223    H6     U  21           H6         U  21  47.375   7.650   4.825
  224   1H5*    U  22          1H5*        U  22  52.626  10.910   1.380
  225   2H5*    U  22          2H5*        U  22  52.926  11.023  -0.365
  226    H4*    U  22           H4*        U  22  54.567   9.553   0.796
  227    H3*    U  22           H3*        U  22  52.697   8.395  -1.299
  228    H2*    U  22           H2*        U  22  53.769   6.291  -1.041
  229   2HO*    U  22          2HO*        U  22  55.866   6.342  -0.794
  230    H1*    U  22           H1*        U  22  54.030   6.346   1.690
  231    H3     U  22           H3         U  22  50.946   3.130   0.824
  232    H5     U  22           H5         U  22  48.852   6.754   0.383
  233    H6     U  22           H6         U  22  50.970   7.910   0.609
  234   1H5*    U  23          1H5*        U  23  56.874   7.678  -2.399
  235   2H5*    U  23          2H5*        U  23  57.219   8.340  -4.009
  236    H4*    U  23           H4*        U  23  58.212   6.205  -4.068
  237    H3*    U  23           H3*        U  23  55.448   6.220  -5.312
  238    H2*    U  23           H2*        U  23  55.566   3.897  -5.675
  239   2HO*    U  23          2HO*        U  23  58.372   4.160  -5.242
  240    H1*    U  23           H1*        U  23  56.917   3.163  -3.410
  241    H3     U  23           H3         U  23  52.934   1.179  -2.732
  242    H5     U  23           H5         U  23  52.054   5.288  -2.415
  243    H6     U  23           H6         U  23  54.332   5.763  -3.112
  244   1H5*    C  24          1H5*        C  24  58.023   4.390  -8.753
  245   2H5*    C  24          2H5*        C  24  57.073   4.890 -10.166
  246    H4*    C  24           H4*        C  24  57.310   2.377  -9.836
  247    H3*    C  24           H3*        C  24  54.618   3.774 -10.028
  248    H2*    C  24           H2*        C  24  53.554   1.657  -9.898
  249   2HO*    C  24          2HO*        C  24  55.737   0.011  -9.840
  250    H1*    C  24           H1*        C  24  55.212   0.537  -8.007
  251   1H4     C  24          1H4         C  24  50.061   2.637  -4.911
  252   2H4     C  24          2H4         C  24  50.649   4.279  -5.011
  253    H5     C  24           H5         C  24  52.642   4.901  -6.196
  254    H6     C  24           H6         C  24  54.519   4.083  -7.541
  255   1H5*    A  25          1H5*        A  25  55.197   0.378 -12.254
  256   2H5*    A  25          2H5*        A  25  54.216   0.073 -13.702
  257    H4*    A  25           H4*        A  25  54.015  -1.519 -11.603
  258    H3*    A  25           H3*        A  25  51.817  -0.425 -13.370
  259    H2*    A  25           H2*        A  25  50.172  -1.322 -12.006
  260   2HO*    A  25          2HO*        A  25  51.813  -3.118 -10.625
  261    H1*    A  25           H1*        A  25  51.647  -1.437  -9.576
  262    H8     A  25           H8         A  25  51.373   2.037 -10.746
  263   1H6     A  25          1H6         A  25  45.731   2.203  -8.225
  264   2H6     A  25          2H6         A  25  47.024   3.178  -8.892
  265    H2     A  25           H2         A  25  47.064  -2.069  -8.446
  266   1H5*    G  26          1H5*        G  26  52.527  -5.477 -13.545
  267   2H5*    G  26          2H5*        G  26  51.230  -6.017 -14.628
  268    H4*    G  26           H4*        G  26  51.520  -7.201 -12.319
  269    H3*    G  26           H3*        G  26  48.924  -6.230 -13.555
  270    H2*    G  26           H2*        G  26  47.740  -7.042 -11.646
  271   2HO*    G  26          2HO*        G  26  49.809  -8.058 -10.188
  272    H1*    G  26           H1*        G  26  49.399  -6.079  -9.765
  273    H8     G  26           H8         G  26  49.645  -3.414 -12.164
  274    H1     G  26           H1         G  26  43.799  -3.474  -9.703
  275   1H2     G  26          1H2         G  26  43.426  -5.386  -8.650
  276   2H2     G  26          2H2         G  26  44.627  -6.656  -8.550
  277   1H5*    C  27          1H5*        C  27  48.414  -9.755 -12.116
  278   2H5*    C  27          2H5*        C  27  47.772 -11.107 -13.070
  279    H4*    C  27           H4*        C  27  46.435 -10.990 -11.094
  280    H3*    C  27           H3*        C  27  45.114  -9.838 -13.571
  281    H2*    C  27           H2*        C  27  43.165  -9.330 -12.263
  282   2HO*    C  27          2HO*        C  27  44.235 -11.282 -10.628
  283    H1*    C  27           H1*        C  27  44.435  -8.179 -10.218
  284   1H4     C  27          1H4         C  27  43.830  -3.312 -14.234
  285   2H4     C  27          2H4         C  27  45.302  -3.792 -15.044
  286    H5     C  27           H5         C  27  46.479  -5.827 -14.539
  287    H6     C  27           H6         C  27  46.517  -7.838 -13.170
  288   1H5*    C  28          1H5*        C  28  42.475 -11.740 -11.899
  289   2H5*    C  28          2H5*        C  28  41.344 -12.807 -12.754
  290    H4*    C  28           H4*        C  28  40.050 -11.007 -11.827
  291    H3*    C  28           H3*        C  28  40.574 -10.674 -14.815
  292    H2*    C  28           H2*        C  28  39.071  -8.819 -14.730
  293   2HO*    C  28          2HO*        C  28  38.371  -9.828 -12.149
  294    H1*    C  28           H1*        C  28  40.024  -7.789 -12.363
  295   1H4     C  28          1H4         C  28  42.886  -4.593 -17.057
  296   2H4     C  28          2H4         C  28  44.123  -5.826 -17.144
  297    H5     C  28           H5         C  28  44.034  -7.877 -15.860
  298    H6     C  28           H6         C  28  42.741  -9.178 -14.275
  299   1H5*    C  29          1H5*        C  29  36.419 -10.909 -13.643
  300   2H5*    C  29          2H5*        C  29  35.572 -12.234 -14.466
  301    H4*    C  29           H4*        C  29  34.030 -10.394 -14.319
  302    H3*    C  29           H3*        C  29  35.226 -10.951 -17.038
  303    H2*    C  29           H2*        C  29  34.160  -9.068 -17.982
  304   2HO*    C  29          2HO*        C  29  32.693  -8.032 -16.023
  305    H1*    C  29           H1*        C  29  34.533  -7.292 -15.980
  306   1H4     C  29          1H4         C  29  39.543  -6.325 -19.739
  307   2H4     C  29          2H4         C  29  40.199  -7.901 -19.363
  308    H5     C  29           H5         C  29  39.075  -9.496 -17.961
  309    H6     C  29           H6         C  29  37.089  -9.918 -16.582
  310   1H5*    C  30          1H5*        C  30  31.268  -9.371 -17.588
  311   2H5*    C  30          2H5*        C  30  30.725  -9.898 -19.193
  312    H4*    C  30           H4*        C  30  31.270  -7.385 -18.853
  313    H3*    C  30           H3*        C  30  32.457  -9.067 -21.082
  314    H2*    C  30           H2*        C  30  33.370  -7.097 -21.959
  315   2HO*    C  30          2HO*        C  30  32.635  -5.004 -21.096
  316    H1*    C  30           H1*        C  30  33.858  -5.876 -19.470
  317   1H4     C  30          1H4         C  30  39.511  -7.625 -21.801
  318   2H4     C  30          2H4         C  30  39.132  -9.311 -21.531
  319    H5     C  30           H5         C  30  36.991 -10.063 -20.716
  320    H6     C  30           H6         C  30  34.765  -9.384 -20.000
  321    H3T    C  30           H3T        C  30  30.064  -7.793 -20.528
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1  41.308   3.369 -23.399
    2   2H5*    G   1          2H5*        G   1  40.971   4.637 -22.203
    3    H4*    G   1           H4*        G   1  38.840   3.927 -22.979
    4    H3*    G   1           H3*        G   1  39.661   2.943 -20.263
    5    H2*    G   1           H2*        G   1  37.839   1.415 -20.087
    6   2HO*    G   1          2HO*        G   1  36.733   2.834 -22.316
    7    H1*    G   1           H1*        G   1  37.846   0.400 -22.577
    8    H8     G   1           H8         G   1  41.358   1.351 -21.382
    9    H1     G   1           H1         G   1  39.573  -4.538 -19.707
   10   1H2     G   1          1H2         G   1  37.428  -4.843 -20.181
   11   2H2     G   1          2H2         G   1  36.439  -3.598 -20.910
   12    H5T    G   1           H5T        G   1  42.548   2.913 -21.653
   13   1H5*    G   2          1H5*        G   2  36.447   3.422 -19.374
   14   2H5*    G   2          2H5*        G   2  35.768   4.621 -18.254
   15    H4*    G   2           H4*        G   2  35.290   2.746 -17.026
   16    H3*    G   2           H3*        G   2  38.141   3.520 -16.402
   17    H2*    G   2           H2*        G   2  38.557   1.502 -15.358
   18   2HO*    G   2          2HO*        G   2  36.569   0.382 -14.389
   19    H1*    G   2           H1*        G   2  36.328   0.007 -16.441
   20    H8     G   2           H8         G   2  39.309   1.133 -18.486
   21    H1     G   2           H1         G   2  40.178  -4.509 -15.656
   22   1H2     G   2          1H2         G   2  38.443  -4.967 -14.351
   23   2H2     G   2          2H2         G   2  37.083  -3.882 -14.180
   24   1H5*    G   3          1H5*        G   3  35.112   3.333 -12.740
   25   2H5*    G   3          2H5*        G   3  35.838   4.007 -11.267
   26    H4*    G   3           H4*        G   3  34.901   1.643 -11.061
   27    H3*    G   3           H3*        G   3  37.738   2.434 -10.347
   28    H2*    G   3           H2*        G   3  38.295   0.226  -9.859
   29   2HO*    G   3          2HO*        G   3  36.251  -1.289  -9.777
   30    H1*    G   3           H1*        G   3  36.684  -1.081 -11.690
   31    H8     G   3           H8         G   3  38.737   1.694 -13.193
   32    H1     G   3           H1         G   3  42.016  -3.718 -12.417
   33   1H2     G   3          1H2         G   3  40.843  -5.144 -11.188
   34   2H2     G   3          2H2         G   3  39.255  -4.756 -10.563
   35   1H5*    C   4          1H5*        C   4  35.847  -0.069  -7.938
   36   2H5*    C   4          2H5*        C   4  35.510   0.357  -6.249
   37    H4*    C   4           H4*        C   4  36.094  -1.912  -6.112
   38    H3*    C   4           H3*        C   4  38.489  -0.130  -5.566
   39    H2*    C   4           H2*        C   4  39.829  -2.072  -5.237
   40   2HO*    C   4          2HO*        C   4  37.337  -3.465  -5.184
   41    H1*    C   4           H1*        C   4  38.937  -3.483  -7.368
   42   1H4     C   4          1H4         C   4  43.896  -0.158  -9.600
   43   2H4     C   4          2H4         C   4  42.915   1.279  -9.660
   44    H5     C   4           H5         C   4  40.688   1.384  -8.857
   45    H6     C   4           H6         C   4  38.850   0.158  -7.817
   46   1H5*    U   5          1H5*        U   5  38.434  -3.056  -2.186
   47   2H5*    U   5          2H5*        U   5  39.599  -2.405  -1.016
   48    H4*    U   5           H4*        U   5  40.218  -4.543  -2.408
   49    H3*    U   5           H3*        U   5  42.005  -2.124  -1.921
   50    H2*    U   5           H2*        U   5  43.749  -3.331  -3.033
   51   2HO*    U   5          2HO*        U   5  42.350  -5.622  -3.621
   52    H1*    U   5           H1*        U   5  42.226  -4.205  -5.108
   53    H3     U   5           H3         U   5  44.869  -0.955  -6.834
   54    H5     U   5           H5         U   5  41.861   1.140  -4.795
   55    H6     U   5           H6         U   5  41.077  -0.966  -3.897
   56   1H5*    G   6          1H5*        G   6  43.644  -5.526  -1.261
   57   2H5*    G   6          2H5*        G   6  44.913  -5.862  -0.067
   58    H4*    G   6           H4*        G   6  45.667  -6.231  -2.421
   59    H3*    G   6           H3*        G   6  46.978  -4.083  -0.710
   60    H2*    G   6           H2*        G   6  48.502  -3.682  -2.484
   61   2HO*    G   6          2HO*        G   6  47.531  -6.054  -3.748
   62    H1*    G   6           H1*        G   6  46.704  -3.960  -4.562
   63    H8     G   6           H8         G   6  44.921  -1.817  -2.161
   64    H1     G   6           H1         G   6  49.880   1.289  -4.647
   65   1H2     G   6          1H2         G   6  51.178  -0.122  -5.767
   66   2H2     G   6          2H2         G   6  50.844  -1.836  -5.864
   67   1H5*    U   7          1H5*        U   7  49.650  -5.823  -2.048
   68   2H5*    U   7          2H5*        U   7  50.795  -6.943  -1.284
   69    H4*    U   7           H4*        U   7  52.385  -5.596  -2.189
   70    H3*    U   7           H3*        U   7  51.405  -4.012   0.211
   71    H2*    U   7           H2*        U   7  52.791  -2.220  -0.441
   72   2HO*    U   7          2HO*        U   7  54.729  -2.788  -1.078
   73    H1*    U   7           H1*        U   7  52.417  -2.403  -3.153
   74    H3     U   7           H3         U   7  50.392   1.502  -2.218
   75    H5     U   7           H5         U   7  48.103  -1.286  -0.114
   76    H6     U   7           H6         U   7  49.654  -3.016  -0.787
   77   1H5*    U   8          1H5*        U   8  56.241  -4.325   0.383
   78   2H5*    U   8          2H5*        U   8  56.454  -4.312   2.144
   79    H4*    U   8           H4*        U   8  57.873  -2.624   0.936
   80    H3*    U   8           H3*        U   8  55.795  -1.738   2.977
   81    H2*    U   8           H2*        U   8  56.603   0.493   2.706
   82   2HO*    U   8          2HO*        U   8  58.484   0.672   1.092
   83    H1*    U   8           H1*        U   8  56.720   0.452  -0.012
   84    H3     U   8           H3         U   8  53.115   2.991   1.094
   85    H5     U   8           H5         U   8  51.781  -0.990   1.475
   86    H6     U   8           H6         U   8  54.077  -1.717   1.154
   87   1H5*    U   9          1H5*        U   9  59.294   0.634   3.203
   88   2H5*    U   9          2H5*        U   9  59.541   1.115   4.893
   89    H4*    U   9           H4*        U   9  59.085   2.978   3.140
   90    H3*    U   9           H3*        U   9  57.571   2.699   5.770
   91    H2*    U   9           H2*        U   9  56.494   4.736   5.255
   92   2HO*    U   9          2HO*        U   9  58.816   5.151   3.731
   93    H1*    U   9           H1*        U   9  56.395   4.347   2.470
   94    H3     U   9           H3         U   9  52.171   5.027   4.143
   95    H5     U   9           H5         U   9  53.024   0.941   4.762
   96    H6     U   9           H6         U   9  55.311   1.390   4.138
   97   1H5*    U  10          1H5*        U  10  60.324   6.348   6.979
   98   2H5*    U  10          2H5*        U  10  60.109   6.287   8.740
   99    H4*    U  10           H4*        U  10  59.130   8.321   7.447
  100    H3*    U  10           H3*        U  10  57.526   6.642   9.427
  101    H2*    U  10           H2*        U  10  55.803   8.256   9.178
  102   2HO*    U  10          2HO*        U  10  57.864   9.884   8.069
  103    H1*    U  10           H1*        U  10  56.169   8.663   6.448
  104    H3     U  10           H3         U  10  51.976   7.069   7.225
  105    H5     U  10           H5         U  10  54.465   3.685   7.542
  106    H6     U  10           H6         U  10  56.384   5.166   7.370
  107   1H5*    U  11          1H5*        U  11  57.426  11.052  10.978
  108   2H5*    U  11          2H5*        U  11  57.346  10.775  12.729
  109    H4*    U  11           H4*        U  11  55.469  12.192  11.664
  110    H3*    U  11           H3*        U  11  55.016   9.791  13.474
  111    H2*    U  11           H2*        U  11  52.676  10.192  13.333
  112   2HO*    U  11          2HO*        U  11  53.457  12.741  12.325
  113    H1*    U  11           H1*        U  11  52.575  10.801  10.673
  114    H3     U  11           H3         U  11  50.459   6.806  11.325
  115    H5     U  11           H5         U  11  54.562   5.866  11.204
  116    H6     U  11           H6         U  11  55.040   8.238  11.165
  117   1H5*    C  12          1H5*        C  12  53.053  12.965  15.442
  118   2H5*    C  12          2H5*        C  12  53.250  12.932  17.206
  119    H4*    C  12           H4*        C  12  50.886  12.741  16.677
  120    H3*    C  12           H3*        C  12  52.220  10.182  17.652
  121    H2*    C  12           H2*        C  12  50.086   9.154  17.630
  122   2HO*    C  12          2HO*        C  12  48.363  10.273  18.144
  123    H1*    C  12           H1*        C  12  49.157  10.367  15.307
  124   1H4     C  12          1H4         C  12  50.964   4.424  13.940
  125   2H4     C  12          2H4         C  12  52.643   4.892  13.978
  126    H5     C  12           H5         C  12  53.378   7.097  14.561
  127    H6     C  12           H6         C  12  52.665   9.323  15.251
  128   1H5*    U  13          1H5*        U  13  50.952   7.948  20.985
  129   2H5*    U  13          2H5*        U  13  51.248   8.219  19.256
  130    H4*    U  13           H4*        U  13  48.385   8.135  19.762
  131    H3*    U  13           H3*        U  13  50.073   5.869  20.901
  132    H2*    U  13           H2*        U  13  48.466   4.349  20.083
  133   2HO*    U  13          2HO*        U  13  46.533   6.228  19.378
  134    H1*    U  13           H1*        U  13  47.706   5.853  17.811
  135    H3     U  13           H3         U  13  49.016   1.388  17.215
  136    H5     U  13           H5         U  13  52.347   3.854  16.426
  137    H6     U  13           H6         U  13  51.121   5.708  17.365
  138   1H5*    C  14          1H5*        C  14  46.373   4.849  21.407
  139   2H5*    C  14          2H5*        C  14  45.956   4.383  23.067
  140    H4*    C  14           H4*        C  14  45.368   2.597  21.498
  141    H3*    C  14           H3*        C  14  47.620   2.121  23.477
  142    H2*    C  14           H2*        C  14  47.926  -0.061  22.628
  143   2HO*    C  14          2HO*        C  14  45.322   0.314  21.526
  144    H1*    C  14           H1*        C  14  47.542   0.508  19.961
  145   1H4     C  14          1H4         C  14  53.835   0.470  20.932
  146   2H4     C  14          2H4         C  14  53.755   2.094  21.578
  147    H5     C  14           H5         C  14  51.679   3.278  21.926
  148    H6     C  14           H6         C  14  49.237   3.145  21.721
  149   1H5*    G  15          1H5*        G  15  46.877  -0.590  27.403
  150   2H5*    G  15          2H5*        G  15  47.825   0.479  26.350
  151    H4*    G  15           H4*        G  15  47.049  -2.271  25.383
  152    H3*    G  15           H3*        G  15  48.352  -2.215  27.758
  153    H2*    G  15           H2*        G  15  49.942  -0.518  27.076
  154   2HO*    G  15          2HO*        G  15  51.859  -2.081  26.382
  155    H1*    G  15           H1*        G  15  50.487  -2.150  24.590
  156    H8     G  15           H8         G  15  52.302  -0.824  23.405
  157    H1     G  15           H1         G  15  50.359   4.796  25.681
  158   1H2     G  15          1H2         G  15  48.583   4.512  26.976
  159   2H2     G  15          2H2         G  15  47.884   2.938  27.274
  160   1H5*    C  16          1H5*        C  16  46.074  -4.602  23.002
  161   2H5*    C  16          2H5*        C  16  47.536  -5.508  23.443
  162    H4*    C  16           H4*        C  16  47.320  -2.897  21.920
  163    H3*    C  16           H3*        C  16  48.006  -5.687  21.296
  164    H2*    C  16           H2*        C  16  50.299  -5.370  21.232
  165   2HO*    C  16          2HO*        C  16  50.413  -5.003  19.134
  166    H1*    C  16           H1*        C  16  50.095  -2.374  21.220
  167   1H4     C  16          1H4         C  16  55.927  -3.395  23.589
  168   2H4     C  16          2H4         C  16  55.299  -4.561  24.731
  169    H5     C  16           H5         C  16  52.972  -5.231  24.798
  170    H6     C  16           H6         C  16  50.771  -4.893  23.805
  171   1H5*    U  17          1H5*        U  17  46.899  -4.395  16.254
  172   2H5*    U  17          2H5*        U  17  48.386  -5.125  15.618
  173    H4*    U  17           H4*        U  17  47.769  -2.290  16.241
  174    H3*    U  17           H3*        U  17  49.254  -3.839  14.203
  175    H2*    U  17           H2*        U  17  51.327  -2.964  14.714
  176   2HO*    U  17          2HO*        U  17  50.892  -0.333  14.757
  177    H1*    U  17           H1*        U  17  50.262  -0.867  16.552
  178    H3     U  17           H3         U  17  54.910  -0.885  16.654
  179    H5     U  17           H5         U  17  53.605  -4.036  19.115
  180    H6     U  17           H6         U  17  51.353  -3.716  18.217
  181   1H5*    G  18          1H5*        G  18  45.028  -2.907  13.279
  182   2H5*    G  18          2H5*        G  18  44.612  -2.074  11.767
  183    H4*    G  18           H4*        G  18  43.092  -1.464  13.639
  184    H3*    G  18           H3*        G  18  44.707   0.511  12.098
  185    H2*    G  18           H2*        G  18  44.541   2.274  13.641
  186   2HO*    G  18          2HO*        G  18  42.773   2.585  14.844
  187    H1*    G  18           H1*        G  18  44.594   0.944  16.018
  188    H8     G  18           H8         G  18  47.154  -1.025  14.602
  189    H1     G  18           H1         G  18  49.171   4.998  14.629
  190   1H2     G  18          1H2         G  18  47.461   6.379  14.956
  191   2H2     G  18          2H2         G  18  45.820   5.810  15.168
  192   1H5*    A  19          1H5*        A  19  41.728   2.764  12.761
  193   2H5*    A  19          2H5*        A  19  40.423   2.748  11.558
  194    H4*    A  19           H4*        A  19  40.547   5.016  11.840
  195    H3*    A  19           H3*        A  19  42.667   4.260   9.823
  196    H2*    A  19           H2*        A  19  43.502   6.490   9.792
  197   2HO*    A  19          2HO*        A  19  42.101   7.833  11.553
  198    H1*    A  19           H1*        A  19  43.668   6.810  12.437
  199    H8     A  19           H8         A  19  43.992   3.136  11.542
  200   1H6     A  19          1H6         A  19  50.044   4.099  11.050
  201   2H6     A  19          2H6         A  19  48.782   2.887  11.087
  202    H2     A  19           H2         A  19  48.023   8.085  11.500
  203   1H5*    C  20          1H5*        C  20  41.439   7.839   8.460
  204   2H5*    C  20          2H5*        C  20  41.748   7.981   6.719
  205    H4*    C  20           H4*        C  20  43.276   9.296   8.370
  206    H3*    C  20           H3*        C  20  44.312   7.510   6.130
  207    H2*    C  20           H2*        C  20  46.469   8.354   6.636
  208   2HO*    C  20          2HO*        C  20  45.728  10.585   6.741
  209    H1*    C  20           H1*        C  20  46.048   8.502   9.411
  210   1H4     C  20          1H4         C  20  49.968   3.666   8.059
  211   2H4     C  20          2H4         C  20  48.599   2.580   8.192
  212    H5     C  20           H5         C  20  46.313   3.360   8.436
  213    H6     C  20           H6         C  20  44.866   5.339   8.589
  214   1H5*    U  21          1H5*        U  21  45.546  11.218   4.491
  215   2H5*    U  21          2H5*        U  21  45.689  11.059   2.729
  216    H4*    U  21           H4*        U  21  47.877  11.087   4.130
  217    H3*    U  21           H3*        U  21  47.118   9.155   1.937
  218    H2*    U  21           H2*        U  21  48.822   7.703   2.469
  219   2HO*    U  21          2HO*        U  21  50.177  10.065   2.424
  220    H1*    U  21           H1*        U  21  49.528   8.856   5.059
  221    H3     U  21           H3         U  21  50.366   4.373   5.204
  222    H5     U  21           H5         U  21  46.177   4.725   5.368
  223    H6     U  21           H6         U  21  46.430   7.092   4.864
  224   1H5*    U  22          1H5*        U  22  51.350  11.306   0.718
  225   2H5*    U  22          2H5*        U  22  51.414  10.955  -1.020
  226    H4*    U  22           H4*        U  22  53.414  10.199   0.451
  227    H3*    U  22           H3*        U  22  51.932   8.477  -1.564
  228    H2*    U  22           H2*        U  22  53.401   6.676  -1.068
  229   2HO*    U  22          2HO*        U  22  55.043   8.758  -0.176
  230    H1*    U  22           H1*        U  22  53.475   6.991   1.641
  231    H3     U  22           H3         U  22  51.111   3.222   0.355
  232    H5     U  22           H5         U  22  48.327   6.366   0.634
  233    H6     U  22           H6         U  22  50.197   7.889   0.848
  234   1H5*    U  23          1H5*        U  23  56.023   8.121  -2.506
  235   2H5*    U  23          2H5*        U  23  56.367   8.837  -4.093
  236    H4*    U  23           H4*        U  23  57.521   6.817  -4.233
  237    H3*    U  23           H3*        U  23  54.738   6.538  -5.387
  238    H2*    U  23           H2*        U  23  55.048   4.220  -5.713
  239   2HO*    U  23          2HO*        U  23  56.944   3.747  -6.533
  240    H1*    U  23           H1*        U  23  56.401   3.625  -3.438
  241    H3     U  23           H3         U  23  52.434   1.650  -2.619
  242    H5     U  23           H5         U  23  51.559   5.772  -2.410
  243    H6     U  23           H6         U  23  53.819   6.227  -3.159
  244   1H5*    C  24          1H5*        C  24  57.327   4.657  -8.393
  245   2H5*    C  24          2H5*        C  24  56.614   4.986  -9.985
  246    H4*    C  24           H4*        C  24  56.734   2.546  -9.469
  247    H3*    C  24           H3*        C  24  54.045   3.907  -9.855
  248    H2*    C  24           H2*        C  24  52.967   1.820  -9.567
  249   2HO*    C  24          2HO*        C  24  55.155   0.174  -9.377
  250    H1*    C  24           H1*        C  24  54.612   0.820  -7.581
  251   1H4     C  24          1H4         C  24  49.430   3.005  -4.613
  252   2H4     C  24          2H4         C  24  49.935   4.657  -4.883
  253    H5     C  24           H5         C  24  51.889   5.250  -6.155
  254    H6     C  24           H6         C  24  53.787   4.388  -7.443
  255   1H5*    A  25          1H5*        A  25  54.653   0.328 -11.858
  256   2H5*    A  25          2H5*        A  25  53.664  -0.033 -13.286
  257    H4*    A  25           H4*        A  25  53.430  -1.514 -11.118
  258    H3*    A  25           H3*        A  25  51.237  -0.441 -12.906
  259    H2*    A  25           H2*        A  25  49.592  -1.251 -11.486
  260   2HO*    A  25          2HO*        A  25  50.536  -2.995  -9.858
  261    H1*    A  25           H1*        A  25  51.103  -1.291  -9.073
  262    H8     A  25           H8         A  25  50.851   2.133 -10.423
  263   1H6     A  25          1H6         A  25  45.298   2.538  -7.758
  264   2H6     A  25          2H6         A  25  46.585   3.444  -8.523
  265    H2     A  25           H2         A  25  46.565  -1.776  -7.755
  266   1H5*    G  26          1H5*        G  26  51.893  -5.458 -12.830
  267   2H5*    G  26          2H5*        G  26  50.626  -6.069 -13.910
  268    H4*    G  26           H4*        G  26  50.883  -7.164 -11.567
  269    H3*    G  26           H3*        G  26  48.308  -6.243 -12.866
  270    H2*    G  26           H2*        G  26  47.080  -6.912 -10.941
  271   2HO*    G  26          2HO*        G  26  49.397  -8.089  -9.792
  272    H1*    G  26           H1*        G  26  48.781  -5.977  -9.046
  273    H8     G  26           H8         G  26  49.033  -3.360 -11.506
  274    H1     G  26           H1         G  26  43.239  -3.232  -8.937
  275   1H2     G  26          1H2         G  26  42.850  -5.100  -7.817
  276   2H2     G  26          2H2         G  26  44.026  -6.393  -7.700
  277   1H5*    C  27          1H5*        C  27  47.792  -9.572 -11.428
  278   2H5*    C  27          2H5*        C  27  47.501 -11.127 -12.234
  279    H4*    C  27           H4*        C  27  45.811 -11.142 -10.644
  280    H3*    C  27           H3*        C  27  44.755  -9.851 -13.181
  281    H2*    C  27           H2*        C  27  42.649  -9.492 -12.077
  282   2HO*    C  27          2HO*        C  27  42.018 -10.779 -10.513
  283    H1*    C  27           H1*        C  27  43.641  -8.460  -9.831
  284   1H4     C  27          1H4         C  27  43.231  -3.382 -13.617
  285   2H4     C  27          2H4         C  27  44.777  -3.777 -14.332
  286    H5     C  27           H5         C  27  45.982  -5.795 -13.832
  287    H6     C  27           H6         C  27  45.992  -7.861 -12.542
  288   1H5*    C  28          1H5*        C  28  42.170 -11.992 -11.987
  289   2H5*    C  28          2H5*        C  28  41.179 -13.172 -12.869
  290    H4*    C  28           H4*        C  28  39.635 -11.526 -12.166
  291    H3*    C  28           H3*        C  28  40.537 -11.042 -15.034
  292    H2*    C  28           H2*        C  28  39.001  -9.229 -15.130
  293   2HO*    C  28          2HO*        C  28  37.931 -10.287 -12.696
  294    H1*    C  28           H1*        C  28  39.505  -8.241 -12.607
  295   1H4     C  28          1H4         C  28  42.969  -4.823 -16.720
  296   2H4     C  28          2H4         C  28  44.228  -6.037 -16.677
  297    H5     C  28           H5         C  28  44.007  -8.124 -15.483
  298    H6     C  28           H6         C  28  42.544  -9.500 -14.123
  299   1H5*    C  29          1H5*        C  29  36.496 -11.284 -15.645
  300   2H5*    C  29          2H5*        C  29  36.043 -12.789 -16.471
  301    H4*    C  29           H4*        C  29  34.938 -11.282 -17.822
  302    H3*    C  29           H3*        C  29  37.782 -11.499 -18.874
  303    H2*    C  29           H2*        C  29  37.265  -9.886 -20.517
  304   2HO*    C  29          2HO*        C  29  34.671 -10.812 -20.067
  305    H1*    C  29           H1*        C  29  35.633  -8.279 -18.984
  306   1H4     C  29          1H4         C  29  41.157  -5.177 -19.020
  307   2H4     C  29          2H4         C  29  41.996  -6.541 -18.316
  308    H5     C  29           H5         C  29  40.921  -8.629 -17.808
  309    H6     C  29           H6         C  29  38.806  -9.867 -17.842
  310   1H5*    C  30          1H5*        C  30  34.722 -11.193 -22.102
  311   2H5*    C  30          2H5*        C  30  35.519 -11.653 -23.620
  312    H4*    C  30           H4*        C  30  34.805  -9.173 -23.308
  313    H3*    C  30           H3*        C  30  37.600 -10.031 -24.127
  314    H2*    C  30           H2*        C  30  38.090  -7.765 -24.491
  315   2HO*    C  30          2HO*        C  30  35.480  -6.837 -24.083
  316    H1*    C  30           H1*        C  30  36.572  -6.803 -22.337
  317   1H4     C  30          1H4         C  30  42.667  -6.444 -20.569
  318   2H4     C  30          2H4         C  30  42.811  -8.187 -20.569
  319    H5     C  30           H5         C  30  41.020  -9.657 -21.236
  320    H6     C  30           H6         C  30  38.720  -9.778 -22.049
  321    H3T    C  30           H3T        C  30  35.384 -10.321 -25.331
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1  40.907   4.492 -22.224
    2   2H5*    G   1          2H5*        G   1  40.548   5.844 -21.132
    3    H4*    G   1           H4*        G   1  38.402   5.199 -21.703
    4    H3*    G   1           H3*        G   1  39.303   3.820 -19.189
    5    H2*    G   1           H2*        G   1  37.475   2.290 -19.183
    6   2HO*    G   1          2HO*        G   1  36.313   4.271 -20.818
    7    H1*    G   1           H1*        G   1  37.392   1.662 -21.798
    8    H8     G   1           H8         G   1  40.969   2.362 -20.715
    9    H1     G   1           H1         G   1  39.037  -3.580 -19.450
   10   1H2     G   1          1H2         G   1  36.857  -3.755 -19.820
   11   2H2     G   1          2H2         G   1  35.885  -2.412 -20.375
   12    H5T    G   1           H5T        G   1  42.039   4.512 -20.160
   13   1H5*    G   2          1H5*        G   2  36.213   3.968 -18.214
   14   2H5*    G   2          2H5*        G   2  35.478   4.941 -16.923
   15    H4*    G   2           H4*        G   2  35.100   2.875 -16.006
   16    H3*    G   2           H3*        G   2  37.912   3.676 -15.256
   17    H2*    G   2           H2*        G   2  38.441   1.536 -14.593
   18   2HO*    G   2          2HO*        G   2  36.318   1.921 -13.144
   19    H1*    G   2           H1*        G   2  36.173   0.179 -15.812
   20    H8     G   2           H8         G   2  39.066   1.488 -17.812
   21    H1     G   2           H1         G   2  40.122  -4.337 -15.449
   22   1H2     G   2          1H2         G   2  38.434  -4.914 -14.120
   23   2H2     G   2          2H2         G   2  37.071  -3.862 -13.823
   24   1H5*    G   3          1H5*        G   3  35.055   2.724 -11.460
   25   2H5*    G   3          2H5*        G   3  35.967   3.160 -10.002
   26    H4*    G   3           H4*        G   3  35.071   0.741 -10.175
   27    H3*    G   3           H3*        G   3  37.918   1.533  -9.488
   28    H2*    G   3           H2*        G   3  38.539  -0.714  -9.362
   29   2HO*    G   3          2HO*        G   3  35.758  -1.343  -9.176
   30    H1*    G   3           H1*        G   3  36.896  -1.741 -11.337
   31    H8     G   3           H8         G   3  38.777   1.305 -12.455
   32    H1     G   3           H1         G   3  42.314  -3.993 -12.614
   33   1H2     G   3          1H2         G   3  41.265  -5.635 -11.562
   34   2H2     G   3          2H2         G   3  39.693  -5.424 -10.824
   35   1H5*    C   4          1H5*        C   4  36.196  -1.294  -7.430
   36   2H5*    C   4          2H5*        C   4  35.822  -1.155  -5.700
   37    H4*    C   4           H4*        C   4  36.443  -3.401  -5.892
   38    H3*    C   4           H3*        C   4  38.800  -1.686  -5.070
   39    H2*    C   4           H2*        C   4  40.234  -3.574  -5.123
   40   2HO*    C   4          2HO*        C   4  39.208  -5.724  -5.496
   41    H1*    C   4           H1*        C   4  39.307  -4.712  -7.415
   42   1H4     C   4          1H4         C   4  44.106  -0.978  -9.298
   43   2H4     C   4          2H4         C   4  43.092   0.429  -9.131
   44    H5     C   4           H5         C   4  40.887   0.366  -8.257
   45    H6     C   4           H6         C   4  39.115  -1.047  -7.348
   46   1H5*    U   5          1H5*        U   5  39.152  -5.141  -2.209
   47   2H5*    U   5          2H5*        U   5  40.291  -4.481  -1.019
   48    H4*    U   5           H4*        U   5  41.096  -6.336  -2.694
   49    H3*    U   5           H3*        U   5  42.595  -3.764  -2.037
   50    H2*    U   5           H2*        U   5  44.404  -4.664  -3.324
   51   2HO*    U   5          2HO*        U   5  44.251  -6.853  -4.136
   52    H1*    U   5           H1*        U   5  42.850  -5.551  -5.389
   53    H3     U   5           H3         U   5  45.069  -1.991  -7.067
   54    H5     U   5           H5         U   5  42.168  -0.275  -4.563
   55    H6     U   5           H6         U   5  41.583  -2.504  -3.810
   56   1H5*    G   6          1H5*        G   6  44.701  -6.974  -1.575
   57   2H5*    G   6          2H5*        G   6  46.017  -7.182  -0.403
   58    H4*    G   6           H4*        G   6  46.810  -7.344  -2.755
   59    H3*    G   6           H3*        G   6  47.782  -5.023  -1.037
   60    H2*    G   6           H2*        G   6  49.251  -4.456  -2.823
   61   2HO*    G   6          2HO*        G   6  48.694  -7.104  -3.692
   62    H1*    G   6           H1*        G   6  47.459  -4.924  -4.862
   63    H8     G   6           H8         G   6  45.451  -3.091  -2.383
   64    H1     G   6           H1         G   6  49.929   0.684  -4.878
   65   1H2     G   6          1H2         G   6  51.369  -0.527  -6.047
   66   2H2     G   6          2H2         G   6  51.250  -2.266  -6.181
   67   1H5*    U   7          1H5*        U   7  50.683  -6.457  -2.345
   68   2H5*    U   7          2H5*        U   7  51.946  -7.412  -1.544
   69    H4*    U   7           H4*        U   7  53.363  -5.919  -2.517
   70    H3*    U   7           H3*        U   7  52.245  -4.416  -0.125
   71    H2*    U   7           H2*        U   7  53.398  -2.484  -0.826
   72   2HO*    U   7          2HO*        U   7  54.778  -3.498  -2.969
   73    H1*    U   7           H1*        U   7  52.994  -2.736  -3.519
   74    H3     U   7           H3         U   7  50.553   0.902  -2.513
   75    H5     U   7           H5         U   7  48.608  -2.157  -0.433
   76    H6     U   7           H6         U   7  50.346  -3.686  -1.136
   77   1H5*    U   8          1H5*        U   8  57.064  -4.102   0.003
   78   2H5*    U   8          2H5*        U   8  57.292  -4.073   1.763
   79    H4*    U   8           H4*        U   8  58.462  -2.200   0.570
   80    H3*    U   8           H3*        U   8  56.268  -1.591   2.595
   81    H2*    U   8           H2*        U   8  56.787   0.725   2.325
   82   2HO*    U   8          2HO*        U   8  58.805   0.425   0.455
   83    H1*    U   8           H1*        U   8  56.893   0.691  -0.391
   84    H3     U   8           H3         U   8  52.991   2.705   0.813
   85    H5     U   8           H5         U   8  52.223  -1.428   1.141
   86    H6     U   8           H6         U   8  54.590  -1.826   0.768
   87   1H5*    U   9          1H5*        U   9  59.475   1.101   2.842
   88   2H5*    U   9          2H5*        U   9  59.724   1.624   4.519
   89    H4*    U   9           H4*        U   9  59.101   3.423   2.750
   90    H3*    U   9           H3*        U   9  57.694   3.076   5.427
   91    H2*    U   9           H2*        U   9  56.408   4.979   4.926
   92   2HO*    U   9          2HO*        U   9  57.799   5.812   2.671
   93    H1*    U   9           H1*        U   9  56.332   4.600   2.123
   94    H3     U   9           H3         U   9  52.098   5.045   3.887
   95    H5     U   9           H5         U   9  53.170   0.996   4.397
   96    H6     U   9           H6         U   9  55.419   1.574   3.739
   97   1H5*    U  10          1H5*        U  10  60.108   6.966   6.324
   98   2H5*    U  10          2H5*        U  10  60.021   7.015   8.096
   99    H4*    U  10           H4*        U  10  58.731   8.814   6.673
  100    H3*    U  10           H3*        U  10  57.583   7.278   9.043
  101    H2*    U  10           H2*        U  10  55.643   8.597   8.814
  102   2HO*    U  10          2HO*        U  10  55.767  10.531   7.379
  103    H1*    U  10           H1*        U  10  55.753   8.855   6.007
  104    H3     U  10           H3         U  10  51.709   7.172   7.319
  105    H5     U  10           H5         U  10  54.352   3.896   7.470
  106    H6     U  10           H6         U  10  56.186   5.445   7.055
  107   1H5*    U  11          1H5*        U  11  56.642  11.567   9.645
  108   2H5*    U  11          2H5*        U  11  57.061  11.846  11.347
  109    H4*    U  11           H4*        U  11  54.741  12.560  10.844
  110    H3*    U  11           H3*        U  11  55.138  10.195  12.719
  111    H2*    U  11           H2*        U  11  52.800  10.180  13.048
  112   2HO*    U  11          2HO*        U  11  52.760  12.787  11.886
  113    H1*    U  11           H1*        U  11  52.062  10.916  10.471
  114    H3     U  11           H3         U  11  50.173   6.859  11.205
  115    H5     U  11           H5         U  11  54.283   6.030  10.817
  116    H6     U  11           H6         U  11  54.692   8.406  10.707
  117   1H5*    C  12          1H5*        C  12  52.997  13.462  15.224
  118   2H5*    C  12          2H5*        C  12  53.355  12.994  16.898
  119    H4*    C  12           H4*        C  12  50.884  13.027  16.255
  120    H3*    C  12           H3*        C  12  52.244  10.535  17.367
  121    H2*    C  12           H2*        C  12  50.113   9.503  17.417
  122   2HO*    C  12          2HO*        C  12  48.977  12.088  16.937
  123    H1*    C  12           H1*        C  12  49.172  10.595  15.034
  124   1H4     C  12          1H4         C  12  50.934   4.580  13.976
  125   2H4     C  12          2H4         C  12  52.615   5.046  13.966
  126    H5     C  12           H5         C  12  53.362   7.277  14.417
  127    H6     C  12           H6         C  12  52.666   9.530  15.004
  128   1H5*    U  13          1H5*        U  13  50.723   8.621  21.047
  129   2H5*    U  13          2H5*        U  13  51.166   8.500  19.332
  130    H4*    U  13           H4*        U  13  48.244   8.580  19.796
  131    H3*    U  13           H3*        U  13  49.977   6.413  21.056
  132    H2*    U  13           H2*        U  13  48.421   4.800  20.344
  133   2HO*    U  13          2HO*        U  13  46.290   5.977  19.460
  134    H1*    U  13           H1*        U  13  47.564   6.134  18.001
  135    H3     U  13           H3         U  13  48.969   1.702  17.546
  136    H5     U  13           H5         U  13  52.278   4.188  16.720
  137    H6     U  13           H6         U  13  51.013   6.054  17.579
  138   1H5*    C  14          1H5*        C  14  46.295   5.485  21.704
  139   2H5*    C  14          2H5*        C  14  45.838   5.151  23.386
  140    H4*    C  14           H4*        C  14  45.196   3.271  21.972
  141    H3*    C  14           H3*        C  14  47.462   2.878  23.946
  142    H2*    C  14           H2*        C  14  47.776   0.660  23.208
  143   2HO*    C  14          2HO*        C  14  45.950  -0.014  21.541
  144    H1*    C  14           H1*        C  14  47.292   1.046  20.519
  145   1H4     C  14          1H4         C  14  53.613   0.968  21.221
  146   2H4     C  14          2H4         C  14  53.581   2.609  21.826
  147    H5     C  14           H5         C  14  51.540   3.832  22.221
  148    H6     C  14           H6         C  14  49.094   3.735  22.123
  149   1H5*    G  15          1H5*        G  15  46.735   0.069  27.864
  150   2H5*    G  15          2H5*        G  15  47.668   1.280  26.962
  151    H4*    G  15           H4*        G  15  47.162  -1.477  25.826
  152    H3*    G  15           H3*        G  15  48.483  -1.272  28.222
  153    H2*    G  15           H2*        G  15  50.017   0.437  27.468
  154   2HO*    G  15          2HO*        G  15  51.236  -2.097  26.913
  155    H1*    G  15           H1*        G  15  50.440  -1.207  24.961
  156    H8     G  15           H8         G  15  52.227   0.083  23.679
  157    H1     G  15           H1         G  15  50.534   5.732  26.085
  158   1H2     G  15          1H2         G  15  48.813   5.480  27.463
  159   2H2     G  15          2H2         G  15  48.088   3.920  27.779
  160   1H5*    C  16          1H5*        C  16  46.290  -4.113  23.588
  161   2H5*    C  16          2H5*        C  16  47.774  -4.912  24.144
  162    H4*    C  16           H4*        C  16  47.488  -2.493  22.344
  163    H3*    C  16           H3*        C  16  48.208  -5.287  21.995
  164    H2*    C  16           H2*        C  16  50.507  -4.997  22.231
  165   2HO*    C  16          2HO*        C  16  51.471  -4.259  20.347
  166    H1*    C  16           H1*        C  16  50.350  -2.043  21.659
  167   1H4     C  16          1H4         C  16  56.000  -2.457  24.569
  168   2H4     C  16          2H4         C  16  55.393  -3.659  25.686
  169    H5     C  16           H5         C  16  53.123  -4.519  25.605
  170    H6     C  16           H6         C  16  50.976  -4.366  24.461
  171   1H5*    U  17          1H5*        U  17  47.085  -4.152  16.918
  172   2H5*    U  17          2H5*        U  17  48.514  -4.872  16.154
  173    H4*    U  17           H4*        U  17  47.918  -2.047  16.774
  174    H3*    U  17           H3*        U  17  49.371  -3.614  14.727
  175    H2*    U  17           H2*        U  17  51.443  -2.699  15.158
  176   2HO*    U  17          2HO*        U  17  50.906  -0.065  15.177
  177    H1*    U  17           H1*        U  17  50.428  -0.586  16.999
  178    H3     U  17           H3         U  17  55.083  -0.641  16.937
  179    H5     U  17           H5         U  17  53.836  -3.733  19.504
  180    H6     U  17           H6         U  17  51.556  -3.402  18.682
  181   1H5*    G  18          1H5*        G  18  45.238  -2.769  13.780
  182   2H5*    G  18          2H5*        G  18  44.788  -2.061  12.215
  183    H4*    G  18           H4*        G  18  43.219  -1.376  13.992
  184    H3*    G  18           H3*        G  18  44.850   0.574  12.440
  185    H2*    G  18           H2*        G  18  44.595   2.388  13.911
  186   2HO*    G  18          2HO*        G  18  42.502   2.610  14.319
  187    H1*    G  18           H1*        G  18  44.613   1.153  16.331
  188    H8     G  18           H8         G  18  47.229  -0.841  15.091
  189    H1     G  18           H1         G  18  49.162   5.205  14.762
  190   1H2     G  18          1H2         G  18  47.427   6.580  14.974
  191   2H2     G  18          2H2         G  18  45.791   6.004  15.201
  192   1H5*    A  19          1H5*        A  19  41.564   2.565  12.806
  193   2H5*    A  19          2H5*        A  19  40.338   2.498  11.523
  194    H4*    A  19           H4*        A  19  40.343   4.768  11.817
  195    H3*    A  19           H3*        A  19  42.646   4.135   9.953
  196    H2*    A  19           H2*        A  19  43.269   6.444   9.943
  197   2HO*    A  19          2HO*        A  19  40.909   6.916  11.497
  198    H1*    A  19           H1*        A  19  43.280   6.749  12.594
  199    H8     A  19           H8         A  19  43.952   3.112  11.817
  200   1H6     A  19          1H6         A  19  49.887   4.586  11.168
  201   2H6     A  19          2H6         A  19  48.739   3.270  11.269
  202    H2     A  19           H2         A  19  47.534   8.390  11.539
  203   1H5*    C  20          1H5*        C  20  41.277   7.245   8.762
  204   2H5*    C  20          2H5*        C  20  41.258   7.713   7.052
  205    H4*    C  20           H4*        C  20  42.904   9.029   8.363
  206    H3*    C  20           H3*        C  20  44.019   7.094   6.287
  207    H2*    C  20           H2*        C  20  46.116   8.151   6.676
  208   2HO*    C  20          2HO*        C  20  44.496  10.275   7.301
  209    H1*    C  20           H1*        C  20  45.721   8.461   9.430
  210   1H4     C  20          1H4         C  20  49.874   3.759   8.297
  211   2H4     C  20          2H4         C  20  48.581   2.616   8.605
  212    H5     C  20           H5         C  20  46.266   3.287   8.904
  213    H6     C  20           H6         C  20  44.713   5.191   8.951
  214   1H5*    U  21          1H5*        U  21  45.051  10.691   4.455
  215   2H5*    U  21          2H5*        U  21  45.204  10.517   2.695
  216    H4*    U  21           H4*        U  21  47.390  10.690   4.068
  217    H3*    U  21           H3*        U  21  46.727   8.630   1.960
  218    H2*    U  21           H2*        U  21  48.525   7.310   2.527
  219   2HO*    U  21          2HO*        U  21  50.447   8.191   2.397
  220    H1*    U  21           H1*        U  21  49.164   8.582   5.072
  221    H3     U  21           H3         U  21  50.215   4.117   5.241
  222    H5     U  21           H5         U  21  46.034   4.347   5.688
  223    H6     U  21           H6         U  21  46.173   6.694   5.080
  224   1H5*    U  22          1H5*        U  22  50.850  10.911   0.625
  225   2H5*    U  22          2H5*        U  22  50.841  10.567  -1.115
  226    H4*    U  22           H4*        U  22  52.954   9.906   0.192
  227    H3*    U  22           H3*        U  22  51.387   8.038  -1.620
  228    H2*    U  22           H2*        U  22  53.004   6.338  -1.197
  229   2HO*    U  22          2HO*        U  22  54.950   6.855  -0.019
  230    H1*    U  22           H1*        U  22  53.216   6.722   1.484
  231    H3     U  22           H3         U  22  50.869   2.875   0.487
  232    H5     U  22           H5         U  22  48.027   5.960   0.819
  233    H6     U  22           H6         U  22  49.869   7.533   0.862
  234   1H5*    U  23          1H5*        U  23  55.307   8.007  -2.740
  235   2H5*    U  23          2H5*        U  23  55.687   8.841  -4.260
  236    H4*    U  23           H4*        U  23  57.030   6.988  -4.517
  237    H3*    U  23           H3*        U  23  54.292   6.360  -5.626
  238    H2*    U  23           H2*        U  23  54.845   4.087  -5.927
  239   2HO*    U  23          2HO*        U  23  56.959   4.696  -6.872
  240    H1*    U  23           H1*        U  23  56.317   3.662  -3.692
  241    H3     U  23           H3         U  23  52.603   1.267  -2.801
  242    H5     U  23           H5         U  23  51.298   5.266  -2.522
  243    H6     U  23           H6         U  23  53.477   5.965  -3.326
  244   1H5*    C  24          1H5*        C  24  56.969   4.785  -9.020
  245   2H5*    C  24          2H5*        C  24  55.932   5.091 -10.427
  246    H4*    C  24           H4*        C  24  56.490   2.645  -9.982
  247    H3*    C  24           H3*        C  24  53.658   3.717 -10.198
  248    H2*    C  24           H2*        C  24  52.804   1.539  -9.857
  249   2HO*    C  24          2HO*        C  24  54.558  -0.234  -9.806
  250    H1*    C  24           H1*        C  24  54.657   0.679  -7.995
  251   1H4     C  24          1H4         C  24  49.462   2.367  -4.710
  252   2H4     C  24          2H4         C  24  49.852   4.056  -4.931
  253    H5     C  24           H5         C  24  51.695   4.826  -6.260
  254    H6     C  24           H6         C  24  53.582   4.151  -7.671
  255   1H5*    A  25          1H5*        A  25  54.536   0.360 -12.190
  256   2H5*    A  25          2H5*        A  25  53.708  -0.164 -13.669
  257    H4*    A  25           H4*        A  25  53.495  -1.693 -11.606
  258    H3*    A  25           H3*        A  25  51.188  -0.649 -13.262
  259    H2*    A  25           H2*        A  25  49.639  -1.615 -11.833
  260   2HO*    A  25          2HO*        A  25  51.667  -3.433 -10.967
  261    H1*    A  25           H1*        A  25  51.266  -1.733  -9.489
  262    H8     A  25           H8         A  25  50.707   1.750 -10.601
  263   1H6     A  25          1H6         A  25  45.305   1.571  -7.618
  264   2H6     A  25          2H6         A  25  46.469   2.617  -8.401
  265    H2     A  25           H2         A  25  46.901  -2.614  -7.919
  266   1H5*    G  26          1H5*        G  26  52.107  -5.642 -13.464
  267   2H5*    G  26          2H5*        G  26  50.888  -6.213 -14.619
  268    H4*    G  26           H4*        G  26  51.143  -7.535 -12.419
  269    H3*    G  26           H3*        G  26  48.530  -6.498 -13.556
  270    H2*    G  26           H2*        G  26  47.360  -7.432 -11.706
  271   2HO*    G  26          2HO*        G  26  48.820  -8.714 -10.149
  272    H1*    G  26           H1*        G  26  49.088  -6.698  -9.753
  273    H8     G  26           H8         G  26  49.222  -3.781 -11.858
  274    H1     G  26           H1         G  26  43.515  -4.120  -9.102
  275   1H2     G  26          1H2         G  26  43.194  -6.138  -8.244
  276   2H2     G  26          2H2         G  26  44.392  -7.410  -8.352
  277   1H5*    C  27          1H5*        C  27  48.101 -10.375 -12.753
  278   2H5*    C  27          2H5*        C  27  47.374 -11.501 -13.916
  279    H4*    C  27           H4*        C  27  46.070 -11.622 -11.900
  280    H3*    C  27           H3*        C  27  44.789 -10.070 -14.173
  281    H2*    C  27           H2*        C  27  42.849  -9.742 -12.790
  282   2HO*    C  27          2HO*        C  27  44.005 -11.852 -11.334
  283    H1*    C  27           H1*        C  27  44.163  -8.965 -10.591
  284   1H4     C  27          1H4         C  27  43.487  -3.535 -13.812
  285   2H4     C  27          2H4         C  27  44.976  -3.863 -14.667
  286    H5     C  27           H5         C  27  46.182  -5.930 -14.465
  287    H6     C  27           H6         C  27  46.240  -8.129 -13.418
  288   1H5*    C  28          1H5*        C  28  42.273 -12.178 -12.891
  289   2H5*    C  28          2H5*        C  28  41.120 -13.228 -13.738
  290    H4*    C  28           H4*        C  28  39.754 -11.571 -12.766
  291    H3*    C  28           H3*        C  28  40.428 -10.802 -15.641
  292    H2*    C  28           H2*        C  28  38.929  -8.969 -15.372
  293   2HO*    C  28          2HO*        C  28  38.053 -10.389 -13.054
  294    H1*    C  28           H1*        C  28  39.731  -8.316 -12.807
  295   1H4     C  28          1H4         C  28  42.758  -4.416 -16.817
  296   2H4     C  28          2H4         C  28  44.002  -5.621 -17.061
  297    H5     C  28           H5         C  28  43.884  -7.850 -16.121
  298    H6     C  28           H6         C  28  42.550  -9.384 -14.796
  299   1H5*    C  29          1H5*        C  29  36.177 -10.599 -15.969
  300   2H5*    C  29          2H5*        C  29  35.760 -12.018 -16.951
  301    H4*    C  29           H4*        C  29  34.584 -10.370 -18.083
  302    H3*    C  29           H3*        C  29  37.382 -10.519 -19.261
  303    H2*    C  29           H2*        C  29  36.837  -8.753 -20.726
  304   2HO*    C  29          2HO*        C  29  34.130  -8.641 -20.025
  305    H1*    C  29           H1*        C  29  35.294  -7.269 -18.998
  306   1H4     C  29          1H4         C  29  40.883  -4.294 -18.946
  307   2H4     C  29          2H4         C  29  41.715  -5.737 -18.414
  308    H5     C  29           H5         C  29  40.608  -7.841 -18.063
  309    H6     C  29           H6         C  29  38.465  -9.023 -18.127
  310   1H5*    C  30          1H5*        C  30  34.256  -9.899 -22.297
  311   2H5*    C  30          2H5*        C  30  34.953 -10.229 -23.895
  312    H4*    C  30           H4*        C  30  34.317  -7.777 -23.312
  313    H3*    C  30           H3*        C  30  37.038  -8.602 -24.376
  314    H2*    C  30           H2*        C  30  37.559  -6.323 -24.546
  315   2HO*    C  30          2HO*        C  30  35.840  -4.715 -24.321
  316    H1*    C  30           H1*        C  30  36.129  -5.535 -22.255
  317   1H4     C  30          1H4         C  30  42.294  -5.216 -20.757
  318   2H4     C  30          2H4         C  30  42.448  -6.957 -20.849
  319    H5     C  30           H5         C  30  40.631  -8.407 -21.519
  320    H6     C  30           H6         C  30  38.302  -8.496 -22.242
  321    H3T    C  30           H3T        C  30  35.431  -9.010 -25.843
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1  38.204   1.495 -24.657
    2   2H5*    G   1          2H5*        G   1  38.466   3.161 -24.102
    3    H4*    G   1           H4*        G   1  36.372   2.710 -23.197
    4    H3*    G   1           H3*        G   1  38.579   2.137 -21.233
    5    H2*    G   1           H2*        G   1  37.093   1.106 -19.673
    6   2HO*    G   1          2HO*        G   1  34.889   1.444 -19.724
    7    H1*    G   1           H1*        G   1  35.539  -0.293 -21.391
    8    H8     G   1           H8         G   1  39.277  -0.007 -22.269
    9    H1     G   1           H1         G   1  37.748  -5.209 -18.924
   10   1H2     G   1          1H2         G   1  35.621  -5.109 -18.295
   11   2H2     G   1          2H2         G   1  34.585  -3.758 -18.696
   12    H5T    G   1           H5T        G   1  40.121   1.306 -23.772
   13   1H5*    G   2          1H5*        G   2  35.673   3.245 -19.316
   14   2H5*    G   2          2H5*        G   2  35.705   4.335 -17.918
   15    H4*    G   2           H4*        G   2  35.046   2.144 -17.135
   16    H3*    G   2           H3*        G   2  37.817   3.110 -16.441
   17    H2*    G   2           H2*        G   2  38.454   1.041 -15.651
   18   2HO*    G   2          2HO*        G   2  36.074   1.316 -14.401
   19    H1*    G   2           H1*        G   2  36.330  -0.545 -16.793
   20    H8     G   2           H8         G   2  39.104   0.965 -18.869
   21    H1     G   2           H1         G   2  40.744  -4.570 -16.161
   22   1H2     G   2          1H2         G   2  39.121  -5.245 -14.802
   23   2H2     G   2          2H2         G   2  37.648  -4.331 -14.572
   24   1H5*    G   3          1H5*        G   3  34.879   2.342 -12.839
   25   2H5*    G   3          2H5*        G   3  35.490   2.996 -11.307
   26    H4*    G   3           H4*        G   3  34.860   0.545 -11.241
   27    H3*    G   3           H3*        G   3  37.653   1.531 -10.552
   28    H2*    G   3           H2*        G   3  38.307  -0.678 -10.098
   29   2HO*    G   3          2HO*        G   3  36.127  -2.160 -10.349
   30    H1*    G   3           H1*        G   3  36.944  -1.933 -12.107
   31    H8     G   3           H8         G   3  38.541   1.135 -13.484
   32    H1     G   3           H1         G   3  42.702  -3.617 -12.659
   33   1H2     G   3          1H2         G   3  41.796  -5.214 -11.421
   34   2H2     G   3          2H2         G   3  40.166  -5.106 -10.795
   35   1H5*    C   4          1H5*        C   4  36.130  -1.330  -8.270
   36   2H5*    C   4          2H5*        C   4  35.901  -0.991  -6.543
   37    H4*    C   4           H4*        C   4  36.711  -3.209  -6.590
   38    H3*    C   4           H3*        C   4  38.916  -1.198  -6.035
   39    H2*    C   4           H2*        C   4  40.473  -2.991  -5.864
   40   2HO*    C   4          2HO*        C   4  39.709  -4.716  -4.893
   41    H1*    C   4           H1*        C   4  39.643  -4.388  -8.034
   42   1H4     C   4          1H4         C   4  44.132  -0.450 -10.250
   43   2H4     C   4          2H4         C   4  43.018   0.884 -10.166
   44    H5     C   4           H5         C   4  40.832   0.717  -9.269
   45    H6     C   4           H6         C   4  39.175  -0.749  -8.241
   46   1H5*    U   5          1H5*        U   5  39.223  -4.138  -2.617
   47   2H5*    U   5          2H5*        U   5  40.332  -3.358  -1.470
   48    H4*    U   5           H4*        U   5  41.143  -5.436  -2.863
   49    H3*    U   5           H3*        U   5  42.668  -2.851  -2.363
   50    H2*    U   5           H2*        U   5  44.526  -3.836  -3.512
   51   2HO*    U   5          2HO*        U   5  44.117  -6.133  -4.302
   52    H1*    U   5           H1*        U   5  43.100  -4.817  -5.602
   53    H3     U   5           H3         U   5  45.352  -1.181  -7.144
   54    H5     U   5           H5         U   5  41.990   0.407  -5.199
   55    H6     U   5           H6         U   5  41.491  -1.812  -4.368
   56   1H5*    G   6          1H5*        G   6  44.619  -6.010  -1.874
   57   2H5*    G   6          2H5*        G   6  45.949  -6.319  -0.737
   58    H4*    G   6           H4*        G   6  46.675  -6.459  -3.115
   59    H3*    G   6           H3*        G   6  47.811  -4.271  -1.330
   60    H2*    G   6           H2*        G   6  49.255  -3.672  -3.123
   61   2HO*    G   6          2HO*        G   6  48.472  -5.787  -4.789
   62    H1*    G   6           H1*        G   6  47.415  -4.006  -5.153
   63    H8     G   6           H8         G   6  45.487  -2.160  -2.645
   64    H1     G   6           H1         G   6  50.138   1.523  -4.947
   65   1H2     G   6          1H2         G   6  51.557   0.287  -6.137
   66   2H2     G   6          2H2         G   6  51.374  -1.441  -6.327
   67   1H5*    U   7          1H5*        U   7  50.596  -5.693  -2.737
   68   2H5*    U   7          2H5*        U   7  51.867  -6.713  -2.033
   69    H4*    U   7           H4*        U   7  53.286  -5.160  -2.899
   70    H3*    U   7           H3*        U   7  52.177  -3.783  -0.423
   71    H2*    U   7           H2*        U   7  53.340  -1.825  -1.027
   72   2HO*    U   7          2HO*        U   7  54.717  -2.614  -3.221
   73    H1*    U   7           H1*        U   7  52.927  -1.945  -3.735
   74    H3     U   7           H3         U   7  50.544   1.671  -2.531
   75    H5     U   7           H5         U   7  48.584  -1.458  -0.561
   76    H6     U   7           H6         U   7  50.290  -2.976  -1.368
   77   1H5*    U   8          1H5*        U   8  57.024  -3.532  -0.317
   78   2H5*    U   8          2H5*        U   8  57.263  -3.523   1.440
   79    H4*    U   8           H4*        U   8  58.455  -1.662   0.246
   80    H3*    U   8           H3*        U   8  56.320  -1.041   2.328
   81    H2*    U   8           H2*        U   8  56.851   1.269   2.066
   82   2HO*    U   8          2HO*        U   8  59.173   0.251   0.788
   83    H1*    U   8           H1*        U   8  56.967   1.268  -0.652
   84    H3     U   8           H3         U   8  53.130   3.403   0.516
   85    H5     U   8           H5         U   8  52.231  -0.692   0.935
   86    H6     U   8           H6         U   8  54.579  -1.175   0.544
   87   1H5*    U   9          1H5*        U   9  59.801   1.490   2.896
   88   2H5*    U   9          2H5*        U   9  59.979   1.837   4.625
   89    H4*    U   9           H4*        U   9  59.619   3.832   2.993
   90    H3*    U   9           H3*        U   9  58.023   3.392   5.551
   91    H2*    U   9           H2*        U   9  56.956   5.459   5.151
   92   2HO*    U   9          2HO*        U   9  57.976   7.091   4.225
   93    H1*    U   9           H1*        U   9  56.880   5.254   2.356
   94    H3     U   9           H3         U   9  52.663   5.713   4.149
   95    H5     U   9           H5         U   9  53.583   1.601   4.351
   96    H6     U   9           H6         U   9  55.856   2.145   3.737
   97   1H5*    U  10          1H5*        U  10  60.653   6.998   7.071
   98   2H5*    U  10          2H5*        U  10  60.377   6.820   8.815
   99    H4*    U  10           H4*        U  10  59.366   8.887   7.526
  100    H3*    U  10           H3*        U  10  57.891   7.160   9.560
  101    H2*    U  10           H2*        U  10  56.073   8.656   9.347
  102   2HO*    U  10          2HO*        U  10  57.990  10.441   8.213
  103    H1*    U  10           H1*        U  10  56.405   9.177   6.612
  104    H3     U  10           H3         U  10  52.238   7.504   7.454
  105    H5     U  10           H5         U  10  54.774   4.141   7.431
  106    H6     U  10           H6         U  10  56.671   5.658   7.315
  107   1H5*    U  11          1H5*        U  11  57.409  11.475  11.038
  108   2H5*    U  11          2H5*        U  11  57.485  11.243  12.795
  109    H4*    U  11           H4*        U  11  55.384  12.391  11.927
  110    H3*    U  11           H3*        U  11  55.230   9.818  13.554
  111    H2*    U  11           H2*        U  11  52.870  10.118  13.562
  112   2HO*    U  11          2HO*        U  11  52.175  12.265  12.450
  113    H1*    U  11           H1*        U  11  52.650  10.990  10.958
  114    H3     U  11           H3         U  11  50.485   6.996  11.349
  115    H5     U  11           H5         U  11  54.567   5.995  11.075
  116    H6     U  11           H6         U  11  55.090   8.350  11.226
  117   1H5*    C  12          1H5*        C  12  52.793  12.719  15.487
  118   2H5*    C  12          2H5*        C  12  53.005  12.649  17.247
  119    H4*    C  12           H4*        C  12  50.645  12.402  16.755
  120    H3*    C  12           H3*        C  12  52.038   9.816  17.571
  121    H2*    C  12           H2*        C  12  49.889   8.791  17.582
  122   2HO*    C  12          2HO*        C  12  48.303   9.990  18.316
  123    H1*    C  12           H1*        C  12  48.980   9.988  15.269
  124   1H4     C  12          1H4         C  12  51.134   4.178  13.850
  125   2H4     C  12          2H4         C  12  52.786   4.715  13.991
  126    H5     C  12           H5         C  12  53.394   6.940  14.647
  127    H6     C  12           H6         C  12  52.546   9.116  15.344
  128   1H5*    U  13          1H5*        U  13  49.333   8.671  21.479
  129   2H5*    U  13          2H5*        U  13  50.506   7.370  21.196
  130    H4*    U  13           H4*        U  13  47.768   7.765  19.970
  131    H3*    U  13           H3*        U  13  49.305   5.516  21.325
  132    H2*    U  13           H2*        U  13  48.040   3.978  20.085
  133   2HO*    U  13          2HO*        U  13  46.108   6.049  19.685
  134    H1*    U  13           H1*        U  13  47.504   5.709  17.865
  135    H3     U  13           H3         U  13  48.864   1.326  16.924
  136    H5     U  13           H5         U  13  52.297   3.777  16.944
  137    H6     U  13           H6         U  13  50.957   5.543  17.906
  138   1H5*    C  14          1H5*        C  14  45.657   4.344  21.042
  139   2H5*    C  14          2H5*        C  14  44.899   3.860  22.571
  140    H4*    C  14           H4*        C  14  44.641   2.057  20.988
  141    H3*    C  14           H3*        C  14  46.627   1.648  23.238
  142    H2*    C  14           H2*        C  14  47.207  -0.481  22.415
  143   2HO*    C  14          2HO*        C  14  45.570  -0.958  20.386
  144    H1*    C  14           H1*        C  14  47.088   0.082  19.716
  145   1H4     C  14          1H4         C  14  53.246   0.445  21.252
  146   2H4     C  14          2H4         C  14  52.983   1.999  22.011
  147    H5     C  14           H5         C  14  50.808   3.000  22.249
  148    H6     C  14           H6         C  14  48.410   2.718  21.818
  149   1H5*    G  15          1H5*        G  15  45.718  -0.895  27.048
  150   2H5*    G  15          2H5*        G  15  46.622   0.206  25.989
  151    H4*    G  15           H4*        G  15  46.130  -2.591  25.020
  152    H3*    G  15           H3*        G  15  47.123  -2.505  27.542
  153    H2*    G  15           H2*        G  15  48.720  -0.743  27.080
  154   2HO*    G  15          2HO*        G  15  49.896  -3.327  26.901
  155    H1*    G  15           H1*        G  15  49.638  -2.306  24.659
  156    H8     G  15           H8         G  15  51.508  -0.861  23.702
  157    H1     G  15           H1         G  15  48.995   4.599  25.817
  158   1H2     G  15          1H2         G  15  47.108   4.190  26.905
  159   2H2     G  15          2H2         G  15  46.471   2.574  27.107
  160   1H5*    C  16          1H5*        C  16  45.622  -4.986  22.498
  161   2H5*    C  16          2H5*        C  16  47.033  -5.829  23.166
  162    H4*    C  16           H4*        C  16  46.951  -3.262  21.561
  163    H3*    C  16           H3*        C  16  47.813  -6.033  21.122
  164    H2*    C  16           H2*        C  16  50.075  -5.642  21.444
  165   2HO*    C  16          2HO*        C  16  51.021  -4.863  19.666
  166    H1*    C  16           H1*        C  16  49.781  -2.655  21.265
  167   1H4     C  16          1H4         C  16  55.208  -3.247  24.533
  168   2H4     C  16          2H4         C  16  54.505  -4.467  25.571
  169    H5     C  16           H5         C  16  52.246  -5.306  25.286
  170    H6     C  16           H6         C  16  50.203  -5.123  23.968
  171   1H5*    U  17          1H5*        U  17  47.174  -4.741  15.986
  172   2H5*    U  17          2H5*        U  17  48.743  -5.337  15.413
  173    H4*    U  17           H4*        U  17  47.877  -2.582  16.076
  174    H3*    U  17           H3*        U  17  49.595  -3.947  14.100
  175    H2*    U  17           H2*        U  17  51.567  -2.964  14.782
  176   2HO*    U  17          2HO*        U  17  50.980  -0.370  14.841
  177    H1*    U  17           H1*        U  17  50.244  -0.986  16.584
  178    H3     U  17           H3         U  17  54.882  -0.745  16.997
  179    H5     U  17           H5         U  17  53.570  -3.987  19.338
  180    H6     U  17           H6         U  17  51.380  -3.779  18.279
  181   1H5*    G  18          1H5*        G  18  45.347  -3.080  12.832
  182   2H5*    G  18          2H5*        G  18  45.075  -2.216  11.305
  183    H4*    G  18           H4*        G  18  43.366  -1.639  13.006
  184    H3*    G  18           H3*        G  18  45.177   0.400  11.776
  185    H2*    G  18           H2*        G  18  44.744   2.094  13.360
  186   2HO*    G  18          2HO*        G  18  42.901   1.916  14.794
  187    H1*    G  18           H1*        G  18  44.633   0.652  15.648
  188    H8     G  18           H8         G  18  47.304  -1.271  14.453
  189    H1     G  18           H1         G  18  49.272   4.766  14.540
  190   1H2     G  18          1H2         G  18  47.532   6.140  14.731
  191   2H2     G  18          2H2         G  18  45.885   5.561  14.838
  192   1H5*    A  19          1H5*        A  19  41.845   2.489  12.171
  193   2H5*    A  19          2H5*        A  19  40.825   2.593  10.722
  194    H4*    A  19           H4*        A  19  40.736   4.793  11.425
  195    H3*    A  19           H3*        A  19  43.112   4.452   9.582
  196    H2*    A  19           H2*        A  19  43.755   6.725   9.947
  197   2HO*    A  19          2HO*        A  19  41.175   6.919  11.140
  198    H1*    A  19           H1*        A  19  43.643   6.649  12.609
  199    H8     A  19           H8         A  19  44.329   3.139  11.455
  200   1H6     A  19          1H6         A  19  50.291   4.611  11.178
  201   2H6     A  19          2H6         A  19  49.134   3.301  11.108
  202    H2     A  19           H2         A  19  47.948   8.383  11.810
  203   1H5*    C  20          1H5*        C  20  41.762   7.731   8.800
  204   2H5*    C  20          2H5*        C  20  41.804   8.439   7.174
  205    H4*    C  20           H4*        C  20  43.418   9.531   8.729
  206    H3*    C  20           H3*        C  20  44.547   7.936   6.389
  207    H2*    C  20           H2*        C  20  46.662   8.840   6.977
  208   2HO*    C  20          2HO*        C  20  45.273  10.671   8.683
  209    H1*    C  20           H1*        C  20  46.213   8.754   9.741
  210   1H4     C  20          1H4         C  20  50.283   4.142   8.083
  211   2H4     C  20          2H4         C  20  48.948   3.012   8.164
  212    H5     C  20           H5         C  20  46.649   3.706   8.468
  213    H6     C  20           H6         C  20  45.145   5.624   8.736
  214   1H5*    U  21          1H5*        U  21  45.928  11.737   5.042
  215   2H5*    U  21          2H5*        U  21  46.069  11.611   3.277
  216    H4*    U  21           H4*        U  21  48.256  11.620   4.693
  217    H3*    U  21           H3*        U  21  47.540   9.702   2.458
  218    H2*    U  21           H2*        U  21  49.403   8.404   2.889
  219   2HO*    U  21          2HO*        U  21  51.255   9.603   4.069
  220    H1*    U  21           H1*        U  21  49.906   9.280   5.583
  221    H3     U  21           H3         U  21  50.647   4.777   5.204
  222    H5     U  21           H5         U  21  46.470   5.238   5.445
  223    H6     U  21           H6         U  21  46.793   7.633   5.175
  224   1H5*    U  22          1H5*        U  22  51.715  11.695   1.339
  225   2H5*    U  22          2H5*        U  22  51.732  11.535  -0.427
  226    H4*    U  22           H4*        U  22  53.700  10.484   0.834
  227    H3*    U  22           H3*        U  22  51.952   8.991  -1.152
  228    H2*    U  22           H2*        U  22  53.310   7.066  -0.853
  229   2HO*    U  22          2HO*        U  22  55.153   8.653   0.641
  230    H1*    U  22           H1*        U  22  53.655   7.279   1.862
  231    H3     U  22           H3         U  22  51.063   3.610   1.167
  232    H5     U  22           H5         U  22  48.419   6.874   0.880
  233    H6     U  22           H6         U  22  50.350   8.337   0.950
  234   1H5*    U  23          1H5*        U  23  55.909   8.503  -2.230
  235   2H5*    U  23          2H5*        U  23  56.358   9.393  -3.699
  236    H4*    U  23           H4*        U  23  57.464   7.415  -4.115
  237    H3*    U  23           H3*        U  23  54.651   7.200  -5.193
  238    H2*    U  23           H2*        U  23  54.931   4.919  -5.679
  239   2HO*    U  23          2HO*        U  23  56.846   4.037  -6.175
  240    H1*    U  23           H1*        U  23  56.463   4.165  -3.555
  241    H3     U  23           H3         U  23  52.659   1.953  -2.651
  242    H5     U  23           H5         U  23  51.578   5.993  -2.147
  243    H6     U  23           H6         U  23  53.770   6.612  -2.980
  244   1H5*    C  24          1H5*        C  24  57.236   5.738  -8.749
  245   2H5*    C  24          2H5*        C  24  56.205   6.153 -10.134
  246    H4*    C  24           H4*        C  24  56.704   3.667  -9.817
  247    H3*    C  24           H3*        C  24  53.891   4.808  -9.981
  248    H2*    C  24           H2*        C  24  53.025   2.606  -9.835
  249   2HO*    C  24          2HO*        C  24  55.705   1.729 -10.335
  250    H1*    C  24           H1*        C  24  54.805   1.643  -7.964
  251   1H4     C  24          1H4         C  24  49.545   3.212  -4.761
  252   2H4     C  24          2H4         C  24  49.951   4.910  -4.870
  253    H5     C  24           H5         C  24  51.849   5.737  -6.102
  254    H6     C  24           H6         C  24  53.772   5.110  -7.489
  255   1H5*    A  25          1H5*        A  25  54.782   1.513 -12.252
  256   2H5*    A  25          2H5*        A  25  53.807   1.080 -13.669
  257    H4*    A  25           H4*        A  25  53.830  -0.490 -11.543
  258    H3*    A  25           H3*        A  25  51.483   0.324 -13.272
  259    H2*    A  25           H2*        A  25  49.983  -0.735 -11.856
  260   2HO*    A  25          2HO*        A  25  51.070  -2.396 -10.301
  261    H1*    A  25           H1*        A  25  51.516  -0.639  -9.462
  262    H8     A  25           H8         A  25  50.826   2.760 -10.671
  263   1H6     A  25          1H6         A  25  45.229   2.336  -8.096
  264   2H6     A  25          2H6         A  25  46.399   3.434  -8.797
  265    H2     A  25           H2         A  25  47.031  -1.770  -8.254
  266   1H5*    G  26          1H5*        G  26  52.775  -4.607 -13.394
  267   2H5*    G  26          2H5*        G  26  51.571  -5.288 -14.505
  268    H4*    G  26           H4*        G  26  51.972  -6.488 -12.236
  269    H3*    G  26           H3*        G  26  49.282  -5.763 -13.439
  270    H2*    G  26           H2*        G  26  48.194  -6.741 -11.548
  271   2HO*    G  26          2HO*        G  26  50.777  -7.818 -10.985
  272    H1*    G  26           H1*        G  26  49.730  -5.631  -9.649
  273    H8     G  26           H8         G  26  49.763  -2.900 -11.972
  274    H1     G  26           H1         G  26  43.877  -3.599  -9.718
  275   1H2     G  26          1H2         G  26  43.663  -5.564  -8.716
  276   2H2     G  26          2H2         G  26  44.978  -6.714  -8.604
  277   1H5*    C  27          1H5*        C  27  49.103  -9.252 -12.069
  278   2H5*    C  27          2H5*        C  27  48.664 -10.693 -13.008
  279    H4*    C  27           H4*        C  27  47.229 -10.755 -11.127
  280    H3*    C  27           H3*        C  27  45.868  -9.583 -13.579
  281    H2*    C  27           H2*        C  27  43.853  -9.357 -12.285
  282   2HO*    C  27          2HO*        C  27  45.160 -10.621 -10.093
  283    H1*    C  27           H1*        C  27  44.984  -8.217 -10.153
  284   1H4     C  27          1H4         C  27  43.851  -3.232 -13.916
  285   2H4     C  27          2H4         C  27  45.345  -3.531 -14.773
  286    H5     C  27           H5         C  27  46.732  -5.454 -14.375
  287    H6     C  27           H6         C  27  46.997  -7.507 -13.093
  288   1H5*    C  28          1H5*        C  28  43.547 -11.788 -12.110
  289   2H5*    C  28          2H5*        C  28  42.578 -13.081 -12.845
  290    H4*    C  28           H4*        C  28  40.973 -11.535 -12.061
  291    H3*    C  28           H3*        C  28  41.570 -11.105 -15.015
  292    H2*    C  28           H2*        C  28  39.888  -9.424 -15.033
  293   2HO*    C  28          2HO*        C  28  39.117  -9.955 -12.367
  294    H1*    C  28           H1*        C  28  40.531  -8.291 -12.607
  295   1H4     C  28          1H4         C  28  43.352  -4.787 -17.109
  296   2H4     C  28          2H4         C  28  44.721  -5.877 -17.103
  297    H5     C  28           H5         C  28  44.771  -7.926 -15.814
  298    H6     C  28           H6         C  28  43.528  -9.361 -14.309
  299   1H5*    C  29          1H5*        C  29  37.572 -11.948 -14.228
  300   2H5*    C  29          2H5*        C  29  36.828 -13.378 -14.970
  301    H4*    C  29           H4*        C  29  35.174 -11.728 -15.223
  302    H3*    C  29           H3*        C  29  36.892 -11.976 -17.711
  303    H2*    C  29           H2*        C  29  35.672 -10.237 -18.739
  304   2HO*    C  29          2HO*        C  29  33.688 -11.192 -17.158
  305    H1*    C  29           H1*        C  29  35.381  -8.601 -16.568
  306   1H4     C  29          1H4         C  29  40.372  -6.236 -19.689
  307   2H4     C  29          2H4         C  29  41.287  -7.705 -19.442
  308    H5     C  29           H5         C  29  40.401  -9.632 -18.330
  309    H6     C  29           H6         C  29  38.463 -10.584 -17.182
  310   1H5*    C  30          1H5*        C  30  32.745 -11.250 -18.691
  311   2H5*    C  30          2H5*        C  30  32.470 -11.677 -20.391
  312    H4*    C  30           H4*        C  30  32.391  -9.166 -19.724
  313    H3*    C  30           H3*        C  30  34.102 -10.229 -21.996
  314    H2*    C  30           H2*        C  30  34.553  -7.998 -22.551
  315   2HO*    C  30          2HO*        C  30  33.098  -6.465 -22.327
  316    H1*    C  30           H1*        C  30  34.535  -7.054 -19.890
  317   1H4     C  30          1H4         C  30  40.573  -6.946 -21.848
  318   2H4     C  30          2H4         C  30  40.640  -8.694 -21.838
  319    H5     C  30           H5         C  30  38.729 -10.083 -21.340
  320    H6     C  30           H6         C  30  36.362 -10.101 -20.760
  321    H3T    C  30           H3T        C  30  32.248 -10.136 -23.046
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1  40.648   3.873 -23.124
    2   2H5*    G   1          2H5*        G   1  40.198   5.263 -22.116
    3    H4*    G   1           H4*        G   1  38.105   4.400 -22.622
    4    H3*    G   1           H3*        G   1  39.131   3.304 -20.012
    5    H2*    G   1           H2*        G   1  37.385   1.686 -19.851
    6   2HO*    G   1          2HO*        G   1  35.997   3.567 -21.126
    7    H1*    G   1           H1*        G   1  37.351   0.819 -22.396
    8    H8     G   1           H8         G   1  40.831   1.901 -21.198
    9    H1     G   1           H1         G   1  39.428  -4.185 -19.913
   10   1H2     G   1          1H2         G   1  37.301  -4.591 -20.399
   11   2H2     G   1          2H2         G   1  36.232  -3.364 -21.040
   12    H5T    G   1           H5T        G   1  41.873   3.552 -21.416
   13   1H5*    G   2          1H5*        G   2  35.941   3.545 -19.025
   14   2H5*    G   2          2H5*        G   2  35.196   4.611 -17.816
   15    H4*    G   2           H4*        G   2  34.841   2.623 -16.732
   16    H3*    G   2           H3*        G   2  37.665   3.478 -16.067
   17    H2*    G   2           H2*        G   2  38.132   1.420 -15.122
   18   2HO*    G   2          2HO*        G   2  36.815   0.618 -13.657
   19    H1*    G   2           H1*        G   2  36.010  -0.088 -16.366
   20    H8     G   2           H8         G   2  38.966   1.383 -18.219
   21    H1     G   2           H1         G   2  40.065  -4.472 -15.954
   22   1H2     G   2          1H2         G   2  38.330  -5.148 -14.747
   23   2H2     G   2          2H2         G   2  36.912  -4.153 -14.502
   24   1H5*    G   3          1H5*        G   3  34.681   2.936 -12.466
   25   2H5*    G   3          2H5*        G   3  35.342   3.577 -10.949
   26    H4*    G   3           H4*        G   3  34.545   1.175 -10.835
   27    H3*    G   3           H3*        G   3  37.380   2.014 -10.149
   28    H2*    G   3           H2*        G   3  37.973  -0.201  -9.737
   29   2HO*    G   3          2HO*        G   3  36.610  -1.636  -8.892
   30    H1*    G   3           H1*        G   3  36.365  -1.455 -11.615
   31    H8     G   3           H8         G   3  38.378   1.441 -12.958
   32    H1     G   3           H1         G   3  41.715  -3.974 -12.568
   33   1H2     G   3          1H2         G   3  40.566  -5.492 -11.431
   34   2H2     G   3          2H2         G   3  38.978  -5.167 -10.773
   35   1H5*    C   4          1H5*        C   4  35.505  -0.458  -7.792
   36   2H5*    C   4          2H5*        C   4  35.042  -0.099  -6.117
   37    H4*    C   4           H4*        C   4  35.627  -2.335  -5.925
   38    H3*    C   4           H3*        C   4  38.100  -0.642  -5.432
   39    H2*    C   4           H2*        C   4  39.363  -2.637  -5.116
   40   2HO*    C   4          2HO*        C   4  37.283  -4.433  -5.482
   41    H1*    C   4           H1*        C   4  38.384  -4.007  -7.240
   42   1H4     C   4          1H4         C   4  43.480  -0.846  -9.399
   43   2H4     C   4          2H4         C   4  42.572   0.643  -9.427
   44    H5     C   4           H5         C   4  40.343   0.825  -8.639
   45    H6     C   4           H6         C   4  38.440  -0.350  -7.655
   46   1H5*    U   5          1H5*        U   5  38.085  -3.933  -2.393
   47   2H5*    U   5          2H5*        U   5  39.199  -3.363  -1.134
   48    H4*    U   5           H4*        U   5  39.890  -5.407  -2.612
   49    H3*    U   5           H3*        U   5  41.633  -3.005  -1.943
   50    H2*    U   5           H2*        U   5  43.420  -4.096  -3.093
   51   2HO*    U   5          2HO*        U   5  43.361  -6.260  -3.627
   52    H1*    U   5           H1*        U   5  41.956  -4.929  -5.240
   53    H3     U   5           H3         U   5  44.465  -1.598  -6.946
   54    H5     U   5           H5         U   5  41.554   0.408  -4.676
   55    H6     U   5           H6         U   5  40.816  -1.743  -3.833
   56   1H5*    G   6          1H5*        G   6  43.457  -6.469  -1.537
   57   2H5*    G   6          2H5*        G   6  44.742  -6.693  -0.334
   58    H4*    G   6           H4*        G   6  45.489  -6.953  -2.737
   59    H3*    G   6           H3*        G   6  46.709  -4.846  -0.908
   60    H2*    G   6           H2*        G   6  48.236  -4.331  -2.647
   61   2HO*    G   6          2HO*        G   6  47.357  -6.550  -4.184
   62    H1*    G   6           H1*        G   6  46.455  -4.592  -4.747
   63    H8     G   6           H8         G   6  44.615  -2.558  -2.291
   64    H1     G   6           H1         G   6  49.538   0.744  -4.621
   65   1H2     G   6          1H2         G   6  50.870  -0.593  -5.778
   66   2H2     G   6          2H2         G   6  50.573  -2.307  -5.951
   67   1H5*    U   7          1H5*        U   7  49.461  -6.426  -2.317
   68   2H5*    U   7          2H5*        U   7  50.635  -7.504  -1.538
   69    H4*    U   7           H4*        U   7  52.174  -6.081  -2.421
   70    H3*    U   7           H3*        U   7  51.119  -4.575   0.001
   71    H2*    U   7           H2*        U   7  52.470  -2.736  -0.605
   72   2HO*    U   7          2HO*        U   7  54.209  -4.470  -1.282
   73    H1*    U   7           H1*        U   7  52.080  -2.858  -3.313
   74    H3     U   7           H3         U   7  49.947   0.943  -2.205
   75    H5     U   7           H5         U   7  47.762  -1.999  -0.179
   76    H6     U   7           H6         U   7  49.357  -3.651  -0.949
   77   1H5*    U   8          1H5*        U   8  55.970  -4.741   0.192
   78   2H5*    U   8          2H5*        U   8  56.175  -4.732   1.955
   79    H4*    U   8           H4*        U   8  57.562  -3.004   0.781
   80    H3*    U   8           H3*        U   8  55.415  -2.143   2.765
   81    H2*    U   8           H2*        U   8  56.186   0.097   2.488
   82   2HO*    U   8          2HO*        U   8  58.460  -1.197   1.442
   83    H1*    U   8           H1*        U   8  56.390   0.027  -0.220
   84    H3     U   8           H3         U   8  52.746   2.556   0.719
   85    H5     U   8           H5         U   8  51.435  -1.413   1.247
   86    H6     U   8           H6         U   8  53.735  -2.136   0.962
   87   1H5*    U   9          1H5*        U   9  59.142  -0.211   3.605
   88   2H5*    U   9          2H5*        U   9  59.265   0.273   5.307
   89    H4*    U   9           H4*        U   9  59.281   2.134   3.493
   90    H3*    U   9           H3*        U   9  57.455   2.159   5.935
   91    H2*    U   9           H2*        U   9  56.821   4.354   5.281
   92   2HO*    U   9          2HO*        U   9  58.058   5.263   3.357
   93    H1*    U   9           H1*        U   9  56.746   3.839   2.554
   94    H3     U   9           H3         U   9  52.587   4.954   4.214
   95    H5     U   9           H5         U   9  53.023   0.800   4.802
   96    H6     U   9           H6         U   9  55.345   1.018   4.194
   97   1H5*    U  10          1H5*        U  10  60.691   5.333   7.237
   98   2H5*    U  10          2H5*        U  10  60.390   5.455   8.983
   99    H4*    U  10           H4*        U  10  59.881   7.519   7.447
  100    H3*    U  10           H3*        U  10  58.023   6.397   9.586
  101    H2*    U  10           H2*        U  10  56.565   8.207   9.135
  102   2HO*    U  10          2HO*        U  10  58.749   9.388   7.714
  103    H1*    U  10           H1*        U  10  56.952   8.270   6.383
  104    H3     U  10           H3         U  10  52.585   7.380   7.522
  105    H5     U  10           H5         U  10  54.571   3.665   7.639
  106    H6     U  10           H6         U  10  56.670   4.852   7.374
  107   1H5*    U  11          1H5*        U  11  58.006  10.719  10.249
  108   2H5*    U  11          2H5*        U  11  58.317  10.870  11.990
  109    H4*    U  11           H4*        U  11  56.266  12.088  11.308
  110    H3*    U  11           H3*        U  11  55.988   9.683  13.148
  111    H2*    U  11           H2*        U  11  53.672  10.156  13.291
  112   2HO*    U  11          2HO*        U  11  53.357  12.421  11.919
  113    H1*    U  11           H1*        U  11  53.294  10.935  10.670
  114    H3     U  11           H3         U  11  50.811   7.176  11.359
  115    H5     U  11           H5         U  11  54.774   5.794  11.014
  116    H6     U  11           H6         U  11  55.505   8.092  10.957
  117   1H5*    C  12          1H5*        C  12  54.024  13.160  15.458
  118   2H5*    C  12          2H5*        C  12  54.339  12.685  17.139
  119    H4*    C  12           H4*        C  12  51.886  12.942  16.538
  120    H3*    C  12           H3*        C  12  53.025  10.323  17.595
  121    H2*    C  12           H2*        C  12  50.831   9.444  17.613
  122   2HO*    C  12          2HO*        C  12  50.045  12.180  17.490
  123    H1*    C  12           H1*        C  12  49.959  10.645  15.263
  124   1H4     C  12          1H4         C  12  51.371   4.564  14.073
  125   2H4     C  12          2H4         C  12  53.072   4.930  14.062
  126    H5     C  12           H5         C  12  53.951   7.102  14.559
  127    H6     C  12           H6         C  12  53.387   9.385  15.193
  128   1H5*    U  13          1H5*        U  13  51.211   8.470  21.268
  129   2H5*    U  13          2H5*        U  13  51.798   8.367  19.595
  130    H4*    U  13           H4*        U  13  48.854   8.676  19.839
  131    H3*    U  13           H3*        U  13  50.322   6.284  21.031
  132    H2*    U  13           H2*        U  13  48.650   4.891  20.131
  133   2HO*    U  13          2HO*        U  13  46.729   6.427  19.219
  134    H1*    U  13           H1*        U  13  48.083   6.472  17.852
  135    H3     U  13           H3         U  13  49.009   1.955  17.131
  136    H5     U  13           H5         U  13  52.637   4.072  16.741
  137    H6     U  13           H6         U  13  51.531   6.014  17.652
  138   1H5*    C  14          1H5*        C  14  46.335   5.610  21.561
  139   2H5*    C  14          2H5*        C  14  46.013   4.965  23.183
  140    H4*    C  14           H4*        C  14  45.268   3.443  21.352
  141    H3*    C  14           H3*        C  14  47.360   2.614  23.381
  142    H2*    C  14           H2*        C  14  47.626   0.521  22.328
  143   2HO*    C  14          2HO*        C  14  45.321   0.154  22.139
  144    H1*    C  14           H1*        C  14  47.411   1.348  19.713
  145   1H4     C  14          1H4         C  14  53.650   0.966  20.897
  146   2H4     C  14          2H4         C  14  53.596   2.489  21.756
  147    H5     C  14           H5         C  14  51.551   3.693  22.183
  148    H6     C  14           H6         C  14  49.114   3.687  21.870
  149   1H5*    G  15          1H5*        G  15  46.401  -0.036  27.093
  150   2H5*    G  15          2H5*        G  15  47.441   0.899  25.999
  151    H4*    G  15           H4*        G  15  46.544  -1.858  25.180
  152    H3*    G  15           H3*        G  15  47.696  -1.761  27.618
  153    H2*    G  15           H2*        G  15  49.424  -0.186  26.993
  154   2HO*    G  15          2HO*        G  15  50.488  -1.891  28.007
  155    H1*    G  15           H1*        G  15  50.094  -1.887  24.592
  156    H8     G  15           H8         G  15  51.878  -0.554  23.351
  157    H1     G  15           H1         G  15  50.020   5.038  25.776
  158   1H2     G  15          1H2         G  15  48.243   4.747  27.069
  159   2H2     G  15          2H2         G  15  47.522   3.177  27.329
  160   1H5*    C  16          1H5*        C  16  45.529  -4.177  22.870
  161   2H5*    C  16          2H5*        C  16  46.924  -5.148  23.384
  162    H4*    C  16           H4*        C  16  46.898  -2.573  21.790
  163    H3*    C  16           H3*        C  16  47.400  -5.390  21.242
  164    H2*    C  16           H2*        C  16  49.709  -5.293  21.470
  165   2HO*    C  16          2HO*        C  16  49.327  -4.927  19.137
  166    H1*    C  16           H1*        C  16  49.780  -2.296  21.201
  167   1H4     C  16          1H4         C  16  55.334  -3.480  24.079
  168   2H4     C  16          2H4         C  16  54.579  -4.631  25.158
  169    H5     C  16           H5         C  16  52.233  -5.213  25.045
  170    H6     C  16           H6         C  16  50.128  -4.799  23.880
  171   1H5*    U  17          1H5*        U  17  46.621  -3.924  16.177
  172   2H5*    U  17          2H5*        U  17  48.094  -4.653  15.511
  173    H4*    U  17           H4*        U  17  47.540  -1.843  16.288
  174    H3*    U  17           H3*        U  17  48.963  -3.310  14.157
  175    H2*    U  17           H2*        U  17  51.065  -2.531  14.696
  176   2HO*    U  17          2HO*        U  17  50.747   0.098  14.873
  177    H1*    U  17           H1*        U  17  50.086  -0.502  16.652
  178    H3     U  17           H3         U  17  54.745  -0.755  16.655
  179    H5     U  17           H5         U  17  53.305  -3.900  19.047
  180    H6     U  17           H6         U  17  51.059  -3.433  18.191
  181   1H5*    G  18          1H5*        G  18  44.700  -2.057  13.449
  182   2H5*    G  18          2H5*        G  18  44.306  -1.168  11.964
  183    H4*    G  18           H4*        G  18  42.894  -0.456  13.877
  184    H3*    G  18           H3*        G  18  44.659   1.406  12.358
  185    H2*    G  18           H2*        G  18  44.670   3.137  13.949
  186   2HO*    G  18          2HO*        G  18  42.837   3.636  14.875
  187    H1*    G  18           H1*        G  18  44.684   1.741  16.281
  188    H8     G  18           H8         G  18  46.981  -0.434  14.772
  189    H1     G  18           H1         G  18  49.582   5.360  14.712
  190   1H2     G  18          1H2         G  18  48.024   6.906  15.099
  191   2H2     G  18          2H2         G  18  46.344   6.501  15.373
  192   1H5*    A  19          1H5*        A  19  41.729   3.810  12.900
  193   2H5*    A  19          2H5*        A  19  40.499   3.988  11.633
  194    H4*    A  19           H4*        A  19  40.916   6.214  11.965
  195    H3*    A  19           H3*        A  19  43.096   5.246  10.085
  196    H2*    A  19           H2*        A  19  44.021   7.459  10.099
  197   2HO*    A  19          2HO*        A  19  42.950   9.182  11.090
  198    H1*    A  19           H1*        A  19  44.078   7.697  12.763
  199    H8     A  19           H8         A  19  44.282   4.028  11.892
  200   1H6     A  19          1H6         A  19  50.352   4.746  11.235
  201   2H6     A  19          2H6         A  19  49.045   3.586  11.314
  202    H2     A  19           H2         A  19  48.506   8.810  11.708
  203   1H5*    C  20          1H5*        C  20  42.099   8.566   8.955
  204   2H5*    C  20          2H5*        C  20  42.158   9.090   7.261
  205    H4*    C  20           H4*        C  20  43.921  10.160   8.664
  206    H3*    C  20           H3*        C  20  44.815   8.247   6.463
  207    H2*    C  20           H2*        C  20  47.019   9.036   6.899
  208   2HO*    C  20          2HO*        C  20  46.202  11.308   7.045
  209    H1*    C  20           H1*        C  20  46.681   9.207   9.666
  210   1H4     C  20          1H4         C  20  50.203   4.083   8.266
  211   2H4     C  20          2H4         C  20  48.768   3.104   8.491
  212    H5     C  20           H5         C  20  46.567   4.048   8.814
  213    H6     C  20           H6         C  20  45.268   6.121   8.971
  214   1H5*    U  21          1H5*        U  21  46.644  11.731   5.133
  215   2H5*    U  21          2H5*        U  21  46.751  11.707   3.361
  216    H4*    U  21           H4*        U  21  48.961  11.458   4.654
  217    H3*    U  21           H3*        U  21  47.963   9.626   2.465
  218    H2*    U  21           H2*        U  21  49.632   8.082   2.864
  219   2HO*    U  21          2HO*        U  21  51.594   9.448   4.074
  220    H1*    U  21           H1*        U  21  50.415   8.987   5.497
  221    H3     U  21           H3         U  21  50.671   4.429   5.394
  222    H5     U  21           H5         U  21  46.570   5.331   5.703
  223    H6     U  21           H6         U  21  47.124   7.652   5.270
  224   1H5*    U  22          1H5*        U  22  52.102  10.781   1.835
  225   2H5*    U  22          2H5*        U  22  52.473  11.101   0.130
  226    H4*    U  22           H4*        U  22  54.076   9.495   1.041
  227    H3*    U  22           H3*        U  22  52.066   8.450  -0.987
  228    H2*    U  22           H2*        U  22  53.071   6.326  -0.850
  229   2HO*    U  22          2HO*        U  22  55.234   7.081   0.739
  230    H1*    U  22           H1*        U  22  53.661   6.334   1.848
  231    H3     U  22           H3         U  22  50.693   2.971   1.365
  232    H5     U  22           H5         U  22  48.379   6.454   0.865
  233    H6     U  22           H6         U  22  50.440   7.731   0.920
  234   1H5*    U  23          1H5*        U  23  56.102   7.469  -2.067
  235   2H5*    U  23          2H5*        U  23  56.519   8.147  -3.654
  236    H4*    U  23           H4*        U  23  57.411   5.988  -3.787
  237    H3*    U  23           H3*        U  23  54.620   6.075  -4.962
  238    H2*    U  23           H2*        U  23  54.689   3.753  -5.350
  239   2HO*    U  23          2HO*        U  23  56.503   3.075  -6.196
  240    H1*    U  23           H1*        U  23  56.071   2.977  -3.116
  241    H3     U  23           H3         U  23  52.081   1.075  -2.311
  242    H5     U  23           H5         U  23  51.271   5.201  -2.038
  243    H6     U  23           H6         U  23  53.532   5.628  -2.799
  244   1H5*    C  24          1H5*        C  24  57.094   4.278  -8.481
  245   2H5*    C  24          2H5*        C  24  56.077   4.737  -9.862
  246    H4*    C  24           H4*        C  24  56.361   2.224  -9.446
  247    H3*    C  24           H3*        C  24  53.653   3.599  -9.634
  248    H2*    C  24           H2*        C  24  52.623   1.469  -9.450
  249   2HO*    C  24          2HO*        C  24  53.842  -0.464  -9.674
  250    H1*    C  24           H1*        C  24  54.334   0.426  -7.552
  251   1H4     C  24          1H4         C  24  49.160   2.453  -4.434
  252   2H4     C  24          2H4         C  24  49.698   4.109  -4.583
  253    H5     C  24           H5         C  24  51.657   4.758  -5.809
  254    H6     C  24           H6         C  24  53.542   3.961  -7.160
  255   1H5*    A  25          1H5*        A  25  54.275   0.207 -11.831
  256   2H5*    A  25          2H5*        A  25  53.271  -0.180 -13.242
  257    H4*    A  25           H4*        A  25  53.173  -1.705 -11.087
  258    H3*    A  25           H3*        A  25  50.897  -0.744 -12.836
  259    H2*    A  25           H2*        A  25  49.319  -1.671 -11.412
  260   2HO*    A  25          2HO*        A  25  51.310  -3.574 -11.116
  261    H1*    A  25           H1*        A  25  50.829  -1.620  -9.009
  262    H8     A  25           H8         A  25  50.457   1.791 -10.286
  263   1H6     A  25          1H6         A  25  44.845   1.930  -7.719
  264   2H6     A  25          2H6         A  25  46.113   2.902  -8.433
  265    H2     A  25           H2         A  25  46.254  -2.328  -7.815
  266   1H5*    G  26          1H5*        G  26  51.743  -5.136 -11.855
  267   2H5*    G  26          2H5*        G  26  51.473  -6.154 -13.283
  268    H4*    G  26           H4*        G  26  50.793  -7.476 -11.424
  269    H3*    G  26           H3*        G  26  48.491  -6.227 -12.947
  270    H2*    G  26           H2*        G  26  46.937  -7.184 -11.421
  271   2HO*    G  26          2HO*        G  26  48.219  -8.567  -9.660
  272    H1*    G  26           H1*        G  26  48.231  -6.605  -9.140
  273    H8     G  26           H8         G  26  48.954  -3.821 -11.417
  274    H1     G  26           H1         G  26  43.031  -3.442  -9.190
  275   1H2     G  26          1H2         G  26  42.473  -5.321  -8.166
  276   2H2     G  26          2H2         G  26  43.567  -6.681  -8.035
  277   1H5*    C  27          1H5*        C  27  47.723  -9.727 -11.720
  278   2H5*    C  27          2H5*        C  27  47.439 -11.093 -12.817
  279    H4*    C  27           H4*        C  27  45.780 -11.321 -11.144
  280    H3*    C  27           H3*        C  27  44.740 -10.028 -13.681
  281    H2*    C  27           H2*        C  27  42.580  -9.784 -12.677
  282   2HO*    C  27          2HO*        C  27  41.960 -10.908 -10.893
  283    H1*    C  27           H1*        C  27  43.382  -8.831 -10.315
  284   1H4     C  27          1H4         C  27  42.958  -3.500 -13.705
  285   2H4     C  27          2H4         C  27  44.507  -3.824 -14.449
  286    H5     C  27           H5         C  27  45.736  -5.861 -14.095
  287    H6     C  27           H6         C  27  45.758  -8.021 -12.971
  288   1H5*    C  28          1H5*        C  28  42.129 -12.293 -12.628
  289   2H5*    C  28          2H5*        C  28  41.266 -13.450 -13.661
  290    H4*    C  28           H4*        C  28  39.606 -11.908 -12.955
  291    H3*    C  28           H3*        C  28  40.655 -11.234 -15.734
  292    H2*    C  28           H2*        C  28  39.052  -9.484 -15.831
  293   2HO*    C  28          2HO*        C  28  37.771  -9.898 -13.437
  294    H1*    C  28           H1*        C  28  39.323  -8.644 -13.206
  295   1H4     C  28          1H4         C  28  42.794  -4.706 -16.802
  296   2H4     C  28          2H4         C  28  44.096  -5.873 -16.849
  297    H5     C  28           H5         C  28  43.925  -8.082 -15.887
  298    H6     C  28           H6         C  28  42.476  -9.642 -14.719
  299   1H5*    C  29          1H5*        C  29  36.602 -11.335 -16.499
  300   2H5*    C  29          2H5*        C  29  36.228 -12.797 -17.434
  301    H4*    C  29           H4*        C  29  35.114 -11.250 -18.730
  302    H3*    C  29           H3*        C  29  38.003 -11.274 -19.676
  303    H2*    C  29           H2*        C  29  37.488  -9.566 -21.215
  304   2HO*    C  29          2HO*        C  29  35.269  -9.033 -21.687
  305    H1*    C  29           H1*        C  29  35.698  -8.159 -19.654
  306   1H4     C  29          1H4         C  29  41.018  -4.749 -19.260
  307   2H4     C  29          2H4         C  29  41.921  -6.115 -18.646
  308    H5     C  29           H5         C  29  40.961  -8.297 -18.338
  309    H6     C  29           H6         C  29  38.928  -9.649 -18.538
  310   1H5*    C  30          1H5*        C  30  35.043 -10.942 -22.965
  311   2H5*    C  30          2H5*        C  30  35.876 -11.236 -24.505
  312    H4*    C  30           H4*        C  30  35.000  -8.836 -24.016
  313    H3*    C  30           H3*        C  30  37.834  -9.475 -24.893
  314    H2*    C  30           H2*        C  30  38.240  -7.175 -25.041
  315   2HO*    C  30          2HO*        C  30  35.677  -7.099 -25.815
  316    H1*    C  30           H1*        C  30  36.605  -6.441 -22.870
  317   1H4     C  30          1H4         C  30  42.587  -5.801 -20.843
  318   2H4     C  30          2H4         C  30  42.856  -7.525 -20.963
  319    H5     C  30           H5         C  30  41.199  -9.061 -21.812
  320    H6     C  30           H6         C  30  38.946  -9.276 -22.728
  321    H3T    C  30           H3T        C  30  36.947  -8.979 -26.900
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1  38.318   2.113 -25.088
    2   2H5*    G   1          2H5*        G   1  39.216   3.435 -24.316
    3    H4*    G   1           H4*        G   1  36.954   3.465 -23.463
    4    H3*    G   1           H3*        G   1  39.187   2.629 -21.639
    5    H2*    G   1           H2*        G   1  37.709   1.912 -19.900
    6   2HO*    G   1          2HO*        G   1  35.888   3.587 -21.276
    7    H1*    G   1           H1*        G   1  35.818   0.680 -21.385
    8    H8     G   1           H8         G   1  39.495   0.477 -22.576
    9    H1     G   1           H1         G   1  37.562  -4.500 -19.111
   10   1H2     G   1          1H2         G   1  35.505  -4.157 -18.357
   11   2H2     G   1          2H2         G   1  34.608  -2.695 -18.703
   12    H5T    G   1           H5T        G   1  40.536   2.013 -23.579
   13   1H5*    G   2          1H5*        G   2  36.362   4.038 -19.368
   14   2H5*    G   2          2H5*        G   2  36.891   4.974 -17.957
   15    H4*    G   2           H4*        G   2  35.805   2.801 -17.345
   16    H3*    G   2           H3*        G   2  38.655   3.470 -16.614
   17    H2*    G   2           H2*        G   2  39.075   1.326 -15.883
   18   2HO*    G   2          2HO*        G   2  37.407   1.633 -14.237
   19    H1*    G   2           H1*        G   2  36.864  -0.023 -17.130
   20    H8     G   2           H8         G   2  39.704   1.358 -19.171
   21    H1     G   2           H1         G   2  41.083  -4.296 -16.574
   22   1H2     G   2          1H2         G   2  39.453  -4.906 -15.195
   23   2H2     G   2          2H2         G   2  38.035  -3.918 -14.923
   24   1H5*    G   3          1H5*        G   3  35.585   2.806 -13.069
   25   2H5*    G   3          2H5*        G   3  36.270   3.238 -11.489
   26    H4*    G   3           H4*        G   3  35.288   0.880 -11.701
   27    H3*    G   3           H3*        G   3  38.075   1.525 -10.706
   28    H2*    G   3           H2*        G   3  38.560  -0.753 -10.467
   29   2HO*    G   3          2HO*        G   3  36.982  -2.321 -10.220
   30    H1*    G   3           H1*        G   3  37.159  -1.745 -12.616
   31    H8     G   3           H8         G   3  39.138   1.186 -13.737
   32    H1     G   3           H1         G   3  42.783  -3.979 -12.946
   33   1H2     G   3          1H2         G   3  41.666  -5.542 -11.839
   34   2H2     G   3          2H2         G   3  40.017  -5.310 -11.298
   35   1H5*    C   4          1H5*        C   4  36.263  -1.496  -8.757
   36   2H5*    C   4          2H5*        C   4  35.922  -1.173  -7.046
   37    H4*    C   4           H4*        C   4  36.661  -3.409  -7.049
   38    H3*    C   4           H3*        C   4  38.900  -1.481  -6.362
   39    H2*    C   4           H2*        C   4  40.399  -3.322  -6.143
   40   2HO*    C   4          2HO*        C   4  38.236  -5.135  -6.534
   41    H1*    C   4           H1*        C   4  39.657  -4.645  -8.383
   42   1H4     C   4          1H4         C   4  44.288  -0.702 -10.272
   43   2H4     C   4          2H4         C   4  43.192   0.647 -10.201
   44    H5     C   4           H5         C   4  40.956   0.489  -9.416
   45    H6     C   4           H6         C   4  39.229  -0.994  -8.523
   46   1H5*    U   5          1H5*        U   5  38.939  -4.533  -3.544
   47   2H5*    U   5          2H5*        U   5  39.739  -4.119  -2.015
   48    H4*    U   5           H4*        U   5  41.008  -5.784  -3.411
   49    H3*    U   5           H3*        U   5  42.243  -3.083  -2.747
   50    H2*    U   5           H2*        U   5  44.262  -3.916  -3.720
   51   2HO*    U   5          2HO*        U   5  43.771  -6.341  -4.545
   52    H1*    U   5           H1*        U   5  43.081  -5.071  -5.898
   53    H3     U   5           H3         U   5  45.263  -1.476  -7.561
   54    H5     U   5           H5         U   5  41.944   0.182  -5.609
   55    H6     U   5           H6         U   5  41.412  -2.020  -4.754
   56   1H5*    G   6          1H5*        G   6  44.301  -6.191  -2.158
   57   2H5*    G   6          2H5*        G   6  45.521  -6.481  -0.902
   58    H4*    G   6           H4*        G   6  46.455  -6.650  -3.208
   59    H3*    G   6           H3*        G   6  47.440  -4.452  -1.349
   60    H2*    G   6           H2*        G   6  49.044  -3.884  -3.004
   61   2HO*    G   6          2HO*        G   6  49.455  -5.294  -4.787
   62    H1*    G   6           H1*        G   6  47.397  -4.254  -5.199
   63    H8     G   6           H8         G   6  45.314  -2.315  -2.867
   64    H1     G   6           H1         G   6  50.192   1.201  -4.956
   65   1H2     G   6          1H2         G   6  51.649  -0.088  -6.036
   66   2H2     G   6          2H2         G   6  51.431  -1.815  -6.203
   67   1H5*    U   7          1H5*        U   7  50.323  -5.945  -2.521
   68   2H5*    U   7          2H5*        U   7  51.497  -6.986  -1.694
   69    H4*    U   7           H4*        U   7  53.029  -5.507  -2.493
   70    H3*    U   7           H3*        U   7  51.798  -4.045  -0.128
   71    H2*    U   7           H2*        U   7  53.087  -2.148  -0.672
   72   2HO*    U   7          2HO*        U   7  54.965  -3.732  -1.173
   73    H1*    U   7           H1*        U   7  52.872  -2.304  -3.401
   74    H3     U   7           H3         U   7  50.549   1.437  -2.478
   75    H5     U   7           H5         U   7  48.339  -1.551  -0.567
   76    H6     U   7           H6         U   7  50.031  -3.162  -1.208
   77   1H5*    U   8          1H5*        U   8  56.661  -4.067   0.306
   78   2H5*    U   8          2H5*        U   8  56.774  -4.033   2.077
   79    H4*    U   8           H4*        U   8  58.165  -2.281   0.881
   80    H3*    U   8           H3*        U   8  56.063  -1.596   2.962
   81    H2*    U   8           H2*        U   8  56.562   0.705   2.713
   82   2HO*    U   8          2HO*        U   8  58.762   0.130   1.012
   83    H1*    U   8           H1*        U   8  56.804   0.758  -0.005
   84    H3     U   8           H3         U   8  52.980   2.964   1.076
   85    H5     U   8           H5         U   8  51.953  -1.115   1.273
   86    H6     U   8           H6         U   8  54.304  -1.650   0.989
   87   1H5*    U   9          1H5*        U   9  59.657   0.920   3.406
   88   2H5*    U   9          2H5*        U   9  59.856   1.261   5.135
   89    H4*    U   9           H4*        U   9  59.538   3.268   3.512
   90    H3*    U   9           H3*        U   9  57.966   2.846   6.083
   91    H2*    U   9           H2*        U   9  56.886   4.901   5.705
   92   2HO*    U   9          2HO*        U   9  58.744   5.583   3.661
   93    H1*    U   9           H1*        U   9  56.839   4.764   2.897
   94    H3     U   9           H3         U   9  52.556   5.258   4.422
   95    H5     U   9           H5         U   9  53.495   1.191   5.040
   96    H6     U   9           H6         U   9  55.787   1.696   4.451
   97   1H5*    U  10          1H5*        U  10  60.701   6.413   7.464
   98   2H5*    U  10          2H5*        U  10  60.491   6.296   9.222
   99    H4*    U  10           H4*        U  10  59.503   8.362   7.954
  100    H3*    U  10           H3*        U  10  57.975   6.685   9.991
  101    H2*    U  10           H2*        U  10  56.236   8.275   9.798
  102   2HO*    U  10          2HO*        U  10  56.873  10.275   8.424
  103    H1*    U  10           H1*        U  10  56.599   8.800   7.060
  104    H3     U  10           H3         U  10  52.317   7.401   7.800
  105    H5     U  10           H5         U  10  54.636   3.885   7.964
  106    H6     U  10           H6         U  10  56.626   5.273   7.844
  107   1H5*    U  11          1H5*        U  11  57.608  11.029  11.155
  108   2H5*    U  11          2H5*        U  11  57.740  10.973  12.924
  109    H4*    U  11           H4*        U  11  55.660  12.121  12.067
  110    H3*    U  11           H3*        U  11  55.488   9.663  13.852
  111    H2*    U  11           H2*        U  11  53.138   9.923  13.861
  112   2HO*    U  11          2HO*        U  11  53.564  12.540  12.798
  113    H1*    U  11           H1*        U  11  52.852  10.774  11.246
  114    H3     U  11           H3         U  11  50.554   6.878  11.565
  115    H5     U  11           H5         U  11  54.599   5.709  11.548
  116    H6     U  11           H6         U  11  55.210   8.044  11.639
  117   1H5*    C  12          1H5*        C  12  53.348  12.964  16.313
  118   2H5*    C  12          2H5*        C  12  53.453  12.312  17.960
  119    H4*    C  12           H4*        C  12  51.095  12.608  16.968
  120    H3*    C  12           H3*        C  12  52.133   9.999  18.148
  121    H2*    C  12           H2*        C  12  49.982   9.075  17.824
  122   2HO*    C  12          2HO*        C  12  49.149  11.793  17.605
  123    H1*    C  12           H1*        C  12  49.432  10.319  15.395
  124   1H4     C  12          1H4         C  12  51.086   4.273  14.307
  125   2H4     C  12          2H4         C  12  52.770   4.677  14.500
  126    H5     C  12           H5         C  12  53.530   6.863  15.133
  127    H6     C  12           H6         C  12  52.842   9.109  15.741
  128   1H5*    U  13          1H5*        U  13  50.264   7.970  21.351
  129   2H5*    U  13          2H5*        U  13  50.877   8.030  19.686
  130    H4*    U  13           H4*        U  13  47.939   7.994  19.768
  131    H3*    U  13           H3*        U  13  49.503   5.843  21.242
  132    H2*    U  13           H2*        U  13  48.200   4.197  20.210
  133   2HO*    U  13          2HO*        U  13  46.154   5.882  19.328
  134    H1*    U  13           H1*        U  13  47.486   5.698  17.881
  135    H3     U  13           H3         U  13  48.761   1.315  17.043
  136    H5     U  13           H5         U  13  52.276   3.653  17.000
  137    H6     U  13           H6         U  13  50.993   5.485  17.904
  138   1H5*    C  14          1H5*        C  14  45.893   4.940  21.388
  139   2H5*    C  14          2H5*        C  14  45.033   4.824  22.935
  140    H4*    C  14           H4*        C  14  44.477   2.829  21.817
  141    H3*    C  14           H3*        C  14  46.670   2.502  23.864
  142    H2*    C  14           H2*        C  14  47.081   0.275  23.241
  143   2HO*    C  14          2HO*        C  14  45.373  -0.926  22.924
  144    H1*    C  14           H1*        C  14  46.694   0.474  20.529
  145   1H4     C  14          1H4         C  14  52.986   0.890  21.290
  146   2H4     C  14          2H4         C  14  52.828   2.509  21.932
  147    H5     C  14           H5         C  14  50.699   3.574  22.325
  148    H6     C  14           H6         C  14  48.262   3.304  22.175
  149   1H5*    G  15          1H5*        G  15  45.699  -0.754  27.544
  150   2H5*    G  15          2H5*        G  15  46.716   0.548  26.892
  151    H4*    G  15           H4*        G  15  46.328  -2.094  25.452
  152    H3*    G  15           H3*        G  15  47.561  -2.026  27.908
  153    H2*    G  15           H2*        G  15  49.066  -0.228  27.327
  154   2HO*    G  15          2HO*        G  15  50.257  -2.771  26.843
  155    H1*    G  15           H1*        G  15  49.600  -1.684  24.724
  156    H8     G  15           H8         G  15  51.446  -0.294  23.649
  157    H1     G  15           H1         G  15  49.463   5.179  26.246
  158   1H2     G  15          1H2         G  15  47.676   4.812  27.508
  159   2H2     G  15          2H2         G  15  46.979   3.221  27.704
  160   1H5*    C  16          1H5*        C  16  45.607  -4.610  23.013
  161   2H5*    C  16          2H5*        C  16  47.069  -5.438  23.588
  162    H4*    C  16           H4*        C  16  46.859  -2.924  21.912
  163    H3*    C  16           H3*        C  16  47.557  -5.705  21.431
  164    H2*    C  16           H2*        C  16  49.852  -5.475  21.723
  165   2HO*    C  16          2HO*        C  16  49.500  -5.162  19.367
  166    H1*    C  16           H1*        C  16  49.795  -2.486  21.389
  167   1H4     C  16          1H4         C  16  55.244  -3.298  24.574
  168   2H4     C  16          2H4         C  16  54.523  -4.527  25.590
  169    H5     C  16           H5         C  16  52.239  -5.276  25.342
  170    H6     C  16           H6         C  16  50.169  -4.995  24.072
  171   1H5*    U  17          1H5*        U  17  46.563  -4.367  16.382
  172   2H5*    U  17          2H5*        U  17  47.982  -5.135  15.647
  173    H4*    U  17           H4*        U  17  47.487  -2.301  16.287
  174    H3*    U  17           H3*        U  17  48.986  -3.898  14.295
  175    H2*    U  17           H2*        U  17  51.067  -3.059  14.839
  176   2HO*    U  17          2HO*        U  17  50.693  -0.424  14.909
  177    H1*    U  17           H1*        U  17  50.039  -0.954  16.677
  178    H3     U  17           H3         U  17  54.678  -1.173  16.837
  179    H5     U  17           H5         U  17  53.213  -4.284  19.263
  180    H6     U  17           H6         U  17  50.986  -3.861  18.342
  181   1H5*    G  18          1H5*        G  18  44.838  -2.856  13.364
  182   2H5*    G  18          2H5*        G  18  44.427  -2.114  11.804
  183    H4*    G  18           H4*        G  18  42.919  -1.343  13.608
  184    H3*    G  18           H3*        G  18  44.619   0.506  12.012
  185    H2*    G  18           H2*        G  18  44.551   2.326  13.492
  186   2HO*    G  18          2HO*        G  18  42.421   1.265  15.017
  187    H1*    G  18           H1*        G  18  44.448   1.090  15.927
  188    H8     G  18           H8         G  18  46.973  -1.016  14.608
  189    H1     G  18           H1         G  18  49.241   4.918  14.775
  190   1H2     G  18          1H2         G  18  47.575   6.367  15.036
  191   2H2     G  18          2H2         G  18  45.904   5.867  15.173
  192   1H5*    A  19          1H5*        A  19  41.614   2.834  12.666
  193   2H5*    A  19          2H5*        A  19  40.367   2.949  11.409
  194    H4*    A  19           H4*        A  19  40.614   5.192  11.817
  195    H3*    A  19           H3*        A  19  42.816   4.452   9.862
  196    H2*    A  19           H2*        A  19  43.569   6.726   9.924
  197   2HO*    A  19          2HO*        A  19  41.092   7.150  11.261
  198    H1*    A  19           H1*        A  19  43.627   6.916  12.598
  199    H8     A  19           H8         A  19  44.198   3.327  11.522
  200   1H6     A  19          1H6         A  19  50.189   4.675  11.227
  201   2H6     A  19          2H6         A  19  49.004   3.389  11.173
  202    H2     A  19           H2         A  19  47.916   8.502  11.820
  203   1H5*    C  20          1H5*        C  20  41.671   7.959   8.723
  204   2H5*    C  20          2H5*        C  20  41.855   8.277   6.988
  205    H4*    C  20           H4*        C  20  43.454   9.539   8.517
  206    H3*    C  20           H3*        C  20  44.510   7.685   6.340
  207    H2*    C  20           H2*        C  20  46.656   8.580   6.832
  208   2HO*    C  20          2HO*        C  20  45.339  10.613   8.354
  209    H1*    C  20           H1*        C  20  46.213   8.799   9.596
  210   1H4     C  20          1H4         C  20  50.181   3.960   8.422
  211   2H4     C  20          2H4         C  20  48.821   2.869   8.585
  212    H5     C  20           H5         C  20  46.533   3.636   8.796
  213    H6     C  20           H6         C  20  45.070   5.604   8.877
  214   1H5*    U  21          1H5*        U  21  45.791  11.351   4.755
  215   2H5*    U  21          2H5*        U  21  45.971  11.252   2.991
  216    H4*    U  21           H4*        U  21  48.131  11.253   4.429
  217    H3*    U  21           H3*        U  21  47.419   9.411   2.155
  218    H2*    U  21           H2*        U  21  49.039   7.877   2.702
  219   2HO*    U  21          2HO*        U  21  50.960   9.417   3.854
  220    H1*    U  21           H1*        U  21  49.783   9.014   5.304
  221    H3     U  21           H3         U  21  50.627   4.521   5.427
  222    H5     U  21           H5         U  21  46.439   4.895   5.654
  223    H6     U  21           H6         U  21  46.695   7.252   5.130
  224   1H5*    U  22          1H5*        U  22  51.741  11.190   1.507
  225   2H5*    U  22          2H5*        U  22  51.879  11.353  -0.255
  226    H4*    U  22           H4*        U  22  53.801  10.129   0.800
  227    H3*    U  22           H3*        U  22  52.035   8.857  -1.306
  228    H2*    U  22           H2*        U  22  53.259   6.848  -1.166
  229   2HO*    U  22          2HO*        U  22  55.247   8.343   0.239
  230    H1*    U  22           H1*        U  22  53.714   6.806   1.539
  231    H3     U  22           H3         U  22  50.955   3.332   0.398
  232    H5     U  22           H5         U  22  48.440   6.659   0.970
  233    H6     U  22           H6         U  22  50.431   8.038   1.082
  234   1H5*    U  23          1H5*        U  23  56.473   8.389  -2.528
  235   2H5*    U  23          2H5*        U  23  56.471   8.977  -4.202
  236    H4*    U  23           H4*        U  23  57.680   6.890  -4.169
  237    H3*    U  23           H3*        U  23  54.898   6.805  -5.363
  238    H2*    U  23           H2*        U  23  55.115   4.491  -5.753
  239   2HO*    U  23          2HO*        U  23  57.609   5.118  -6.263
  240    H1*    U  23           H1*        U  23  56.503   3.799  -3.500
  241    H3     U  23           H3         U  23  52.592   1.687  -2.815
  242    H5     U  23           H5         U  23  51.573   5.764  -2.490
  243    H6     U  23           H6         U  23  53.834   6.318  -3.184
  244   1H5*    C  24          1H5*        C  24  57.539   5.097  -8.810
  245   2H5*    C  24          2H5*        C  24  56.530   5.485 -10.218
  246    H4*    C  24           H4*        C  24  56.957   2.999  -9.781
  247    H3*    C  24           H3*        C  24  54.176   4.205 -10.041
  248    H2*    C  24           H2*        C  24  53.270   2.018  -9.855
  249   2HO*    C  24          2HO*        C  24  55.903   0.932 -10.047
  250    H1*    C  24           H1*        C  24  54.993   1.094  -7.907
  251   1H4     C  24          1H4         C  24  49.632   2.876  -4.956
  252   2H4     C  24          2H4         C  24  50.078   4.558  -5.119
  253    H5     C  24           H5         C  24  52.034   5.299  -6.301
  254    H6     C  24           H6         C  24  53.999   4.588  -7.581
  255   1H5*    A  25          1H5*        A  25  55.029   0.842 -12.198
  256   2H5*    A  25          2H5*        A  25  54.080   0.407 -13.633
  257    H4*    A  25           H4*        A  25  53.993  -1.126 -11.493
  258    H3*    A  25           H3*        A  25  51.685  -0.225 -13.239
  259    H2*    A  25           H2*        A  25  50.160  -1.283 -11.839
  260   2HO*    A  25          2HO*        A  25  51.645  -2.850 -10.249
  261    H1*    A  25           H1*        A  25  51.640  -1.138  -9.429
  262    H8     A  25           H8         A  25  51.107   2.253 -10.709
  263   1H6     A  25          1H6         A  25  45.390   2.039  -8.370
  264   2H6     A  25          2H6         A  25  46.623   3.094  -9.030
  265    H2     A  25           H2         A  25  47.072  -2.122  -8.410
  266   1H5*    G  26          1H5*        G  26  52.857  -5.122 -13.220
  267   2H5*    G  26          2H5*        G  26  51.797  -5.787 -14.477
  268    H4*    G  26           H4*        G  26  51.908  -7.114 -12.303
  269    H3*    G  26           H3*        G  26  49.327  -6.106 -13.540
  270    H2*    G  26           H2*        G  26  48.099  -7.132 -11.765
  271   2HO*    G  26          2HO*        G  26  48.834  -8.868 -10.785
  272    H1*    G  26           H1*        G  26  49.636  -6.278  -9.741
  273    H8     G  26           H8         G  26  49.914  -3.432 -11.932
  274    H1     G  26           H1         G  26  43.965  -3.845  -9.762
  275   1H2     G  26          1H2         G  26  43.624  -5.845  -8.850
  276   2H2     G  26          2H2         G  26  44.868  -7.072  -8.781
  277   1H5*    C  27          1H5*        C  27  48.912 -10.110 -12.714
  278   2H5*    C  27          2H5*        C  27  48.107 -11.113 -13.936
  279    H4*    C  27           H4*        C  27  46.941 -11.288 -11.785
  280    H3*    C  27           H3*        C  27  45.529  -9.867 -14.069
  281    H2*    C  27           H2*        C  27  43.599  -9.636 -12.639
  282   2HO*    C  27          2HO*        C  27  44.982 -11.558 -11.104
  283    H1*    C  27           H1*        C  27  44.915  -8.644 -10.549
  284   1H4     C  27          1H4         C  27  43.955  -3.498 -14.151
  285   2H4     C  27          2H4         C  27  45.491  -3.782 -14.936
  286    H5     C  27           H5         C  27  46.816  -5.748 -14.562
  287    H6     C  27           H6         C  27  46.972  -7.871 -13.382
  288   1H5*    C  28          1H5*        C  28  43.079 -11.975 -12.569
  289   2H5*    C  28          2H5*        C  28  41.937 -13.040 -13.411
  290    H4*    C  28           H4*        C  28  40.610 -11.384 -12.312
  291    H3*    C  28           H3*        C  28  40.995 -10.786 -15.277
  292    H2*    C  28           H2*        C  28  39.435  -9.001 -14.993
  293   2HO*    C  28          2HO*        C  28  38.941  -9.688 -12.293
  294    H1*    C  28           H1*        C  28  40.459  -8.109 -12.595
  295   1H4     C  28          1H4         C  28  43.025  -4.568 -17.230
  296   2H4     C  28          2H4         C  28  44.338  -5.717 -17.362
  297    H5     C  28           H5         C  28  44.387  -7.812 -16.146
  298    H6     C  28           H6         C  28  43.195  -9.241 -14.602
  299   1H5*    C  29          1H5*        C  29  37.171 -10.908 -14.406
  300   2H5*    C  29          2H5*        C  29  36.208 -12.321 -14.887
  301    H4*    C  29           H4*        C  29  34.662 -10.661 -15.296
  302    H3*    C  29           H3*        C  29  36.359 -10.973 -17.793
  303    H2*    C  29           H2*        C  29  35.188  -9.183 -18.810
  304   2HO*    C  29          2HO*        C  29  33.390  -8.755 -16.726
  305    H1*    C  29           H1*        C  29  35.091  -7.515 -16.670
  306   1H4     C  29          1H4         C  29  40.281  -5.705 -19.844
  307   2H4     C  29          2H4         C  29  41.079  -7.223 -19.505
  308    H5     C  29           H5         C  29  40.035  -9.018 -18.307
  309    H6     C  29           H6         C  29  38.009  -9.761 -17.156
  310   1H5*    C  30          1H5*        C  30  32.326  -9.948 -18.772
  311   2H5*    C  30          2H5*        C  30  32.025 -10.374 -20.467
  312    H4*    C  30           H4*        C  30  32.132  -7.858 -19.836
  313    H3*    C  30           H3*        C  30  33.771  -9.080 -22.080
  314    H2*    C  30           H2*        C  30  34.374  -6.891 -22.677
  315   2HO*    C  30          2HO*        C  30  33.248  -5.062 -21.806
  316    H1*    C  30           H1*        C  30  34.511  -5.928 -20.042
  317   1H4     C  30          1H4         C  30  40.481  -6.595 -22.114
  318   2H4     C  30          2H4         C  30  40.355  -8.337 -22.003
  319    H5     C  30           H5         C  30  38.311  -9.473 -21.401
  320    H6     C  30           H6         C  30  35.969  -9.194 -20.795
  321    H3T    C  30           H3T        C  30  31.766  -7.557 -22.886
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1  37.164   2.464 -24.303
    2   2H5*    G   1          2H5*        G   1  37.915   3.984 -23.777
    3    H4*    G   1           H4*        G   1  35.855   3.986 -22.650
    4    H3*    G   1           H3*        G   1  38.174   3.093 -20.971
    5    H2*    G   1           H2*        G   1  36.792   2.334 -19.173
    6   2HO*    G   1          2HO*        G   1  34.394   2.863 -19.443
    7    H1*    G   1           H1*        G   1  34.813   1.154 -20.576
    8    H8     G   1           H8         G   1  38.415   0.963 -21.984
    9    H1     G   1           H1         G   1  36.605  -4.133 -18.625
   10   1H2     G   1          1H2         G   1  34.610  -3.782 -17.721
   11   2H2     G   1          2H2         G   1  33.724  -2.290 -17.944
   12    H5T    G   1           H5T        G   1  39.364   2.912 -22.665
   13   1H5*    G   2          1H5*        G   2  35.612   4.582 -18.627
   14   2H5*    G   2          2H5*        G   2  36.118   5.551 -17.230
   15    H4*    G   2           H4*        G   2  35.103   3.404 -16.523
   16    H3*    G   2           H3*        G   2  38.001   4.025 -15.967
   17    H2*    G   2           H2*        G   2  38.438   1.878 -15.265
   18   2HO*    G   2          2HO*        G   2  35.723   1.748 -14.375
   19    H1*    G   2           H1*        G   2  36.114   0.566 -16.343
   20    H8     G   2           H8         G   2  38.845   1.843 -18.597
   21    H1     G   2           H1         G   2  40.263  -3.798 -15.984
   22   1H2     G   2          1H2         G   2  38.711  -4.350 -14.500
   23   2H2     G   2          2H2         G   2  37.333  -3.328 -14.158
   24   1H5*    G   3          1H5*        G   3  35.442   3.196 -11.944
   25   2H5*    G   3          2H5*        G   3  36.496   3.699 -10.608
   26    H4*    G   3           H4*        G   3  35.559   1.259 -10.640
   27    H3*    G   3           H3*        G   3  38.380   2.169 -10.032
   28    H2*    G   3           H2*        G   3  39.156  -0.004  -9.948
   29   2HO*    G   3          2HO*        G   3  36.521  -1.032  -9.656
   30    H1*    G   3           H1*        G   3  37.377  -1.239 -11.708
   31    H8     G   3           H8         G   3  39.109   1.706 -13.194
   32    H1     G   3           H1         G   3  42.799  -3.491 -13.053
   33   1H2     G   3          1H2         G   3  41.860  -5.045 -11.781
   34   2H2     G   3          2H2         G   3  40.326  -4.800 -10.976
   35   1H5*    C   4          1H5*        C   4  36.596  -0.653  -7.819
   36   2H5*    C   4          2H5*        C   4  36.425  -0.554  -6.055
   37    H4*    C   4           H4*        C   4  36.938  -2.825  -6.457
   38    H3*    C   4           H3*        C   4  39.401  -1.224  -5.678
   39    H2*    C   4           H2*        C   4  40.691  -3.224  -5.802
   40   2HO*    C   4          2HO*        C   4  39.650  -5.276  -6.070
   41    H1*    C   4           H1*        C   4  39.642  -4.165  -8.128
   42   1H4     C   4          1H4         C   4  44.719  -0.659  -9.758
   43   2H4     C   4          2H4         C   4  43.765   0.791  -9.609
   44    H5     C   4           H5         C   4  41.529   0.816  -8.817
   45    H6     C   4           H6         C   4  39.659  -0.518  -7.998
   46   1H5*    U   5          1H5*        U   5  39.370  -4.659  -3.169
   47   2H5*    U   5          2H5*        U   5  40.341  -4.377  -1.711
   48    H4*    U   5           H4*        U   5  41.307  -6.061  -3.351
   49    H3*    U   5           H3*        U   5  42.845  -3.565  -2.520
   50    H2*    U   5           H2*        U   5  44.713  -4.471  -3.708
   51   2HO*    U   5          2HO*        U   5  44.937  -6.574  -3.606
   52    H1*    U   5           H1*        U   5  43.308  -5.247  -5.910
   53    H3     U   5           H3         U   5  45.711  -1.643  -7.234
   54    H5     U   5           H5         U   5  42.604  -0.004  -4.947
   55    H6     U   5           H6         U   5  41.939  -2.250  -4.336
   56   1H5*    G   6          1H5*        G   6  44.936  -7.050  -1.885
   57   2H5*    G   6          2H5*        G   6  46.279  -7.038  -0.725
   58    H4*    G   6           H4*        G   6  46.877  -7.379  -3.208
   59    H3*    G   6           H3*        G   6  48.128  -5.248  -1.429
   60    H2*    G   6           H2*        G   6  49.583  -4.716  -3.236
   61   2HO*    G   6          2HO*        G   6  48.953  -7.318  -4.007
   62    H1*    G   6           H1*        G   6  47.696  -4.877  -5.227
   63    H8     G   6           H8         G   6  45.861  -3.057  -2.643
   64    H1     G   6           H1         G   6  50.744   0.451  -4.734
   65   1H2     G   6          1H2         G   6  52.099  -0.805  -5.975
   66   2H2     G   6          2H2         G   6  51.813  -2.508  -6.253
   67   1H5*    U   7          1H5*        U   7  50.842  -6.775  -2.934
   68   2H5*    U   7          2H5*        U   7  52.023  -7.908  -2.249
   69    H4*    U   7           H4*        U   7  53.562  -6.500  -3.156
   70    H3*    U   7           H3*        U   7  52.655  -5.034  -0.652
   71    H2*    U   7           H2*        U   7  54.069  -3.217  -1.277
   72   2HO*    U   7          2HO*        U   7  55.569  -5.093  -2.319
   73    H1*    U   7           H1*        U   7  53.390  -3.155  -3.902
   74    H3     U   7           H3         U   7  51.233   0.460  -2.311
   75    H5     U   7           H5         U   7  49.168  -2.742  -0.578
   76    H6     U   7           H6         U   7  50.802  -4.255  -1.523
   77   1H5*    U   8          1H5*        U   8  57.209  -4.715  -0.219
   78   2H5*    U   8          2H5*        U   8  57.371  -4.853   1.543
   79    H4*    U   8           H4*        U   8  58.307  -2.716   0.611
   80    H3*    U   8           H3*        U   8  55.957  -2.589   2.554
   81    H2*    U   8           H2*        U   8  56.209  -0.244   2.535
   82   2HO*    U   8          2HO*        U   8  58.375   0.315   1.168
   83    H1*    U   8           H1*        U   8  57.004  -0.033  -0.156
   84    H3     U   8           H3         U   8  53.316   2.550   0.256
   85    H5     U   8           H5         U   8  51.850  -1.398   0.449
   86    H6     U   8           H6         U   8  54.147  -2.166   0.530
   87   1H5*    U   9          1H5*        U   9  59.630  -0.107   3.420
   88   2H5*    U   9          2H5*        U   9  59.702   0.227   5.160
   89    H4*    U   9           H4*        U   9  59.741   2.241   3.519
   90    H3*    U   9           H3*        U   9  57.848   2.028   5.898
   91    H2*    U   9           H2*        U   9  57.192   4.258   5.430
   92   2HO*    U   9          2HO*        U   9  58.948   5.441   5.038
   93    H1*    U   9           H1*        U   9  57.245   4.004   2.653
   94    H3     U   9           H3         U   9  52.975   4.957   4.027
   95    H5     U   9           H5         U   9  53.463   0.813   4.662
   96    H6     U   9           H6         U   9  55.817   1.080   4.165
   97   1H5*    U  10          1H5*        U  10  60.938   5.132   7.671
   98   2H5*    U  10          2H5*        U  10  60.475   5.069   9.383
   99    H4*    U  10           H4*        U  10  60.016   7.250   7.962
  100    H3*    U  10           H3*        U  10  58.075   5.925   9.903
  101    H2*    U  10           H2*        U  10  56.616   7.753   9.508
  102   2HO*    U  10          2HO*        U  10  59.004   9.026   8.763
  103    H1*    U  10           H1*        U  10  57.165   8.021   6.793
  104    H3     U  10           H3         U  10  52.750   7.046   7.567
  105    H5     U  10           H5         U  10  54.744   3.336   7.657
  106    H6     U  10           H6         U  10  56.850   4.542   7.582
  107   1H5*    U  11          1H5*        U  11  58.090  10.275  10.645
  108   2H5*    U  11          2H5*        U  11  58.215  10.413  12.409
  109    H4*    U  11           H4*        U  11  56.288  11.698  11.463
  110    H3*    U  11           H3*        U  11  55.803   9.395  13.387
  111    H2*    U  11           H2*        U  11  53.492   9.848  13.282
  112   2HO*    U  11          2HO*        U  11  52.993  11.973  11.999
  113    H1*    U  11           H1*        U  11  53.353  10.590  10.627
  114    H3     U  11           H3         U  11  50.704   6.938  10.966
  115    H5     U  11           H5         U  11  54.622   5.409  11.194
  116    H6     U  11           H6         U  11  55.438   7.681  11.266
  117   1H5*    C  12          1H5*        C  12  53.903  12.976  15.686
  118   2H5*    C  12          2H5*        C  12  53.880  12.322  17.335
  119    H4*    C  12           H4*        C  12  51.603  12.807  16.209
  120    H3*    C  12           H3*        C  12  52.348  10.149  17.499
  121    H2*    C  12           H2*        C  12  50.134   9.423  17.100
  122   2HO*    C  12          2HO*        C  12  48.662  10.890  17.536
  123    H1*    C  12           H1*        C  12  49.834  10.618  14.608
  124   1H4     C  12          1H4         C  12  51.010   4.410  13.829
  125   2H4     C  12          2H4         C  12  52.710   4.674  14.114
  126    H5     C  12           H5         C  12  53.624   6.812  14.709
  127    H6     C  12           H6         C  12  53.102   9.136  15.192
  128   1H5*    U  13          1H5*        U  13  49.810   8.777  21.156
  129   2H5*    U  13          2H5*        U  13  50.751   8.140  19.792
  130    H4*    U  13           H4*        U  13  47.747   8.502  19.558
  131    H3*    U  13           H3*        U  13  49.276   6.234  20.907
  132    H2*    U  13           H2*        U  13  47.757   4.721  19.949
  133   2HO*    U  13          2HO*        U  13  46.017   6.973  19.816
  134    H1*    U  13           H1*        U  13  47.179   6.256  17.624
  135    H3     U  13           H3         U  13  48.224   1.796  16.870
  136    H5     U  13           H5         U  13  51.863   3.932  16.825
  137    H6     U  13           H6         U  13  50.673   5.857  17.668
  138   1H5*    C  14          1H5*        C  14  45.540   5.513  21.188
  139   2H5*    C  14          2H5*        C  14  44.847   5.366  22.816
  140    H4*    C  14           H4*        C  14  44.061   3.495  21.548
  141    H3*    C  14           H3*        C  14  46.201   2.930  23.601
  142    H2*    C  14           H2*        C  14  46.390   0.675  22.937
  143   2HO*    C  14          2HO*        C  14  44.752  -0.428  22.042
  144    H1*    C  14           H1*        C  14  46.169   0.992  20.236
  145   1H4     C  14          1H4         C  14  52.421   1.026  21.413
  146   2H4     C  14          2H4         C  14  52.326   2.685  21.959
  147    H5     C  14           H5         C  14  50.248   3.892  22.162
  148    H6     C  14           H6         C  14  47.814   3.761  21.879
  149   1H5*    G  15          1H5*        G  15  44.965  -0.042  27.384
  150   2H5*    G  15          2H5*        G  15  46.084   1.115  26.634
  151    H4*    G  15           H4*        G  15  45.406  -1.522  25.310
  152    H3*    G  15           H3*        G  15  46.597  -1.571  27.776
  153    H2*    G  15           H2*        G  15  48.278   0.075  27.226
  154   2HO*    G  15          2HO*        G  15  49.053  -2.406  27.589
  155    H1*    G  15           H1*        G  15  48.776  -1.444  24.655
  156    H8     G  15           H8         G  15  50.755  -0.201  23.641
  157    H1     G  15           H1         G  15  49.086   5.419  26.134
  158   1H2     G  15          1H2         G  15  47.227   5.195  27.319
  159   2H2     G  15          2H2         G  15  46.405   3.662  27.488
  160   1H5*    C  16          1H5*        C  16  44.627  -4.061  22.797
  161   2H5*    C  16          2H5*        C  16  46.013  -4.952  23.458
  162    H4*    C  16           H4*        C  16  46.017  -2.452  21.746
  163    H3*    C  16           H3*        C  16  46.656  -5.284  21.364
  164    H2*    C  16           H2*        C  16  48.951  -5.056  21.651
  165   2HO*    C  16          2HO*        C  16  49.943  -4.395  19.825
  166    H1*    C  16           H1*        C  16  48.861  -2.066  21.293
  167   1H4     C  16          1H4         C  16  54.355  -2.751  24.431
  168   2H4     C  16          2H4         C  16  53.663  -3.968  25.479
  169    H5     C  16           H5         C  16  51.380  -4.761  25.262
  170    H6     C  16           H6         C  16  49.297  -4.529  24.007
  171   1H5*    U  17          1H5*        U  17  46.004  -4.102  16.196
  172   2H5*    U  17          2H5*        U  17  47.511  -4.840  15.621
  173    H4*    U  17           H4*        U  17  46.877  -2.001  16.182
  174    H3*    U  17           H3*        U  17  48.437  -3.571  14.241
  175    H2*    U  17           H2*        U  17  50.504  -2.739  14.849
  176   2HO*    U  17          2HO*        U  17  50.139  -0.104  14.825
  177    H1*    U  17           H1*        U  17  49.411  -0.590  16.605
  178    H3     U  17           H3         U  17  54.061  -0.826  16.917
  179    H5     U  17           H5         U  17  52.466  -3.826  19.402
  180    H6     U  17           H6         U  17  50.289  -3.419  18.380
  181   1H5*    G  18          1H5*        G  18  44.530  -2.257  12.759
  182   2H5*    G  18          2H5*        G  18  44.390  -1.561  11.131
  183    H4*    G  18           H4*        G  18  42.688  -0.619  12.644
  184    H3*    G  18           H3*        G  18  44.766   1.078  11.340
  185    H2*    G  18           H2*        G  18  44.516   2.945  12.752
  186   2HO*    G  18          2HO*        G  18  41.927   1.969  12.894
  187    H1*    G  18           H1*        G  18  44.045   1.759  15.150
  188    H8     G  18           H8         G  18  46.551  -0.554  14.309
  189    H1     G  18           H1         G  18  49.213   5.217  14.253
  190   1H2     G  18          1H2         G  18  47.642   6.786  14.206
  191   2H2     G  18          2H2         G  18  45.934   6.409  14.191
  192   1H5*    A  19          1H5*        A  19  41.793   3.517  11.587
  193   2H5*    A  19          2H5*        A  19  40.660   3.567  10.221
  194    H4*    A  19           H4*        A  19  40.727   5.819  10.645
  195    H3*    A  19           H3*        A  19  43.078   5.164   8.864
  196    H2*    A  19           H2*        A  19  43.943   7.374   9.078
  197   2HO*    A  19          2HO*        A  19  41.323   7.914   9.794
  198    H1*    A  19           H1*        A  19  43.806   7.526  11.731
  199    H8     A  19           H8         A  19  44.117   3.879  10.773
  200   1H6     A  19          1H6         A  19  50.216   4.674  10.766
  201   2H6     A  19          2H6         A  19  48.925   3.496  10.682
  202    H2     A  19           H2         A  19  48.280   8.704  11.134
  203   1H5*    C  20          1H5*        C  20  42.168   8.679   7.671
  204   2H5*    C  20          2H5*        C  20  42.511   9.016   5.964
  205    H4*    C  20           H4*        C  20  44.079  10.120   7.635
  206    H3*    C  20           H3*        C  20  45.155   8.215   5.511
  207    H2*    C  20           H2*        C  20  47.321   8.902   6.197
  208   2HO*    C  20          2HO*        C  20  46.145  11.233   6.529
  209    H1*    C  20           H1*        C  20  46.676   9.125   8.918
  210   1H4     C  20          1H4         C  20  50.269   3.949   7.943
  211   2H4     C  20          2H4         C  20  48.805   2.989   7.992
  212    H5     C  20           H5         C  20  46.591   3.963   8.059
  213    H6     C  20           H6         C  20  45.311   6.057   8.070
  214   1H5*    U  21          1H5*        U  21  46.898  11.755   4.148
  215   2H5*    U  21          2H5*        U  21  47.224  11.689   2.404
  216    H4*    U  21           H4*        U  21  49.230  11.413   4.039
  217    H3*    U  21           H3*        U  21  48.563   9.770   1.605
  218    H2*    U  21           H2*        U  21  49.940   8.036   2.226
  219   2HO*    U  21          2HO*        U  21  52.021   8.450   2.434
  220    H1*    U  21           H1*        U  21  50.568   9.003   4.929
  221    H3     U  21           H3         U  21  50.978   4.434   4.922
  222    H5     U  21           H5         U  21  46.843   5.234   4.959
  223    H6     U  21           H6         U  21  47.363   7.561   4.502
  224   1H5*    U  22          1H5*        U  22  53.161  10.985   1.168
  225   2H5*    U  22          2H5*        U  22  53.396  10.826  -0.584
  226    H4*    U  22           H4*        U  22  54.877   9.363   0.940
  227    H3*    U  22           H3*        U  22  53.216   8.313  -1.377
  228    H2*    U  22           H2*        U  22  54.040   6.150  -0.950
  229   2HO*    U  22          2HO*        U  22  55.983   7.138   0.866
  230    H1*    U  22           H1*        U  22  54.162   6.317   1.825
  231    H3     U  22           H3         U  22  51.245   2.981   0.799
  232    H5     U  22           H5         U  22  49.087   6.537   0.147
  233    H6     U  22           H6         U  22  51.156   7.758   0.474
  234   1H5*    U  23          1H5*        U  23  57.334   7.186  -2.051
  235   2H5*    U  23          2H5*        U  23  57.922   7.866  -3.583
  236    H4*    U  23           H4*        U  23  58.638   5.664  -3.788
  237    H3*    U  23           H3*        U  23  55.848   5.901  -4.958
  238    H2*    U  23           H2*        U  23  55.859   3.592  -5.414
  239   2HO*    U  23          2HO*        U  23  58.593   4.013  -5.535
  240    H1*    U  23           H1*        U  23  57.274   2.743  -3.208
  241    H3     U  23           H3         U  23  53.334   0.710  -2.496
  242    H5     U  23           H5         U  23  52.386   4.804  -2.160
  243    H6     U  23           H6         U  23  54.658   5.323  -2.848
  244   1H5*    C  24          1H5*        C  24  58.273   4.092  -8.505
  245   2H5*    C  24          2H5*        C  24  57.328   4.692  -9.881
  246    H4*    C  24           H4*        C  24  57.454   2.166  -9.687
  247    H3*    C  24           H3*        C  24  54.804   3.659  -9.685
  248    H2*    C  24           H2*        C  24  53.686   1.567  -9.642
  249   2HO*    C  24          2HO*        C  24  56.154   0.640 -10.644
  250    H1*    C  24           H1*        C  24  55.414   0.282  -7.909
  251   1H4     C  24          1H4         C  24  50.417   2.167  -4.446
  252   2H4     C  24          2H4         C  24  50.973   3.823  -4.500
  253    H5     C  24           H5         C  24  52.900   4.531  -5.748
  254    H6     C  24           H6         C  24  54.725   3.804  -7.215
  255   1H5*    A  25          1H5*        A  25  55.336   0.495 -12.228
  256   2H5*    A  25          2H5*        A  25  54.308   0.219 -13.649
  257    H4*    A  25           H4*        A  25  54.247  -1.477 -11.629
  258    H3*    A  25           H3*        A  25  51.945  -0.370 -13.248
  259    H2*    A  25           H2*        A  25  50.379  -1.347 -11.849
  260   2HO*    A  25          2HO*        A  25  52.106  -3.184 -10.636
  261    H1*    A  25           H1*        A  25  51.966  -1.556  -9.494
  262    H8     A  25           H8         A  25  51.557   1.964 -10.509
  263   1H6     A  25          1H6         A  25  46.028   1.888  -7.741
  264   2H6     A  25          2H6         A  25  47.260   2.921  -8.436
  265    H2     A  25           H2         A  25  47.473  -2.334  -8.142
  266   1H5*    G  26          1H5*        G  26  52.724  -5.390 -13.621
  267   2H5*    G  26          2H5*        G  26  51.430  -5.898 -14.723
  268    H4*    G  26           H4*        G  26  51.761  -7.195 -12.478
  269    H3*    G  26           H3*        G  26  49.139  -6.219 -13.654
  270    H2*    G  26           H2*        G  26  47.978  -7.144 -11.784
  271   2HO*    G  26          2HO*        G  26  49.601  -8.268 -10.182
  272    H1*    G  26           H1*        G  26  49.634  -6.254  -9.860
  273    H8     G  26           H8         G  26  49.842  -3.435 -12.058
  274    H1     G  26           H1         G  26  43.979  -3.758  -9.648
  275   1H2     G  26          1H2         G  26  43.618  -5.749  -8.756
  276   2H2     G  26          2H2         G  26  44.830  -7.013  -8.750
  277   1H5*    C  27          1H5*        C  27  48.671  -9.867 -12.520
  278   2H5*    C  27          2H5*        C  27  48.024 -11.141 -13.572
  279    H4*    C  27           H4*        C  27  46.634 -11.142 -11.637
  280    H3*    C  27           H3*        C  27  45.394  -9.696 -14.007
  281    H2*    C  27           H2*        C  27  43.427  -9.338 -12.669
  282   2HO*    C  27          2HO*        C  27  44.367 -10.490 -10.348
  283    H1*    C  27           H1*        C  27  44.699  -8.389 -10.531
  284   1H4     C  27          1H4         C  27  44.108  -3.228 -14.184
  285   2H4     C  27          2H4         C  27  45.584  -3.650 -15.020
  286    H5     C  27           H5         C  27  46.765  -5.706 -14.647
  287    H6     C  27           H6         C  27  46.806  -7.807 -13.421
  288   1H5*    C  28          1H5*        C  28  42.707 -11.637 -12.428
  289   2H5*    C  28          2H5*        C  28  41.545 -12.601 -13.359
  290    H4*    C  28           H4*        C  28  40.315 -10.892 -12.169
  291    H3*    C  28           H3*        C  28  40.650 -10.323 -15.148
  292    H2*    C  28           H2*        C  28  39.152  -8.488 -14.823
  293   2HO*    C  28          2HO*        C  28  38.708  -9.062 -12.107
  294    H1*    C  28           H1*        C  28  40.276  -7.623 -12.466
  295   1H4     C  28          1H4         C  28  42.858  -4.163 -17.141
  296   2H4     C  28          2H4         C  28  44.112  -5.370 -17.329
  297    H5     C  28           H5         C  28  44.103  -7.482 -16.133
  298    H6     C  28           H6         C  28  42.889  -8.873 -14.571
  299   1H5*    C  29          1H5*        C  29  36.835 -10.405 -13.877
  300   2H5*    C  29          2H5*        C  29  35.881 -11.851 -14.262
  301    H4*    C  29           H4*        C  29  34.222 -10.233 -14.304
  302    H3*    C  29           H3*        C  29  35.406 -10.557 -17.068
  303    H2*    C  29           H2*        C  29  34.128  -8.752 -17.896
  304   2HO*    C  29          2HO*        C  29  32.499  -9.418 -15.742
  305    H1*    C  29           H1*        C  29  34.383  -7.046 -15.809
  306   1H4     C  29          1H4         C  29  39.120  -5.392 -19.697
  307   2H4     C  29          2H4         C  29  39.914  -6.930 -19.465
  308    H5     C  29           H5         C  29  39.000  -8.692 -18.130
  309    H6     C  29           H6         C  29  37.146  -9.373 -16.687
  310   1H5*    C  30          1H5*        C  30  31.252  -9.405 -17.411
  311   2H5*    C  30          2H5*        C  30  30.724  -9.883 -19.036
  312    H4*    C  30           H4*        C  30  30.977  -7.348 -18.520
  313    H3*    C  30           H3*        C  30  32.239  -8.721 -20.914
  314    H2*    C  30           H2*        C  30  32.886  -6.603 -21.679
  315   2HO*    C  30          2HO*        C  30  31.879  -4.722 -21.072
  316    H1*    C  30           H1*        C  30  33.352  -5.509 -19.125
  317   1H4     C  30          1H4         C  30  39.036  -6.418 -21.818
  318   2H4     C  30          2H4         C  30  38.854  -8.153 -21.689
  319    H5     C  30           H5         C  30  36.852  -9.209 -20.854
  320    H6     C  30           H6         C  30  34.606  -8.842 -19.982
  321    H3T    C  30           H3T        C  30  29.780  -8.324 -20.273
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1  41.283   3.443 -23.857
    2   2H5*    G   1          2H5*        G   1  41.202   4.412 -22.371
    3    H4*    G   1           H4*        G   1  38.950   3.853 -23.242
    4    H3*    G   1           H3*        G   1  39.913   2.967 -20.535
    5    H2*    G   1           H2*        G   1  38.025   1.567 -20.154
    6   2HO*    G   1          2HO*        G   1  36.798   3.449 -21.606
    7    H1*    G   1           H1*        G   1  37.745   0.483 -22.614
    8    H8     G   1           H8         G   1  41.408   1.054 -21.693
    9    H1     G   1           H1         G   1  39.049  -4.460 -19.534
   10   1H2     G   1          1H2         G   1  36.854  -4.519 -19.835
   11   2H2     G   1          2H2         G   1  35.971  -3.202 -20.573
   12    H5T    G   1           H5T        G   1  42.629   2.369 -22.618
   13   1H5*    G   2          1H5*        G   2  36.814   3.561 -19.625
   14   2H5*    G   2          2H5*        G   2  36.104   4.798 -18.566
   15    H4*    G   2           H4*        G   2  35.586   2.966 -17.293
   16    H3*    G   2           H3*        G   2  38.403   3.781 -16.602
   17    H2*    G   2           H2*        G   2  38.858   1.762 -15.585
   18   2HO*    G   2          2HO*        G   2  36.213   1.203 -14.846
   19    H1*    G   2           H1*        G   2  36.542   0.292 -16.561
   20    H8     G   2           H8         G   2  39.584   1.156 -18.634
   21    H1     G   2           H1         G   2  40.114  -4.403 -15.560
   22   1H2     G   2          1H2         G   2  38.360  -4.687 -14.225
   23   2H2     G   2          2H2         G   2  37.074  -3.508 -14.100
   24   1H5*    G   3          1H5*        G   3  35.348   3.705 -12.796
   25   2H5*    G   3          2H5*        G   3  36.250   4.280 -11.381
   26    H4*    G   3           H4*        G   3  35.147   1.947 -11.230
   27    H3*    G   3           H3*        G   3  38.018   2.614 -10.524
   28    H2*    G   3           H2*        G   3  38.489   0.372 -10.093
   29   2HO*    G   3          2HO*        G   3  36.047  -0.797 -10.174
   30    H1*    G   3           H1*        G   3  36.830  -0.820 -11.958
   31    H8     G   3           H8         G   3  38.949   1.923 -13.407
   32    H1     G   3           H1         G   3  42.092  -3.582 -12.769
   33   1H2     G   3          1H2         G   3  40.898  -5.000 -11.554
   34   2H2     G   3          2H2         G   3  39.326  -4.587 -10.907
   35   1H5*    C   4          1H5*        C   4  35.993   0.104  -8.155
   36   2H5*    C   4          2H5*        C   4  35.709   0.521  -6.453
   37    H4*    C   4           H4*        C   4  36.145  -1.798  -6.402
   38    H3*    C   4           H3*        C   4  38.587  -0.137  -5.723
   39    H2*    C   4           H2*        C   4  39.894  -2.106  -5.504
   40   2HO*    C   4          2HO*        C   4  39.039  -3.960  -4.889
   41    H1*    C   4           H1*        C   4  38.962  -3.437  -7.678
   42   1H4     C   4          1H4         C   4  44.043  -0.224  -9.767
   43   2H4     C   4          2H4         C   4  43.115   1.248  -9.799
   44    H5     C   4           H5         C   4  40.881   1.410  -9.021
   45    H6     C   4           H6         C   4  38.989   0.219  -8.040
   46   1H5*    U   5          1H5*        U   5  38.450  -3.319  -2.597
   47   2H5*    U   5          2H5*        U   5  39.540  -2.747  -1.318
   48    H4*    U   5           H4*        U   5  40.274  -4.776  -2.794
   49    H3*    U   5           H3*        U   5  41.976  -2.356  -2.089
   50    H2*    U   5           H2*        U   5  43.788  -3.392  -3.236
   51   2HO*    U   5          2HO*        U   5  42.179  -5.731  -3.051
   52    H1*    U   5           H1*        U   5  42.354  -4.309  -5.375
   53    H3     U   5           H3         U   5  44.918  -1.006  -7.084
   54    H5     U   5           H5         U   5  41.944   1.032  -4.942
   55    H6     U   5           H6         U   5  41.176  -1.099  -4.088
   56   1H5*    G   6          1H5*        G   6  43.884  -5.932  -1.211
   57   2H5*    G   6          2H5*        G   6  45.227  -5.892  -0.051
   58    H4*    G   6           H4*        G   6  45.805  -6.395  -2.516
   59    H3*    G   6           H3*        G   6  47.147  -4.212  -0.868
   60    H2*    G   6           H2*        G   6  48.624  -3.877  -2.707
   61   2HO*    G   6          2HO*        G   6  48.675  -5.377  -4.463
   62    H1*    G   6           H1*        G   6  46.722  -4.109  -4.681
   63    H8     G   6           H8         G   6  44.989  -1.973  -2.290
   64    H1     G   6           H1         G   6  50.050   1.085  -4.642
   65   1H2     G   6          1H2         G   6  51.353  -0.347  -5.734
   66   2H2     G   6          2H2         G   6  50.990  -2.053  -5.852
   67   1H5*    U   7          1H5*        U   7  49.796  -5.950  -2.295
   68   2H5*    U   7          2H5*        U   7  50.947  -7.067  -1.535
   69    H4*    U   7           H4*        U   7  52.514  -5.768  -2.559
   70    H3*    U   7           H3*        U   7  51.698  -4.175  -0.107
   71    H2*    U   7           H2*        U   7  53.026  -2.371  -0.835
   72   2HO*    U   7          2HO*        U   7  54.183  -3.421  -3.068
   73    H1*    U   7           H1*        U   7  52.460  -2.489  -3.495
   74    H3     U   7           H3         U   7  50.429   1.315  -2.238
   75    H5     U   7           H5         U   7  48.269  -1.640  -0.202
   76    H6     U   7           H6         U   7  49.835  -3.291  -1.031
   77   1H5*    U   8          1H5*        U   8  56.524  -4.348  -0.206
   78   2H5*    U   8          2H5*        U   8  56.827  -4.390   1.541
   79    H4*    U   8           H4*        U   8  58.133  -2.612   0.363
   80    H3*    U   8           H3*        U   8  56.071  -1.834   2.464
   81    H2*    U   8           H2*        U   8  56.752   0.432   2.198
   82   2HO*    U   8          2HO*        U   8  58.857  -0.401   0.467
   83    H1*    U   8           H1*        U   8  56.884   0.417  -0.531
   84    H3     U   8           H3         U   8  53.224   2.876   0.506
   85    H5     U   8           H5         U   8  52.006  -1.124   1.074
   86    H6     U   8           H6         U   8  54.308  -1.801   0.726
   87   1H5*    U   9          1H5*        U   9  59.562   0.635   2.896
   88   2H5*    U   9          2H5*        U   9  59.747   0.990   4.623
   89    H4*    U   9           H4*        U   9  59.347   2.974   2.993
   90    H3*    U   9           H3*        U   9  57.720   2.531   5.534
   91    H2*    U   9           H2*        U   9  56.728   4.639   5.119
   92   2HO*    U   9          2HO*        U   9  57.875   5.774   3.114
   93    H1*    U   9           H1*        U   9  56.706   4.405   2.317
   94    H3     U   9           H3         U   9  52.486   5.084   4.062
   95    H5     U   9           H5         U   9  53.203   0.931   4.252
   96    H6     U   9           H6         U   9  55.505   1.365   3.669
   97   1H5*    U  10          1H5*        U  10  60.562   6.003   7.019
   98   2H5*    U  10          2H5*        U  10  60.300   5.899   8.772
   99    H4*    U  10           H4*        U  10  59.446   8.009   7.470
  100    H3*    U  10           H3*        U  10  57.798   6.417   9.481
  101    H2*    U  10           H2*        U  10  56.132   8.084   9.240
  102   2HO*    U  10          2HO*        U  10  56.918  10.006   7.793
  103    H1*    U  10           H1*        U  10  56.528   8.525   6.507
  104    H3     U  10           H3         U  10  52.227   7.193   7.300
  105    H5     U  10           H5         U  10  54.498   3.643   7.359
  106    H6     U  10           H6         U  10  56.503   5.004   7.263
  107   1H5*    U  11          1H5*        U  11  57.532  10.826  10.537
  108   2H5*    U  11          2H5*        U  11  57.655  10.779  12.307
  109    H4*    U  11           H4*        U  11  55.623  11.998  11.399
  110    H3*    U  11           H3*        U  11  55.384   9.625  13.289
  111    H2*    U  11           H2*        U  11  53.039   9.960  13.309
  112   2HO*    U  11          2HO*        U  11  52.089  11.883  12.801
  113    H1*    U  11           H1*        U  11  52.742  10.641  10.662
  114    H3     U  11           H3         U  11  50.473   6.752  11.239
  115    H5     U  11           H5         U  11  54.526   5.614  11.096
  116    H6     U  11           H6         U  11  55.118   7.956  11.100
  117   1H5*    C  12          1H5*        C  12  53.405  13.018  15.760
  118   2H5*    C  12          2H5*        C  12  53.506  12.344  17.398
  119    H4*    C  12           H4*        C  12  51.150  12.681  16.373
  120    H3*    C  12           H3*        C  12  52.153  10.103  17.643
  121    H2*    C  12           H2*        C  12  50.004   9.178  17.326
  122   2HO*    C  12          2HO*        C  12  48.461  11.054  16.346
  123    H1*    C  12           H1*        C  12  49.490  10.323  14.849
  124   1H4     C  12          1H4         C  12  51.226   4.252  14.040
  125   2H4     C  12          2H4         C  12  52.903   4.696  14.198
  126    H5     C  12           H5         C  12  53.628   6.922  14.717
  127    H6     C  12           H6         C  12  52.905   9.177  15.235
  128   1H5*    U  13          1H5*        U  13  50.592   8.210  21.052
  129   2H5*    U  13          2H5*        U  13  51.049   8.245  19.337
  130    H4*    U  13           H4*        U  13  48.135   8.187  19.676
  131    H3*    U  13           H3*        U  13  49.837   6.077  21.064
  132    H2*    U  13           H2*        U  13  48.437   4.401  20.215
  133   2HO*    U  13          2HO*        U  13  46.268   4.856  19.589
  134    H1*    U  13           H1*        U  13  47.599   5.774  17.866
  135    H3     U  13           H3         U  13  48.969   1.436  17.060
  136    H5     U  13           H5         U  13  52.443   3.829  16.941
  137    H6     U  13           H6         U  13  51.142   5.655  17.823
  138   1H5*    C  14          1H5*        C  14  46.076   5.022  21.392
  139   2H5*    C  14          2H5*        C  14  45.537   4.639  23.039
  140    H4*    C  14           H4*        C  14  45.045   2.779  21.526
  141    H3*    C  14           H3*        C  14  47.130   2.410  23.695
  142    H2*    C  14           H2*        C  14  47.581   0.218  22.961
  143   2HO*    C  14          2HO*        C  14  46.139  -0.965  21.723
  144    H1*    C  14           H1*        C  14  47.363   0.632  20.247
  145   1H4     C  14          1H4         C  14  53.588   0.859  21.538
  146   2H4     C  14          2H4         C  14  53.412   2.477  22.180
  147    H5     C  14           H5         C  14  51.284   3.583  22.408
  148    H6     C  14           H6         C  14  48.865   3.366  22.081
  149   1H5*    G  15          1H5*        G  15  45.807  -0.666  27.448
  150   2H5*    G  15          2H5*        G  15  46.933   0.509  26.736
  151    H4*    G  15           H4*        G  15  46.387  -2.180  25.447
  152    H3*    G  15           H3*        G  15  47.480  -2.122  27.949
  153    H2*    G  15           H2*        G  15  49.089  -0.391  27.405
  154   2HO*    G  15          2HO*        G  15  50.705  -1.562  28.116
  155    H1*    G  15           H1*        G  15  49.771  -2.002  24.932
  156    H8     G  15           H8         G  15  51.719  -0.734  23.892
  157    H1     G  15           H1         G  15  49.874   4.926  26.153
  158   1H2     G  15          1H2         G  15  48.003   4.700  27.321
  159   2H2     G  15          2H2         G  15  47.216   3.155  27.539
  160   1H5*    C  16          1H5*        C  16  45.677  -4.638  22.995
  161   2H5*    C  16          2H5*        C  16  47.089  -5.514  23.619
  162    H4*    C  16           H4*        C  16  47.015  -2.979  21.966
  163    H3*    C  16           H3*        C  16  47.766  -5.784  21.541
  164    H2*    C  16           H2*        C  16  50.055  -5.463  21.726
  165   2HO*    C  16          2HO*        C  16  50.237  -5.238  19.575
  166    H1*    C  16           H1*        C  16  49.858  -2.472  21.533
  167   1H4     C  16          1H4         C  16  55.388  -3.218  24.603
  168   2H4     C  16          2H4         C  16  54.675  -4.385  25.692
  169    H5     C  16           H5         C  16  52.380  -5.138  25.512
  170    H6     C  16           H6         C  16  50.296  -4.911  24.258
  171   1H5*    U  17          1H5*        U  17  46.929  -4.542  16.423
  172   2H5*    U  17          2H5*        U  17  48.438  -5.221  15.786
  173    H4*    U  17           H4*        U  17  47.731  -2.415  16.415
  174    H3*    U  17           H3*        U  17  49.328  -3.908  14.430
  175    H2*    U  17           H2*        U  17  51.361  -2.991  15.013
  176   2HO*    U  17          2HO*        U  17  50.947  -0.385  15.037
  177    H1*    U  17           H1*        U  17  50.196  -0.920  16.814
  178    H3     U  17           H3         U  17  54.849  -0.897  17.020
  179    H5     U  17           H5         U  17  53.495  -4.016  19.497
  180    H6     U  17           H6         U  17  51.270  -3.726  18.533
  181   1H5*    G  18          1H5*        G  18  45.059  -2.951  13.462
  182   2H5*    G  18          2H5*        G  18  44.685  -2.166  11.913
  183    H4*    G  18           H4*        G  18  43.157  -1.446  13.743
  184    H3*    G  18           H3*        G  18  44.841   0.424  12.146
  185    H2*    G  18           H2*        G  18  44.702   2.251  13.619
  186   2HO*    G  18          2HO*        G  18  42.763   2.682  14.333
  187    H1*    G  18           H1*        G  18  44.691   1.011  16.044
  188    H8     G  18           H8         G  18  47.223  -1.069  14.771
  189    H1     G  18           H1         G  18  49.384   4.906  14.608
  190   1H2     G  18          1H2         G  18  47.691   6.339  14.815
  191   2H2     G  18          2H2         G  18  46.032   5.813  14.995
  192   1H5*    A  19          1H5*        A  19  41.545   2.716  12.574
  193   2H5*    A  19          2H5*        A  19  40.477   2.726  11.156
  194    H4*    A  19           H4*        A  19  40.619   4.999  11.601
  195    H3*    A  19           H3*        A  19  42.810   4.209   9.666
  196    H2*    A  19           H2*        A  19  43.648   6.445   9.678
  197   2HO*    A  19          2HO*        A  19  42.362   8.084  10.096
  198    H1*    A  19           H1*        A  19  43.723   6.730  12.332
  199    H8     A  19           H8         A  19  44.077   3.062  11.457
  200   1H6     A  19          1H6         A  19  50.137   4.021  11.032
  201   2H6     A  19          2H6         A  19  48.876   2.808  11.062
  202    H2     A  19           H2         A  19  48.114   8.009  11.421
  203   1H5*    C  20          1H5*        C  20  41.597   7.827   8.275
  204   2H5*    C  20          2H5*        C  20  42.003   8.000   6.557
  205    H4*    C  20           H4*        C  20  43.416   9.291   8.347
  206    H3*    C  20           H3*        C  20  44.576   7.637   6.065
  207    H2*    C  20           H2*        C  20  46.695   8.509   6.697
  208   2HO*    C  20          2HO*        C  20  45.138  10.473   8.051
  209    H1*    C  20           H1*        C  20  46.194   8.447   9.449
  210   1H4     C  20          1H4         C  20  50.101   3.671   7.859
  211   2H4     C  20          2H4         C  20  48.724   2.591   7.937
  212    H5     C  20           H5         C  20  46.450   3.373   8.212
  213    H6     C  20           H6         C  20  45.019   5.350   8.450
  214   1H5*    U  21          1H5*        U  21  46.042  11.396   4.653
  215   2H5*    U  21          2H5*        U  21  46.224  11.222   2.896
  216    H4*    U  21           H4*        U  21  48.374  11.232   4.365
  217    H3*    U  21           H3*        U  21  47.686   9.262   2.166
  218    H2*    U  21           H2*        U  21  49.521   7.956   2.680
  219   2HO*    U  21          2HO*        U  21  50.761  10.341   3.648
  220    H1*    U  21           H1*        U  21  49.967   8.907   5.361
  221    H3     U  21           H3         U  21  50.678   4.395   5.099
  222    H5     U  21           H5         U  21  46.499   4.887   5.224
  223    H6     U  21           H6         U  21  46.849   7.274   4.921
  224   1H5*    U  22          1H5*        U  22  51.929  11.241   1.010
  225   2H5*    U  22          2H5*        U  22  51.940  10.966  -0.742
  226    H4*    U  22           H4*        U  22  53.921  10.019   0.592
  227    H3*    U  22           H3*        U  22  52.207   8.405  -1.327
  228    H2*    U  22           H2*        U  22  53.588   6.513  -0.918
  229   2HO*    U  22          2HO*        U  22  55.655   6.923  -0.754
  230    H1*    U  22           H1*        U  22  53.850   6.829   1.783
  231    H3     U  22           H3         U  22  51.183   3.193   1.114
  232    H5     U  22           H5         U  22  48.631   6.507   0.696
  233    H6     U  22           H6         U  22  50.593   7.922   0.778
  234   1H5*    U  23          1H5*        U  23  56.515   7.838  -2.425
  235   2H5*    U  23          2H5*        U  23  56.619   8.397  -4.106
  236    H4*    U  23           H4*        U  23  57.844   6.355  -4.034
  237    H3*    U  23           H3*        U  23  55.075   6.138  -5.233
  238    H2*    U  23           H2*        U  23  55.300   3.801  -5.478
  239   2HO*    U  23          2HO*        U  23  57.172   3.139  -6.188
  240    H1*    U  23           H1*        U  23  56.603   3.230  -3.170
  241    H3     U  23           H3         U  23  52.571   1.402  -2.391
  242    H5     U  23           H5         U  23  51.821   5.542  -2.228
  243    H6     U  23           H6         U  23  54.105   5.917  -2.965
  244   1H5*    C  24          1H5*        C  24  57.543   4.369  -8.737
  245   2H5*    C  24          2H5*        C  24  56.477   4.763 -10.100
  246    H4*    C  24           H4*        C  24  56.825   2.270  -9.601
  247    H3*    C  24           H3*        C  24  54.106   3.609  -9.817
  248    H2*    C  24           H2*        C  24  53.070   1.510  -9.457
  249   2HO*    C  24          2HO*        C  24  55.645   0.333  -9.880
  250    H1*    C  24           H1*        C  24  54.817   0.548  -7.558
  251   1H4     C  24          1H4         C  24  49.709   2.829  -4.505
  252   2H4     C  24          2H4         C  24  50.297   4.464  -4.706
  253    H5     C  24           H5         C  24  52.281   5.010  -5.956
  254    H6     C  24           H6         C  24  54.134   4.101  -7.284
  255   1H5*    A  25          1H5*        A  25  54.754   0.160 -11.739
  256   2H5*    A  25          2H5*        A  25  53.920  -0.360 -13.216
  257    H4*    A  25           H4*        A  25  53.633  -1.828 -11.106
  258    H3*    A  25           H3*        A  25  51.424  -0.787 -12.882
  259    H2*    A  25           H2*        A  25  49.773  -1.614 -11.478
  260   2HO*    A  25          2HO*        A  25  50.726  -3.322  -9.818
  261    H1*    A  25           H1*        A  25  51.213  -1.599  -9.041
  262    H8     A  25           H8         A  25  51.082   1.805 -10.450
  263   1H6     A  25          1H6         A  25  45.446   2.359  -7.986
  264   2H6     A  25          2H6         A  25  46.774   3.233  -8.721
  265    H2     A  25           H2         A  25  46.621  -1.963  -7.879
  266   1H5*    G  26          1H5*        G  26  52.086  -5.596 -12.343
  267   2H5*    G  26          2H5*        G  26  51.221  -6.358 -13.692
  268    H4*    G  26           H4*        G  26  50.875  -7.544 -11.523
  269    H3*    G  26           H3*        G  26  48.533  -6.283 -12.986
  270    H2*    G  26           H2*        G  26  47.073  -7.119 -11.295
  271   2HO*    G  26          2HO*        G  26  48.610  -8.404  -9.583
  272    H1*    G  26           H1*        G  26  48.567  -6.440  -9.166
  273    H8     G  26           H8         G  26  49.191  -3.703 -11.468
  274    H1     G  26           H1         G  26  43.300  -3.292  -9.155
  275   1H2     G  26          1H2         G  26  42.736  -5.191  -8.154
  276   2H2     G  26          2H2         G  26  43.817  -6.564  -8.058
  277   1H5*    C  27          1H5*        C  27  47.717 -10.033 -11.746
  278   2H5*    C  27          2H5*        C  27  46.998 -11.173 -12.901
  279    H4*    C  27           H4*        C  27  45.682 -11.147 -10.844
  280    H3*    C  27           H3*        C  27  44.455  -9.967 -13.351
  281    H2*    C  27           H2*        C  27  42.458  -9.449 -12.127
  282   2HO*    C  27          2HO*        C  27  43.503 -11.363 -10.382
  283    H1*    C  27           H1*        C  27  43.633  -8.337 -10.007
  284   1H4     C  27          1H4         C  27  43.313  -3.408 -13.989
  285   2H4     C  27          2H4         C  27  44.836  -3.888 -14.699
  286    H5     C  27           H5         C  27  45.961  -5.940 -14.141
  287    H6     C  27           H6         C  27  45.888  -7.967 -12.806
  288   1H5*    C  28          1H5*        C  28  41.875 -11.826 -11.802
  289   2H5*    C  28          2H5*        C  28  40.734 -12.964 -12.548
  290    H4*    C  28           H4*        C  28  39.383 -11.152 -11.846
  291    H3*    C  28           H3*        C  28  40.121 -10.893 -14.792
  292    H2*    C  28           H2*        C  28  38.688  -8.993 -14.880
  293   2HO*    C  28          2HO*        C  28  37.706  -8.845 -12.386
  294    H1*    C  28           H1*        C  28  39.441  -7.926 -12.450
  295   1H4     C  28          1H4         C  28  42.804  -4.851 -16.889
  296   2H4     C  28          2H4         C  28  43.978  -6.149 -16.914
  297    H5     C  28           H5         C  28  43.704  -8.197 -15.661
  298    H6     C  28           H6         C  28  42.260  -9.439 -14.168
  299   1H5*    C  29          1H5*        C  29  35.599 -10.880 -15.016
  300   2H5*    C  29          2H5*        C  29  35.321 -12.321 -16.015
  301    H4*    C  29           H4*        C  29  34.036 -10.581 -17.025
  302    H3*    C  29           H3*        C  29  36.677 -11.102 -18.439
  303    H2*    C  29           H2*        C  29  36.104  -9.453 -20.033
  304   2HO*    C  29          2HO*        C  29  33.458  -9.696 -18.990
  305    H1*    C  29           H1*        C  29  34.902  -7.669 -18.318
  306   1H4     C  29          1H4         C  29  40.691  -5.246 -19.166
  307   2H4     C  29          2H4         C  29  41.453  -6.682 -18.519
  308    H5     C  29           H5         C  29  40.220  -8.616 -17.810
  309    H6     C  29           H6         C  29  37.991  -9.599 -17.535
  310   1H5*    C  30          1H5*        C  30  33.328 -10.472 -21.177
  311   2H5*    C  30          2H5*        C  30  33.789 -11.030 -22.798
  312    H4*    C  30           H4*        C  30  33.477  -8.478 -22.418
  313    H3*    C  30           H3*        C  30  35.960  -9.691 -23.672
  314    H2*    C  30           H2*        C  30  36.687  -7.514 -24.122
  315   2HO*    C  30          2HO*        C  30  35.330  -5.992 -24.702
  316    H1*    C  30           H1*        C  30  35.550  -6.351 -21.814
  317   1H4     C  30          1H4         C  30  41.845  -6.374 -20.963
  318   2H4     C  30          2H4         C  30  41.861  -8.119 -20.850
  319    H5     C  30           H5         C  30  39.885  -9.479 -21.158
  320    H6     C  30           H6         C  30  37.495  -9.456 -21.643
  321    H3T    C  30           H3T        C  30  33.439  -8.702 -24.540
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1  38.344   1.120 -25.057
    2   2H5*    G   1          2H5*        G   1  38.779   2.832 -24.878
    3    H4*    G   1           H4*        G   1  36.791   2.887 -23.743
    4    H3*    G   1           H3*        G   1  38.981   2.144 -21.830
    5    H2*    G   1           H2*        G   1  37.465   1.466 -20.111
    6   2HO*    G   1          2HO*        G   1  35.566   2.941 -21.644
    7    H1*    G   1           H1*        G   1  35.642   0.152 -21.597
    8    H8     G   1           H8         G   1  39.349  -0.028 -22.691
    9    H1     G   1           H1         G   1  37.382  -4.965 -19.182
   10   1H2     G   1          1H2         G   1  35.310  -4.613 -18.464
   11   2H2     G   1          2H2         G   1  34.414  -3.161 -18.850
   12    H5T    G   1           H5T        G   1  40.501   1.474 -24.310
   13   1H5*    G   2          1H5*        G   2  36.230   3.759 -19.843
   14   2H5*    G   2          2H5*        G   2  36.568   4.815 -18.458
   15    H4*    G   2           H4*        G   2  35.522   2.699 -17.728
   16    H3*    G   2           H3*        G   2  38.352   3.379 -16.936
   17    H2*    G   2           H2*        G   2  38.727   1.269 -16.083
   18   2HO*    G   2          2HO*        G   2  36.154   0.472 -15.527
   19    H1*    G   2           H1*        G   2  36.528  -0.119 -17.318
   20    H8     G   2           H8         G   2  39.475   1.104 -19.331
   21    H1     G   2           H1         G   2  40.623  -4.445 -16.406
   22   1H2     G   2          1H2         G   2  38.926  -4.955 -15.069
   23   2H2     G   2          2H2         G   2  37.519  -3.929 -14.903
   24   1H5*    G   3          1H5*        G   3  35.355   2.776 -13.384
   25   2H5*    G   3          2H5*        G   3  35.979   3.519 -11.898
   26    H4*    G   3           H4*        G   3  35.316   1.086 -11.669
   27    H3*    G   3           H3*        G   3  38.095   2.122 -11.043
   28    H2*    G   3           H2*        G   3  38.850  -0.023 -10.584
   29   2HO*    G   3          2HO*        G   3  36.254  -1.127 -10.458
   30    H1*    G   3           H1*        G   3  37.256  -1.473 -12.333
   31    H8     G   3           H8         G   3  39.064   1.379 -13.948
   32    H1     G   3           H1         G   3  42.784  -3.713 -13.024
   33   1H2     G   3          1H2         G   3  41.746  -5.180 -11.728
   34   2H2     G   3          2H2         G   3  40.139  -4.901 -11.095
   35   1H5*    C   4          1H5*        C   4  36.241  -0.442  -8.564
   36   2H5*    C   4          2H5*        C   4  35.995  -0.106  -6.839
   37    H4*    C   4           H4*        C   4  36.558  -2.414  -6.950
   38    H3*    C   4           H3*        C   4  38.872  -0.632  -6.135
   39    H2*    C   4           H2*        C   4  40.292  -2.534  -5.982
   40   2HO*    C   4          2HO*        C   4  39.024  -4.673  -6.491
   41    H1*    C   4           H1*        C   4  39.499  -3.780  -8.258
   42   1H4     C   4          1H4         C   4  44.381  -0.100 -10.042
   43   2H4     C   4          2H4         C   4  43.320   1.281 -10.106
   44    H5     C   4           H5         C   4  41.048   1.225  -9.418
   45    H6     C   4           H6         C   4  39.244  -0.146  -8.518
   46   1H5*    U   5          1H5*        U   5  38.842  -3.762  -3.069
   47   2H5*    U   5          2H5*        U   5  39.838  -3.162  -1.728
   48    H4*    U   5           H4*        U   5  40.809  -5.057  -3.204
   49    H3*    U   5           H3*        U   5  42.281  -2.468  -2.556
   50    H2*    U   5           H2*        U   5  44.191  -3.448  -3.615
   51   2HO*    U   5          2HO*        U   5  44.146  -5.665  -4.276
   52    H1*    U   5           H1*        U   5  42.841  -4.434  -5.771
   53    H3     U   5           H3         U   5  45.291  -0.934  -7.293
   54    H5     U   5           H5         U   5  42.028   0.857  -5.364
   55    H6     U   5           H6         U   5  41.368  -1.331  -4.564
   56   1H5*    G   6          1H5*        G   6  44.144  -5.656  -2.058
   57   2H5*    G   6          2H5*        G   6  45.366  -6.067  -0.839
   58    H4*    G   6           H4*        G   6  46.269  -6.223  -3.144
   59    H3*    G   6           H3*        G   6  47.371  -4.098  -1.267
   60    H2*    G   6           H2*        G   6  48.954  -3.535  -2.938
   61   2HO*    G   6          2HO*        G   6  48.232  -5.672  -4.625
   62    H1*    G   6           H1*        G   6  47.275  -3.826  -5.118
   63    H8     G   6           H8         G   6  45.284  -1.879  -2.715
   64    H1     G   6           H1         G   6  50.176   1.581  -4.856
   65   1H2     G   6          1H2         G   6  51.582   0.286  -5.993
   66   2H2     G   6          2H2         G   6  51.331  -1.433  -6.186
   67   1H5*    U   7          1H5*        U   7  50.181  -5.684  -2.542
   68   2H5*    U   7          2H5*        U   7  51.330  -6.784  -1.755
   69    H4*    U   7           H4*        U   7  52.906  -5.352  -2.546
   70    H3*    U   7           H3*        U   7  51.747  -3.867  -0.159
   71    H2*    U   7           H2*        U   7  53.138  -2.033  -0.686
   72   2HO*    U   7          2HO*        U   7  54.553  -2.986  -2.796
   73    H1*    U   7           H1*        U   7  52.863  -2.138  -3.413
   74    H3     U   7           H3         U   7  50.692   1.673  -2.401
   75    H5     U   7           H5         U   7  48.409  -1.265  -0.499
   76    H6     U   7           H6         U   7  50.038  -2.921  -1.179
   77   1H5*    U   8          1H5*        U   8  56.581  -4.128   0.233
   78   2H5*    U   8          2H5*        U   8  56.724  -4.116   2.001
   79    H4*    U   8           H4*        U   8  58.185  -2.425   0.844
   80    H3*    U   8           H3*        U   8  56.041  -1.540   2.816
   81    H2*    U   8           H2*        U   8  56.865   0.689   2.576
   82   2HO*    U   8          2HO*        U   8  58.799   0.881   1.042
   83    H1*    U   8           H1*        U   8  57.067   0.654  -0.131
   84    H3     U   8           H3         U   8  53.439   3.185   0.910
   85    H5     U   8           H5         U   8  52.086  -0.793   1.200
   86    H6     U   8           H6         U   8  54.387  -1.521   0.927
   87   1H5*    U   9          1H5*        U   9  59.576   0.895   3.187
   88   2H5*    U   9          2H5*        U   9  59.759   1.252   4.915
   89    H4*    U   9           H4*        U   9  59.406   3.242   3.285
   90    H3*    U   9           H3*        U   9  57.791   2.793   5.825
   91    H2*    U   9           H2*        U   9  56.743   4.873   5.434
   92   2HO*    U   9          2HO*        U   9  59.039   5.355   3.840
   93    H1*    U   9           H1*        U   9  56.665   4.673   2.640
   94    H3     U   9           H3         U   9  52.408   5.081   4.306
   95    H5     U   9           H5         U   9  53.412   1.003   4.711
   96    H6     U   9           H6         U   9  55.682   1.569   4.114
   97   1H5*    U  10          1H5*        U  10  60.524   6.329   7.335
   98   2H5*    U  10          2H5*        U  10  60.242   6.185   9.081
   99    H4*    U  10           H4*        U  10  59.319   8.276   7.773
  100    H3*    U  10           H3*        U  10  57.747   6.626   9.801
  101    H2*    U  10           H2*        U  10  56.037   8.267   9.588
  102   2HO*    U  10          2HO*        U  10  56.414  10.303   8.805
  103    H1*    U  10           H1*        U  10  56.334   8.645   6.845
  104    H3     U  10           H3         U  10  52.149   7.070   7.826
  105    H5     U  10           H5         U  10  54.624   3.661   7.766
  106    H6     U  10           H6         U  10  56.544   5.142   7.603
  107   1H5*    U  11          1H5*        U  11  57.611  10.971  11.271
  108   2H5*    U  11          2H5*        U  11  57.617  10.750  13.031
  109    H4*    U  11           H4*        U  11  55.648  12.065  12.071
  110    H3*    U  11           H3*        U  11  55.297   9.583  13.798
  111    H2*    U  11           H2*        U  11  52.954   9.959  13.725
  112   2HO*    U  11          2HO*        U  11  53.678  12.573  12.855
  113    H1*    U  11           H1*        U  11  52.809  10.770  11.103
  114    H3     U  11           H3         U  11  50.490   6.872  11.435
  115    H5     U  11           H5         U  11  54.537   5.707  11.394
  116    H6     U  11           H6         U  11  55.148   8.043  11.515
  117   1H5*    C  12          1H5*        C  12  53.309  12.746  15.812
  118   2H5*    C  12          2H5*        C  12  53.421  12.644  17.580
  119    H4*    C  12           H4*        C  12  51.074  12.555  16.876
  120    H3*    C  12           H3*        C  12  52.278   9.988  17.987
  121    H2*    C  12           H2*        C  12  50.133   8.998  17.840
  122   2HO*    C  12          2HO*        C  12  48.531  10.969  17.015
  123    H1*    C  12           H1*        C  12  49.377  10.186  15.442
  124   1H4     C  12          1H4         C  12  51.175   4.215  14.221
  125   2H4     C  12          2H4         C  12  52.854   4.664  14.346
  126    H5     C  12           H5         C  12  53.581   6.865  14.963
  127    H6     C  12           H6         C  12  52.858   9.091  15.616
  128   1H5*    U  13          1H5*        U  13  50.488   7.888  21.325
  129   2H5*    U  13          2H5*        U  13  51.135   8.007  19.676
  130    H4*    U  13           H4*        U  13  48.206   8.022  19.673
  131    H3*    U  13           H3*        U  13  49.661   5.779  21.128
  132    H2*    U  13           H2*        U  13  48.275   4.223  20.049
  133   2HO*    U  13          2HO*        U  13  46.398   6.128  19.173
  134    H1*    U  13           H1*        U  13  47.764   5.769  17.709
  135    H3     U  13           H3         U  13  48.988   1.293  17.110
  136    H5     U  13           H5         U  13  52.492   3.636  16.898
  137    H6     U  13           H6         U  13  51.217   5.509  17.726
  138   1H5*    C  14          1H5*        C  14  45.946   4.946  21.197
  139   2H5*    C  14          2H5*        C  14  45.181   4.602  22.761
  140    H4*    C  14           H4*        C  14  44.716   2.756  21.281
  141    H3*    C  14           H3*        C  14  46.758   2.245  23.467
  142    H2*    C  14           H2*        C  14  47.065   0.034  22.698
  143   2HO*    C  14          2HO*        C  14  44.651  -0.182  22.438
  144    H1*    C  14           H1*        C  14  46.916   0.532  19.989
  145   1H4     C  14          1H4         C  14  53.122   0.305  21.384
  146   2H4     C  14          2H4         C  14  53.047   1.923  22.045
  147    H5     C  14           H5         C  14  50.992   3.168  22.262
  148    H6     C  14           H6         C  14  48.568   3.119  21.889
  149   1H5*    G  15          1H5*        G  15  45.373  -1.041  26.999
  150   2H5*    G  15          2H5*        G  15  46.499   0.229  26.475
  151    H4*    G  15           H4*        G  15  46.111  -2.355  24.932
  152    H3*    G  15           H3*        G  15  47.154  -2.407  27.474
  153    H2*    G  15           H2*        G  15  48.774  -0.660  27.053
  154   2HO*    G  15          2HO*        G  15  50.570  -2.512  26.159
  155    H1*    G  15           H1*        G  15  49.432  -2.094  24.466
  156    H8     G  15           H8         G  15  51.409  -0.782  23.528
  157    H1     G  15           H1         G  15  49.636   4.704  26.239
  158   1H2     G  15          1H2         G  15  47.746   4.409  27.364
  159   2H2     G  15          2H2         G  15  46.933   2.863  27.433
  160   1H5*    C  16          1H5*        C  16  45.657  -5.118  22.389
  161   2H5*    C  16          2H5*        C  16  47.067  -5.841  23.188
  162    H4*    C  16           H4*        C  16  46.966  -3.383  21.414
  163    H3*    C  16           H3*        C  16  47.842  -6.158  21.113
  164    H2*    C  16           H2*        C  16  50.091  -5.770  21.527
  165   2HO*    C  16          2HO*        C  16  49.550  -5.025  19.055
  166    H1*    C  16           H1*        C  16  49.848  -2.799  21.159
  167   1H4     C  16          1H4         C  16  55.135  -3.266  24.670
  168   2H4     C  16          2H4         C  16  54.422  -4.514  25.668
  169    H5     C  16           H5         C  16  52.193  -5.389  25.302
  170    H6     C  16           H6         C  16  50.189  -5.230  23.918
  171   1H5*    U  17          1H5*        U  17  47.285  -4.891  15.968
  172   2H5*    U  17          2H5*        U  17  48.849  -5.460  15.355
  173    H4*    U  17           H4*        U  17  47.973  -2.729  16.093
  174    H3*    U  17           H3*        U  17  49.694  -4.032  14.083
  175    H2*    U  17           H2*        U  17  51.664  -3.053  14.772
  176   2HO*    U  17          2HO*        U  17  51.053  -0.464  14.920
  177    H1*    U  17           H1*        U  17  50.364  -1.137  16.646
  178    H3     U  17           H3         U  17  55.011  -0.978  17.024
  179    H5     U  17           H5         U  17  53.650  -4.227  19.323
  180    H6     U  17           H6         U  17  51.463  -3.972  18.263
  181   1H5*    G  18          1H5*        G  18  45.391  -3.212  13.057
  182   2H5*    G  18          2H5*        G  18  45.020  -2.356  11.546
  183    H4*    G  18           H4*        G  18  43.415  -1.801  13.363
  184    H3*    G  18           H3*        G  18  45.071   0.235  11.948
  185    H2*    G  18           H2*        G  18  44.817   1.950  13.534
  186   2HO*    G  18          2HO*        G  18  42.474   1.645  13.560
  187    H1*    G  18           H1*        G  18  44.785   0.552  15.869
  188    H8     G  18           H8         G  18  47.435  -1.331  14.521
  189    H1     G  18           H1         G  18  49.324   4.731  14.767
  190   1H2     G  18          1H2         G  18  47.570   6.069  15.050
  191   2H2     G  18          2H2         G  18  45.934   5.463  15.181
  192   1H5*    A  19          1H5*        A  19  41.455   2.314  12.282
  193   2H5*    A  19          2H5*        A  19  40.589   2.381  10.734
  194    H4*    A  19           H4*        A  19  40.543   4.616  11.435
  195    H3*    A  19           H3*        A  19  42.858   4.073   9.566
  196    H2*    A  19           H2*        A  19  43.616   6.323   9.796
  197   2HO*    A  19          2HO*        A  19  41.092   6.717  11.068
  198    H1*    A  19           H1*        A  19  43.562   6.401  12.458
  199    H8     A  19           H8         A  19  44.048   2.812  11.386
  200   1H6     A  19          1H6         A  19  50.083   3.957  11.145
  201   2H6     A  19          2H6         A  19  48.856   2.711  11.082
  202    H2     A  19           H2         A  19  47.938   7.861  11.707
  203   1H5*    C  20          1H5*        C  20  41.678   7.408   8.699
  204   2H5*    C  20          2H5*        C  20  41.755   8.043   7.044
  205    H4*    C  20           H4*        C  20  43.417   9.113   8.565
  206    H3*    C  20           H3*        C  20  44.454   7.401   6.267
  207    H2*    C  20           H2*        C  20  46.617   8.184   6.829
  208   2HO*    C  20          2HO*        C  20  45.367  10.185   8.447
  209    H1*    C  20           H1*        C  20  46.157   8.295   9.605
  210   1H4     C  20          1H4         C  20  50.132   3.520   8.213
  211   2H4     C  20          2H4         C  20  48.767   2.420   8.251
  212    H5     C  20           H5         C  20  46.470   3.177   8.458
  213    H6     C  20           H6         C  20  45.007   5.140   8.653
  214   1H5*    U  21          1H5*        U  21  45.718  11.179   4.855
  215   2H5*    U  21          2H5*        U  21  45.894  11.151   3.088
  216    H4*    U  21           H4*        U  21  48.053  11.053   4.533
  217    H3*    U  21           H3*        U  21  47.322   9.346   2.159
  218    H2*    U  21           H2*        U  21  48.903   7.754   2.649
  219   2HO*    U  21          2HO*        U  21  50.390   9.975   2.558
  220    H1*    U  21           H1*        U  21  49.680   8.807   5.287
  221    H3     U  21           H3         U  21  50.582   4.332   5.356
  222    H5     U  21           H5         U  21  46.382   4.628   5.474
  223    H6     U  21           H6         U  21  46.609   7.003   5.009
  224   1H5*    U  22          1H5*        U  22  51.661  11.469   1.231
  225   2H5*    U  22          2H5*        U  22  51.709  11.324  -0.537
  226    H4*    U  22           H4*        U  22  53.696  10.346   0.797
  227    H3*    U  22           H3*        U  22  52.120   8.882  -1.347
  228    H2*    U  22           H2*        U  22  53.518   6.991  -1.060
  229   2HO*    U  22          2HO*        U  22  55.569   7.232  -0.593
  230    H1*    U  22           H1*        U  22  53.751   7.095   1.674
  231    H3     U  22           H3         U  22  51.396   3.394   0.234
  232    H5     U  22           H5         U  22  48.569   6.427   0.944
  233    H6     U  22           H6         U  22  50.415   7.986   1.149
  234   1H5*    U  23          1H5*        U  23  56.581   8.422  -2.293
  235   2H5*    U  23          2H5*        U  23  56.657   9.096  -3.934
  236    H4*    U  23           H4*        U  23  57.903   7.051  -3.982
  237    H3*    U  23           H3*        U  23  55.158   6.937  -5.247
  238    H2*    U  23           H2*        U  23  55.385   4.628  -5.671
  239   2HO*    U  23          2HO*        U  23  57.870   5.260  -6.144
  240    H1*    U  23           H1*        U  23  56.702   3.878  -3.405
  241    H3     U  23           H3         U  23  52.735   1.868  -2.761
  242    H5     U  23           H5         U  23  51.817   5.970  -2.427
  243    H6     U  23           H6         U  23  54.100   6.468  -3.090
  244   1H5*    C  24          1H5*        C  24  57.680   5.319  -8.737
  245   2H5*    C  24          2H5*        C  24  56.647   5.765 -10.109
  246    H4*    C  24           H4*        C  24  56.969   3.256  -9.687
  247    H3*    C  24           H3*        C  24  54.241   4.591  -9.877
  248    H2*    C  24           H2*        C  24  53.251   2.438  -9.700
  249   2HO*    C  24          2HO*        C  24  55.838   1.259  -9.967
  250    H1*    C  24           H1*        C  24  54.989   1.422  -7.807
  251   1H4     C  24          1H4         C  24  49.752   3.294  -4.704
  252   2H4     C  24          2H4         C  24  50.253   4.965  -4.826
  253    H5     C  24           H5         C  24  52.210   5.673  -6.031
  254    H6     C  24           H6         C  24  54.119   4.930  -7.381
  255   1H5*    A  25          1H5*        A  25  54.992   1.262 -12.083
  256   2H5*    A  25          2H5*        A  25  54.050   0.835 -13.526
  257    H4*    A  25           H4*        A  25  53.954  -0.715 -11.406
  258    H3*    A  25           H3*        A  25  51.675   0.205 -13.166
  259    H2*    A  25           H2*        A  25  50.107  -0.789 -11.777
  260   2HO*    A  25          2HO*        A  25  50.816  -2.550 -10.318
  261    H1*    A  25           H1*        A  25  51.587  -0.743  -9.355
  262    H8     A  25           H8         A  25  51.111   2.679 -10.591
  263   1H6     A  25          1H6         A  25  45.444   2.570  -8.153
  264   2H6     A  25          2H6         A  25  46.690   3.598  -8.824
  265    H2     A  25           H2         A  25  47.024  -1.634  -8.267
  266   1H5*    G  26          1H5*        G  26  52.732  -4.773 -13.236
  267   2H5*    G  26          2H5*        G  26  51.506  -5.415 -14.347
  268    H4*    G  26           H4*        G  26  51.820  -6.571 -12.033
  269    H3*    G  26           H3*        G  26  49.195  -5.768 -13.324
  270    H2*    G  26           H2*        G  26  48.017  -6.629 -11.434
  271   2HO*    G  26          2HO*        G  26  49.297  -7.739  -9.744
  272    H1*    G  26           H1*        G  26  49.576  -5.561  -9.521
  273    H8     G  26           H8         G  26  49.742  -2.910 -11.942
  274    H1     G  26           H1         G  26  43.861  -3.214  -9.586
  275   1H2     G  26          1H2         G  26  43.556  -5.129  -8.523
  276   2H2     G  26          2H2         G  26  44.809  -6.345  -8.390
  277   1H5*    C  27          1H5*        C  27  48.912  -9.425 -12.013
  278   2H5*    C  27          2H5*        C  27  48.373 -10.774 -13.033
  279    H4*    C  27           H4*        C  27  46.978 -10.798 -11.090
  280    H3*    C  27           H3*        C  27  45.667  -9.639 -13.571
  281    H2*    C  27           H2*        C  27  43.648  -9.317 -12.308
  282   2HO*    C  27          2HO*        C  27  44.351 -10.115  -9.852
  283    H1*    C  27           H1*        C  27  44.781  -8.143 -10.200
  284   1H4     C  27          1H4         C  27  43.940  -3.290 -14.221
  285   2H4     C  27          2H4         C  27  45.490  -3.637 -14.947
  286    H5     C  27           H5         C  27  46.806  -5.556 -14.385
  287    H6     C  27           H6         C  27  46.958  -7.562 -13.020
  288   1H5*    C  28          1H5*        C  28  43.099 -11.626 -12.027
  289   2H5*    C  28          2H5*        C  28  42.106 -12.815 -12.892
  290    H4*    C  28           H4*        C  28  40.599 -11.154 -12.057
  291    H3*    C  28           H3*        C  28  41.230 -10.812 -15.018
  292    H2*    C  28           H2*        C  28  39.587  -9.080 -15.056
  293   2HO*    C  28          2HO*        C  28  38.784  -9.197 -12.428
  294    H1*    C  28           H1*        C  28  40.340  -7.905 -12.690
  295   1H4     C  28          1H4         C  28  43.334  -4.713 -17.312
  296   2H4     C  28          2H4         C  28  44.655  -5.857 -17.236
  297    H5     C  28           H5         C  28  44.601  -7.850 -15.866
  298    H6     C  28           H6         C  28  43.275  -9.171 -14.329
  299   1H5*    C  29          1H5*        C  29  37.175 -11.556 -14.109
  300   2H5*    C  29          2H5*        C  29  36.400 -12.958 -14.874
  301    H4*    C  29           H4*        C  29  34.759 -11.250 -14.957
  302    H3*    C  29           H3*        C  29  36.267 -11.578 -17.569
  303    H2*    C  29           H2*        C  29  35.018  -9.806 -18.523
  304   2HO*    C  29          2HO*        C  29  33.188  -8.918 -17.316
  305    H1*    C  29           H1*        C  29  35.030  -8.114 -16.397
  306   1H4     C  29          1H4         C  29  39.982  -6.237 -19.896
  307   2H4     C  29          2H4         C  29  40.824  -7.741 -19.601
  308    H5     C  29           H5         C  29  39.883  -9.549 -18.340
  309    H6     C  29           H6         C  29  37.942 -10.317 -17.061
  310   1H5*    C  30          1H5*        C  30  32.149 -10.547 -18.272
  311   2H5*    C  30          2H5*        C  30  31.735 -11.012 -19.933
  312    H4*    C  30           H4*        C  30  31.895  -8.480 -19.369
  313    H3*    C  30           H3*        C  30  33.362  -9.776 -21.687
  314    H2*    C  30           H2*        C  30  33.994  -7.627 -22.369
  315   2HO*    C  30          2HO*        C  30  32.901  -5.775 -21.147
  316    H1*    C  30           H1*        C  30  34.228  -6.565 -19.768
  317   1H4     C  30          1H4         C  30  40.127  -7.198 -22.042
  318   2H4     C  30          2H4         C  30  40.019  -8.940 -21.918
  319    H5     C  30           H5         C  30  38.009 -10.087 -21.238
  320    H6     C  30           H6         C  30  35.688  -9.828 -20.548
  321    H3T    C  30           H3T        C  30  31.091  -8.103 -21.819
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1  38.060   1.840 -25.014
    2   2H5*    G   1          2H5*        G   1  38.955   3.099 -24.138
    3    H4*    G   1           H4*        G   1  36.604   3.064 -23.430
    4    H3*    G   1           H3*        G   1  38.824   2.384 -21.527
    5    H2*    G   1           H2*        G   1  37.337   1.648 -19.807
    6   2HO*    G   1          2HO*        G   1  35.066   2.109 -19.958
    7    H1*    G   1           H1*        G   1  35.545   0.292 -21.297
    8    H8     G   1           H8         G   1  39.244   0.217 -22.411
    9    H1     G   1           H1         G   1  37.451  -4.724 -18.819
   10   1H2     G   1          1H2         G   1  35.374  -4.428 -18.099
   11   2H2     G   1          2H2         G   1  34.434  -3.008 -18.499
   12    H5T    G   1           H5T        G   1  39.310   0.403 -24.175
   13   1H5*    G   2          1H5*        G   2  35.997   3.837 -19.459
   14   2H5*    G   2          2H5*        G   2  36.358   4.887 -18.075
   15    H4*    G   2           H4*        G   2  35.403   2.736 -17.328
   16    H3*    G   2           H3*        G   2  38.259   3.459 -16.662
   17    H2*    G   2           H2*        G   2  38.669   1.368 -15.781
   18   2HO*    G   2          2HO*        G   2  37.378   0.647 -14.263
   19    H1*    G   2           H1*        G   2  36.492  -0.060 -16.993
   20    H8     G   2           H8         G   2  39.360   1.284 -19.046
   21    H1     G   2           H1         G   2  40.719  -4.282 -16.245
   22   1H2     G   2          1H2         G   2  39.065  -4.861 -14.883
   23   2H2     G   2          2H2         G   2  37.635  -3.876 -14.669
   24   1H5*    G   3          1H5*        G   3  35.349   2.839 -13.005
   25   2H5*    G   3          2H5*        G   3  36.089   3.436 -11.507
   26    H4*    G   3           H4*        G   3  35.250   1.022 -11.464
   27    H3*    G   3           H3*        G   3  38.096   1.830 -10.765
   28    H2*    G   3           H2*        G   3  38.580  -0.420 -10.279
   29   2HO*    G   3          2HO*        G   3  35.823  -1.096 -10.439
   30    H1*    G   3           H1*        G   3  37.104  -1.589 -12.272
   31    H8     G   3           H8         G   3  39.034   1.291 -13.643
   32    H1     G   3           H1         G   3  42.683  -3.854 -12.719
   33   1H2     G   3          1H2         G   3  41.587  -5.360 -11.518
   34   2H2     G   3          2H2         G   3  39.955  -5.092 -10.943
   35   1H5*    C   4          1H5*        C   4  36.404  -0.774  -8.520
   36   2H5*    C   4          2H5*        C   4  35.957  -0.403  -6.843
   37    H4*    C   4           H4*        C   4  36.627  -2.630  -6.668
   38    H3*    C   4           H3*        C   4  38.962  -0.784  -6.094
   39    H2*    C   4           H2*        C   4  40.382  -2.675  -5.791
   40   2HO*    C   4          2HO*        C   4  39.630  -4.637  -5.280
   41    H1*    C   4           H1*        C   4  39.574  -4.083  -7.948
   42   1H4     C   4          1H4         C   4  44.280  -0.400 -10.161
   43   2H4     C   4          2H4         C   4  43.212   0.975 -10.166
   44    H5     C   4           H5         C   4  40.996   0.920  -9.337
   45    H6     C   4           H6         C   4  39.253  -0.446  -8.309
   46   1H5*    U   5          1H5*        U   5  38.880  -3.716  -3.166
   47   2H5*    U   5          2H5*        U   5  39.753  -3.297  -1.678
   48    H4*    U   5           H4*        U   5  40.867  -5.072  -3.098
   49    H3*    U   5           H3*        U   5  42.285  -2.458  -2.445
   50    H2*    U   5           H2*        U   5  44.230  -3.409  -3.461
   51   2HO*    U   5          2HO*        U   5  42.950  -5.761  -2.813
   52    H1*    U   5           H1*        U   5  42.941  -4.486  -5.619
   53    H3     U   5           H3         U   5  45.342  -1.022  -7.284
   54    H5     U   5           H5         U   5  42.079   0.811  -5.388
   55    H6     U   5           H6         U   5  41.447  -1.348  -4.502
   56   1H5*    G   6          1H5*        G   6  44.293  -5.777  -1.657
   57   2H5*    G   6          2H5*        G   6  45.609  -5.851  -0.470
   58    H4*    G   6           H4*        G   6  46.287  -6.230  -2.896
   59    H3*    G   6           H3*        G   6  47.516  -4.040  -1.176
   60    H2*    G   6           H2*        G   6  49.025  -3.613  -2.966
   61   2HO*    G   6          2HO*        G   6  48.370  -6.247  -3.636
   62    H1*    G   6           H1*        G   6  47.196  -3.920  -5.011
   63    H8     G   6           H8         G   6  45.348  -1.848  -2.633
   64    H1     G   6           H1         G   6  50.293   1.416  -4.962
   65   1H2     G   6          1H2         G   6  51.645   0.045  -6.065
   66   2H2     G   6          2H2         G   6  51.352  -1.673  -6.192
   67   1H5*    U   7          1H5*        U   7  50.221  -5.715  -2.498
   68   2H5*    U   7          2H5*        U   7  51.395  -6.801  -1.728
   69    H4*    U   7           H4*        U   7  52.948  -5.423  -2.653
   70    H3*    U   7           H3*        U   7  51.934  -3.833  -0.268
   71    H2*    U   7           H2*        U   7  53.304  -2.033  -0.946
   72   2HO*    U   7          2HO*        U   7  54.898  -3.976  -1.804
   73    H1*    U   7           H1*        U   7  52.876  -2.219  -3.632
   74    H3     U   7           H3         U   7  50.795   1.629  -2.570
   75    H5     U   7           H5         U   7  48.561  -1.261  -0.532
   76    H6     U   7           H6         U   7  50.146  -2.939  -1.261
   77   1H5*    U   8          1H5*        U   8  56.752  -4.066  -0.080
   78   2H5*    U   8          2H5*        U   8  56.975  -4.061   1.680
   79    H4*    U   8           H4*        U   8  58.374  -2.353   0.480
   80    H3*    U   8           H3*        U   8  56.298  -1.503   2.536
   81    H2*    U   8           H2*        U   8  57.040   0.752   2.254
   82   2HO*    U   8          2HO*        U   8  59.112  -0.229   0.549
   83    H1*    U   8           H1*        U   8  57.073   0.734  -0.451
   84    H3     U   8           H3         U   8  53.363   3.010   0.882
   85    H5     U   8           H5         U   8  52.273  -1.053   1.096
   86    H6     U   8           H6         U   8  54.595  -1.625   0.678
   87   1H5*    U   9          1H5*        U   9  59.836   0.875   3.042
   88   2H5*    U   9          2H5*        U   9  60.005   1.238   4.770
   89    H4*    U   9           H4*        U   9  59.671   3.219   3.119
   90    H3*    U   9           H3*        U   9  58.020   2.818   5.650
   91    H2*    U   9           H2*        U   9  57.040   4.929   5.219
   92   2HO*    U   9          2HO*        U   9  58.355   5.843   3.074
   93    H1*    U   9           H1*        U   9  56.958   4.664   2.436
   94    H3     U   9           H3         U   9  52.746   5.209   4.217
   95    H5     U   9           H5         U   9  53.604   1.086   4.471
   96    H6     U   9           H6         U   9  55.888   1.589   3.856
   97   1H5*    U  10          1H5*        U  10  60.711   6.341   7.178
   98   2H5*    U  10          2H5*        U  10  60.398   6.207   8.920
   99    H4*    U  10           H4*        U  10  59.464   8.266   7.545
  100    H3*    U  10           H3*        U  10  57.954   6.658   9.648
  101    H2*    U  10           H2*        U  10  56.152   8.148   9.357
  102   2HO*    U  10          2HO*        U  10  58.202   9.891   8.669
  103    H1*    U  10           H1*        U  10  56.538   8.619   6.611
  104    H3     U  10           H3         U  10  52.295   7.109   7.397
  105    H5     U  10           H5         U  10  54.716   3.661   7.442
  106    H6     U  10           H6         U  10  56.665   5.113   7.368
  107   1H5*    U  11          1H5*        U  11  57.250  10.805  10.323
  108   2H5*    U  11          2H5*        U  11  57.612  11.137  12.028
  109    H4*    U  11           H4*        U  11  55.402  12.024  11.469
  110    H3*    U  11           H3*        U  11  55.456   9.572  13.269
  111    H2*    U  11           H2*        U  11  53.109   9.727  13.432
  112   2HO*    U  11          2HO*        U  11  53.595  12.425  12.797
  113    H1*    U  11           H1*        U  11  52.607  10.632  10.855
  114    H3     U  11           H3         U  11  50.371   6.714  11.225
  115    H5     U  11           H5         U  11  54.424   5.581  11.043
  116    H6     U  11           H6         U  11  55.015   7.919  11.122
  117   1H5*    C  12          1H5*        C  12  53.403  12.874  15.901
  118   2H5*    C  12          2H5*        C  12  53.602  12.177  17.521
  119    H4*    C  12           H4*        C  12  51.190  12.501  16.650
  120    H3*    C  12           H3*        C  12  52.271   9.869  17.745
  121    H2*    C  12           H2*        C  12  50.084   8.989  17.545
  122   2HO*    C  12          2HO*        C  12  48.266  10.286  17.381
  123    H1*    C  12           H1*        C  12  49.428  10.277  15.160
  124   1H4     C  12          1H4         C  12  50.822   4.188  13.949
  125   2H4     C  12          2H4         C  12  52.528   4.528  14.069
  126    H5     C  12           H5         C  12  53.397   6.686  14.674
  127    H6     C  12           H6         C  12  52.819   8.955  15.320
  128   1H5*    U  13          1H5*        U  13  50.763   7.823  21.156
  129   2H5*    U  13          2H5*        U  13  51.163   7.985  19.434
  130    H4*    U  13           H4*        U  13  48.272   8.079  19.821
  131    H3*    U  13           H3*        U  13  49.813   5.812  21.135
  132    H2*    U  13           H2*        U  13  48.367   4.251  20.178
  133   2HO*    U  13          2HO*        U  13  46.482   6.388  20.187
  134    H1*    U  13           H1*        U  13  47.520   5.832  17.946
  135    H3     U  13           H3         U  13  48.487   1.426  16.900
  136    H5     U  13           H5         U  13  52.124   3.555  16.679
  137    H6     U  13           H6         U  13  51.015   5.435  17.704
  138   1H5*    C  14          1H5*        C  14  46.167   5.075  21.531
  139   2H5*    C  14          2H5*        C  14  45.448   4.900  23.143
  140    H4*    C  14           H4*        C  14  44.767   2.983  21.902
  141    H3*    C  14           H3*        C  14  47.014   2.478  23.874
  142    H2*    C  14           H2*        C  14  47.144   0.221  23.208
  143   2HO*    C  14          2HO*        C  14  45.121  -0.544  23.176
  144    H1*    C  14           H1*        C  14  46.693   0.565  20.507
  145   1H4     C  14          1H4         C  14  52.997   0.086  21.219
  146   2H4     C  14          2H4         C  14  53.073   1.743  21.773
  147    H5     C  14           H5         C  14  51.120   3.108  22.131
  148    H6     C  14           H6         C  14  48.670   3.172  22.028
  149   1H5*    G  15          1H5*        G  15  45.815  -0.789  27.544
  150   2H5*    G  15          2H5*        G  15  46.949   0.448  26.963
  151    H4*    G  15           H4*        G  15  46.349  -2.111  25.441
  152    H3*    G  15           H3*        G  15  47.649  -2.167  27.865
  153    H2*    G  15           H2*        G  15  49.241  -0.445  27.260
  154   2HO*    G  15          2HO*        G  15  51.195  -1.749  26.605
  155    H1*    G  15           H1*        G  15  49.594  -1.930  24.638
  156    H8     G  15           H8         G  15  51.555  -0.724  23.562
  157    H1     G  15           H1         G  15  50.088   4.936  26.084
  158   1H2     G  15          1H2         G  15  48.281   4.754  27.349
  159   2H2     G  15          2H2         G  15  47.436   3.239  27.565
  160   1H5*    C  16          1H5*        C  16  45.590  -4.792  22.937
  161   2H5*    C  16          2H5*        C  16  47.069  -5.556  23.553
  162    H4*    C  16           H4*        C  16  46.820  -3.063  21.842
  163    H3*    C  16           H3*        C  16  47.529  -5.848  21.364
  164    H2*    C  16           H2*        C  16  49.827  -5.586  21.582
  165   2HO*    C  16          2HO*        C  16  49.248  -5.093  19.201
  166    H1*    C  16           H1*        C  16  49.709  -2.596  21.271
  167   1H4     C  16          1H4         C  16  55.246  -3.293  24.334
  168   2H4     C  16          2H4         C  16  54.572  -4.534  25.366
  169    H5     C  16           H5         C  16  52.302  -5.337  25.161
  170    H6     C  16           H6         C  16  50.203  -5.106  23.930
  171   1H5*    U  17          1H5*        U  17  46.412  -4.438  16.342
  172   2H5*    U  17          2H5*        U  17  47.815  -5.162  15.537
  173    H4*    U  17           H4*        U  17  47.243  -2.340  16.148
  174    H3*    U  17           H3*        U  17  48.722  -3.917  14.133
  175    H2*    U  17           H2*        U  17  50.795  -3.006  14.582
  176   2HO*    U  17          2HO*        U  17  50.326  -0.382  14.598
  177    H1*    U  17           H1*        U  17  49.777  -0.885  16.414
  178    H3     U  17           H3         U  17  54.436  -1.002  16.399
  179    H5     U  17           H5         U  17  53.132  -4.108  18.923
  180    H6     U  17           H6         U  17  50.862  -3.733  18.103
  181   1H5*    G  18          1H5*        G  18  44.509  -2.911  13.273
  182   2H5*    G  18          2H5*        G  18  44.076  -2.230  11.691
  183    H4*    G  18           H4*        G  18  42.599  -1.371  13.472
  184    H3*    G  18           H3*        G  18  44.314   0.395  11.803
  185    H2*    G  18           H2*        G  18  44.303   2.259  13.224
  186   2HO*    G  18          2HO*        G  18  42.350   1.636  15.008
  187    H1*    G  18           H1*        G  18  44.162   1.109  15.704
  188    H8     G  18           H8         G  18  46.666  -1.063  14.446
  189    H1     G  18           H1         G  18  49.010   4.845  14.471
  190   1H2     G  18          1H2         G  18  47.361   6.322  14.706
  191   2H2     G  18          2H2         G  18  45.685   5.844  14.858
  192   1H5*    A  19          1H5*        A  19  41.177   2.888  12.262
  193   2H5*    A  19          2H5*        A  19  40.116   2.943  10.839
  194    H4*    A  19           H4*        A  19  40.414   5.207  11.163
  195    H3*    A  19           H3*        A  19  42.713   4.224   9.441
  196    H2*    A  19           H2*        A  19  43.604   6.449   9.421
  197   2HO*    A  19          2HO*        A  19  42.441   8.194  10.024
  198    H1*    A  19           H1*        A  19  43.522   6.794  12.065
  199    H8     A  19           H8         A  19  43.803   3.101  11.216
  200   1H6     A  19          1H6         A  19  49.903   3.869  11.086
  201   2H6     A  19          2H6         A  19  48.603   2.700  11.031
  202    H2     A  19           H2         A  19  47.994   7.917  11.485
  203   1H5*    C  20          1H5*        C  20  41.697   7.744   8.170
  204   2H5*    C  20          2H5*        C  20  42.060   8.131   6.477
  205    H4*    C  20           H4*        C  20  43.488   9.291   8.282
  206    H3*    C  20           H3*        C  20  44.701   7.684   5.996
  207    H2*    C  20           H2*        C  20  46.805   8.525   6.706
  208   2HO*    C  20          2HO*        C  20  45.580  10.301   8.547
  209    H1*    C  20           H1*        C  20  46.213   8.424   9.441
  210   1H4     C  20          1H4         C  20  50.205   3.701   7.880
  211   2H4     C  20          2H4         C  20  48.834   2.609   7.895
  212    H5     C  20           H5         C  20  46.539   3.372   8.117
  213    H6     C  20           H6         C  20  45.089   5.336   8.356
  214   1H5*    U  21          1H5*        U  21  46.147  11.444   4.697
  215   2H5*    U  21          2H5*        U  21  46.374  11.338   2.940
  216    H4*    U  21           H4*        U  21  48.491  11.273   4.441
  217    H3*    U  21           H3*        U  21  47.813   9.342   2.204
  218    H2*    U  21           H2*        U  21  49.644   8.027   2.722
  219   2HO*    U  21          2HO*        U  21  50.986  10.193   3.978
  220    H1*    U  21           H1*        U  21  50.047   8.944   5.425
  221    H3     U  21           H3         U  21  50.779   4.429   5.090
  222    H5     U  21           H5         U  21  46.598   4.915   5.176
  223    H6     U  21           H6         U  21  46.949   7.308   4.913
  224   1H5*    U  22          1H5*        U  22  52.009  11.334   1.309
  225   2H5*    U  22          2H5*        U  22  52.111  11.287  -0.462
  226    H4*    U  22           H4*        U  22  54.060  10.218   0.778
  227    H3*    U  22           H3*        U  22  52.380   8.750  -1.282
  228    H2*    U  22           H2*        U  22  53.777   6.844  -1.021
  229   2HO*    U  22          2HO*        U  22  55.783   7.971  -1.002
  230    H1*    U  22           H1*        U  22  53.970   6.911   1.696
  231    H3     U  22           H3         U  22  51.306   3.399   0.434
  232    H5     U  22           H5         U  22  48.762   6.744   0.634
  233    H6     U  22           H6         U  22  50.738   8.120   0.891
  234   1H5*    U  23          1H5*        U  23  56.530   8.466  -2.539
  235   2H5*    U  23          2H5*        U  23  56.702   9.141  -4.172
  236    H4*    U  23           H4*        U  23  57.853   7.087  -4.291
  237    H3*    U  23           H3*        U  23  55.022   6.882  -5.355
  238    H2*    U  23           H2*        U  23  55.326   4.574  -5.757
  239   2HO*    U  23          2HO*        U  23  57.328   4.663  -6.791
  240    H1*    U  23           H1*        U  23  56.785   3.941  -3.543
  241    H3     U  23           H3         U  23  52.896   1.807  -2.702
  242    H5     U  23           H5         U  23  51.905   5.889  -2.328
  243    H6     U  23           H6         U  23  54.123   6.433  -3.128
  244   1H5*    C  24          1H5*        C  24  57.602   5.143  -8.625
  245   2H5*    C  24          2H5*        C  24  56.747   5.516 -10.135
  246    H4*    C  24           H4*        C  24  57.052   3.052  -9.712
  247    H3*    C  24           H3*        C  24  54.290   4.293  -9.977
  248    H2*    C  24           H2*        C  24  53.336   2.131  -9.773
  249   2HO*    C  24          2HO*        C  24  55.953   1.004  -9.991
  250    H1*    C  24           H1*        C  24  55.036   1.171  -7.828
  251   1H4     C  24          1H4         C  24  49.784   3.102  -4.791
  252   2H4     C  24          2H4         C  24  50.268   4.772  -4.972
  253    H5     C  24           H5         C  24  52.213   5.460  -6.200
  254    H6     C  24           H6         C  24  54.130   4.698  -7.524
  255   1H5*    A  25          1H5*        A  25  55.106   0.916 -12.093
  256   2H5*    A  25          2H5*        A  25  54.189   0.465 -13.545
  257    H4*    A  25           H4*        A  25  54.034  -1.048 -11.405
  258    H3*    A  25           H3*        A  25  51.788  -0.120 -13.206
  259    H2*    A  25           H2*        A  25  50.182  -1.047 -11.812
  260   2HO*    A  25          2HO*        A  25  52.119  -2.740 -10.593
  261    H1*    A  25           H1*        A  25  51.646  -0.998  -9.376
  262    H8     A  25           H8         A  25  51.229   2.414 -10.705
  263   1H6     A  25          1H6         A  25  45.583   2.469  -8.197
  264   2H6     A  25          2H6         A  25  46.835   3.460  -8.915
  265    H2     A  25           H2         A  25  47.092  -1.754  -8.202
  266   1H5*    G  26          1H5*        G  26  52.729  -5.129 -13.205
  267   2H5*    G  26          2H5*        G  26  51.490  -5.756 -14.309
  268    H4*    G  26           H4*        G  26  51.780  -6.911 -11.999
  269    H3*    G  26           H3*        G  26  49.152  -6.021 -13.233
  270    H2*    G  26           H2*        G  26  48.002  -6.903 -11.327
  271   2HO*    G  26          2HO*        G  26  49.063  -8.204  -9.796
  272    H1*    G  26           H1*        G  26  49.620  -5.857  -9.446
  273    H8     G  26           H8         G  26  49.781  -3.187 -11.840
  274    H1     G  26           H1         G  26  43.885  -3.501  -9.523
  275   1H2     G  26          1H2         G  26  43.576  -5.418  -8.460
  276   2H2     G  26          2H2         G  26  44.830  -6.632  -8.319
  277   1H5*    C  27          1H5*        C  27  48.825  -9.682 -12.010
  278   2H5*    C  27          2H5*        C  27  48.280 -11.028 -13.030
  279    H4*    C  27           H4*        C  27  46.888 -11.078 -11.095
  280    H3*    C  27           H3*        C  27  45.566  -9.830 -13.526
  281    H2*    C  27           H2*        C  27  43.564  -9.530 -12.226
  282   2HO*    C  27          2HO*        C  27  43.140 -10.732 -10.515
  283    H1*    C  27           H1*        C  27  44.741  -8.434 -10.096
  284   1H4     C  27          1H4         C  27  43.860  -3.435 -13.917
  285   2H4     C  27          2H4         C  27  45.407  -3.745 -14.669
  286    H5     C  27           H5         C  27  46.735  -5.691 -14.198
  287    H6     C  27           H6         C  27  46.886  -7.758 -12.916
  288   1H5*    C  28          1H5*        C  28  42.960 -11.818 -11.965
  289   2H5*    C  28          2H5*        C  28  41.918 -12.926 -12.877
  290    H4*    C  28           H4*        C  28  40.487 -11.245 -11.929
  291    H3*    C  28           H3*        C  28  41.063 -10.799 -14.890
  292    H2*    C  28           H2*        C  28  39.459  -9.030 -14.809
  293   2HO*    C  28          2HO*        C  28  38.030 -10.355 -13.360
  294    H1*    C  28           H1*        C  28  40.304  -7.984 -12.414
  295   1H4     C  28          1H4         C  28  43.192  -4.644 -17.002
  296   2H4     C  28          2H4         C  28  44.493  -5.814 -17.029
  297    H5     C  28           H5         C  28  44.453  -7.865 -15.740
  298    H6     C  28           H6         C  28  43.157  -9.228 -14.214
  299   1H5*    C  29          1H5*        C  29  36.944 -11.573 -14.017
  300   2H5*    C  29          2H5*        C  29  36.200 -12.918 -14.903
  301    H4*    C  29           H4*        C  29  34.567 -11.196 -14.929
  302    H3*    C  29           H3*        C  29  36.167 -11.369 -17.502
  303    H2*    C  29           H2*        C  29  34.886  -9.583 -18.397
  304   2HO*    C  29          2HO*        C  29  33.143 -10.120 -16.209
  305    H1*    C  29           H1*        C  29  34.863  -7.997 -16.195
  306   1H4     C  29          1H4         C  29  39.836  -5.976 -19.588
  307   2H4     C  29          2H4         C  29  40.694  -7.472 -19.312
  308    H5     C  29           H5         C  29  39.762  -9.318 -18.103
  309    H6     C  29           H6         C  29  37.815 -10.138 -16.865
  310   1H5*    C  30          1H5*        C  30  32.151 -10.418 -18.244
  311   2H5*    C  30          2H5*        C  30  31.720 -10.816 -19.918
  312    H4*    C  30           H4*        C  30  31.849  -8.315 -19.275
  313    H3*    C  30           H3*        C  30  33.377  -9.495 -21.614
  314    H2*    C  30           H2*        C  30  33.976  -7.312 -22.200
  315   2HO*    C  30          2HO*        C  30  31.555  -6.707 -21.568
  316    H1*    C  30           H1*        C  30  34.117  -6.340 -19.555
  317   1H4     C  30          1H4         C  30  40.058  -6.664 -21.783
  318   2H4     C  30          2H4         C  30  40.029  -8.411 -21.683
  319    H5     C  30           H5         C  30  38.062  -9.663 -21.041
  320    H6     C  30           H6         C  30  35.724  -9.511 -20.375
  321    H3T    C  30           H3T        C  30  30.923  -9.453 -21.320
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1  38.632   0.663 -25.539
    2   2H5*    G   1          2H5*        G   1  39.185   2.311 -25.174
    3    H4*    G   1           H4*        G   1  37.038   2.271 -24.241
    4    H3*    G   1           H3*        G   1  39.223   1.786 -22.241
    5    H2*    G   1           H2*        G   1  37.709   1.131 -20.508
    6   2HO*    G   1          2HO*        G   1  35.675   2.256 -22.177
    7    H1*    G   1           H1*        G   1  35.971  -0.351 -21.943
    8    H8     G   1           H8         G   1  39.732  -0.442 -22.881
    9    H1     G   1           H1         G   1  37.754  -5.307 -19.279
   10   1H2     G   1          1H2         G   1  35.634  -4.996 -18.678
   11   2H2     G   1          2H2         G   1  34.716  -3.591 -19.168
   12    H5T    G   1           H5T        G   1  40.823   1.027 -24.562
   13   1H5*    G   2          1H5*        G   2  36.293   3.330 -20.391
   14   2H5*    G   2          2H5*        G   2  36.554   4.506 -19.089
   15    H4*    G   2           H4*        G   2  35.634   2.414 -18.176
   16    H3*    G   2           H3*        G   2  38.476   3.206 -17.508
   17    H2*    G   2           H2*        G   2  38.832   1.212 -16.389
   18   2HO*    G   2          2HO*        G   2  37.224   0.204 -15.191
   19    H1*    G   2           H1*        G   2  36.787  -0.354 -17.611
   20    H8     G   2           H8         G   2  39.691   1.000 -19.627
   21    H1     G   2           H1         G   2  41.127  -4.373 -16.517
   22   1H2     G   2          1H2         G   2  39.450  -4.939 -15.184
   23   2H2     G   2          2H2         G   2  37.983  -3.995 -15.063
   24   1H5*    G   3          1H5*        G   3  35.406   2.935 -13.980
   25   2H5*    G   3          2H5*        G   3  35.980   3.788 -12.532
   26    H4*    G   3           H4*        G   3  35.224   1.410 -12.121
   27    H3*    G   3           H3*        G   3  37.998   2.422 -11.446
   28    H2*    G   3           H2*        G   3  38.707   0.316 -10.817
   29   2HO*    G   3          2HO*        G   3  35.948  -0.330 -10.486
   30    H1*    G   3           H1*        G   3  37.194  -1.253 -12.517
   31    H8     G   3           H8         G   3  39.028   1.517 -14.264
   32    H1     G   3           H1         G   3  42.744  -3.495 -12.980
   33   1H2     G   3          1H2         G   3  41.694  -4.890 -11.620
   34   2H2     G   3          2H2         G   3  40.076  -4.586 -11.028
   35   1H5*    C   4          1H5*        C   4  35.940  -0.044  -8.668
   36   2H5*    C   4          2H5*        C   4  36.020   0.448  -6.965
   37    H4*    C   4           H4*        C   4  36.422  -1.948  -7.125
   38    H3*    C   4           H3*        C   4  38.804  -0.196  -6.425
   39    H2*    C   4           H2*        C   4  40.128  -2.170  -6.191
   40   2HO*    C   4          2HO*        C   4  38.763  -3.559  -5.119
   41    H1*    C   4           H1*        C   4  39.286  -3.405  -8.446
   42   1H4     C   4          1H4         C   4  44.298   0.105 -10.248
   43   2H4     C   4          2H4         C   4  43.272   1.512 -10.351
   44    H5     C   4           H5         C   4  40.998   1.526  -9.688
   45    H6     C   4           H6         C   4  39.145   0.225  -8.784
   46   1H5*    U   5          1H5*        U   5  38.628  -3.213  -3.252
   47   2H5*    U   5          2H5*        U   5  39.698  -2.667  -1.946
   48    H4*    U   5           H4*        U   5  40.461  -4.670  -3.429
   49    H3*    U   5           H3*        U   5  42.149  -2.240  -2.714
   50    H2*    U   5           H2*        U   5  43.978  -3.289  -3.841
   51   2HO*    U   5          2HO*        U   5  43.144  -5.560  -4.775
   52    H1*    U   5           H1*        U   5  42.577  -4.108  -6.024
   53    H3     U   5           H3         U   5  45.179  -0.651  -7.398
   54    H5     U   5           H5         U   5  41.916   1.177  -5.501
   55    H6     U   5           H6         U   5  41.198  -1.005  -4.746
   56   1H5*    G   6          1H5*        G   6  44.016  -5.668  -1.971
   57   2H5*    G   6          2H5*        G   6  45.301  -5.783  -0.752
   58    H4*    G   6           H4*        G   6  46.070  -6.098  -3.144
   59    H3*    G   6           H3*        G   6  47.198  -3.869  -1.398
   60    H2*    G   6           H2*        G   6  48.739  -3.417  -3.159
   61   2HO*    G   6          2HO*        G   6  48.266  -5.153  -5.056
   62    H1*    G   6           H1*        G   6  46.946  -3.705  -5.222
   63    H8     G   6           H8         G   6  44.998  -1.754  -2.815
   64    H1     G   6           H1         G   6  49.923   1.689  -4.916
   65   1H2     G   6          1H2         G   6  51.336   0.382  -6.029
   66   2H2     G   6          2H2         G   6  51.081  -1.336  -6.223
   67   1H5*    U   7          1H5*        U   7  49.993  -5.468  -2.724
   68   2H5*    U   7          2H5*        U   7  51.151  -6.552  -1.929
   69    H4*    U   7           H4*        U   7  52.715  -5.200  -2.879
   70    H3*    U   7           H3*        U   7  51.749  -3.608  -0.477
   71    H2*    U   7           H2*        U   7  53.109  -1.799  -1.169
   72   2HO*    U   7          2HO*        U   7  55.029  -2.524  -1.806
   73    H1*    U   7           H1*        U   7  52.562  -1.898  -3.815
   74    H3     U   7           H3         U   7  50.340   1.783  -2.493
   75    H5     U   7           H5         U   7  48.249  -1.328  -0.622
   76    H6     U   7           H6         U   7  49.913  -2.881  -1.449
   77   1H5*    U   8          1H5*        U   8  56.558  -3.625  -0.373
   78   2H5*    U   8          2H5*        U   8  56.797  -3.658   1.384
   79    H4*    U   8           H4*        U   8  58.078  -1.830   0.247
   80    H3*    U   8           H3*        U   8  55.927  -1.149   2.290
   81    H2*    U   8           H2*        U   8  56.531   1.146   2.062
   82   2HO*    U   8          2HO*        U   8  58.446   1.801   1.234
   83    H1*    U   8           H1*        U   8  56.696   1.171  -0.652
   84    H3     U   8           H3         U   8  52.883   3.382   0.435
   85    H5     U   8           H5         U   8  51.892  -0.696   0.823
   86    H6     U   8           H6         U   8  54.236  -1.224   0.489
   87   1H5*    U   9          1H5*        U   9  59.499   1.148   3.193
   88   2H5*    U   9          2H5*        U   9  59.560   1.442   4.941
   89    H4*    U   9           H4*        U   9  59.407   3.494   3.354
   90    H3*    U   9           H3*        U   9  57.596   3.045   5.762
   91    H2*    U   9           H2*        U   9  56.664   5.185   5.352
   92   2HO*    U   9          2HO*        U   9  59.100   5.807   4.659
   93    H1*    U   9           H1*        U   9  56.687   5.025   2.574
   94    H3     U   9           H3         U   9  52.381   5.387   4.164
   95    H5     U   9           H5         U   9  53.365   1.287   4.385
   96    H6     U   9           H6         U   9  55.653   1.874   3.872
   97   1H5*    U  10          1H5*        U  10  60.293   6.493   7.199
   98   2H5*    U  10          2H5*        U  10  60.175   6.460   8.970
   99    H4*    U  10           H4*        U  10  59.172   8.509   7.777
  100    H3*    U  10           H3*        U  10  57.587   6.779   9.724
  101    H2*    U  10           H2*        U  10  55.814   8.329   9.508
  102   2HO*    U  10          2HO*        U  10  56.631  10.314   8.038
  103    H1*    U  10           H1*        U  10  56.183   8.881   6.798
  104    H3     U  10           H3         U  10  52.011   7.165   7.444
  105    H5     U  10           H5         U  10  54.574   3.820   7.546
  106    H6     U  10           H6         U  10  56.458   5.350   7.516
  107   1H5*    U  11          1H5*        U  11  56.996  11.083  10.758
  108   2H5*    U  11          2H5*        U  11  57.192  11.113  12.522
  109    H4*    U  11           H4*        U  11  55.057  12.173  11.727
  110    H3*    U  11           H3*        U  11  55.037   9.760  13.572
  111    H2*    U  11           H2*        U  11  52.679   9.841  13.615
  112   2HO*    U  11          2HO*        U  11  52.563  12.112  14.031
  113    H1*    U  11           H1*        U  11  52.251  10.616  11.008
  114    H3     U  11           H3         U  11  50.324   6.531  11.384
  115    H5     U  11           H5         U  11  54.459   5.738  11.351
  116    H6     U  11           H6         U  11  54.856   8.116  11.404
  117   1H5*    C  12          1H5*        C  12  52.739  12.960  16.086
  118   2H5*    C  12          2H5*        C  12  52.940  12.289  17.716
  119    H4*    C  12           H4*        C  12  50.536  12.447  16.765
  120    H3*    C  12           H3*        C  12  51.771   9.953  17.994
  121    H2*    C  12           H2*        C  12  49.709   8.844  17.713
  122   2HO*    C  12          2HO*        C  12  47.889   9.899  17.980
  123    H1*    C  12           H1*        C  12  49.031   9.951  15.261
  124   1H4     C  12          1H4         C  12  51.305   4.079  14.347
  125   2H4     C  12          2H4         C  12  52.938   4.672  14.478
  126    H5     C  12           H5         C  12  53.467   6.952  15.014
  127    H6     C  12           H6         C  12  52.547   9.129  15.564
  128   1H5*    U  13          1H5*        U  13  49.548   8.139  21.713
  129   2H5*    U  13          2H5*        U  13  50.609   7.778  20.335
  130    H4*    U  13           H4*        U  13  47.615   7.605  19.966
  131    H3*    U  13           H3*        U  13  49.377   5.631  21.470
  132    H2*    U  13           H2*        U  13  48.302   3.879  20.354
  133   2HO*    U  13          2HO*        U  13  46.094   5.368  19.491
  134    H1*    U  13           H1*        U  13  47.465   5.391  18.062
  135    H3     U  13           H3         U  13  49.097   1.146  17.125
  136    H5     U  13           H5         U  13  52.400   3.773  17.135
  137    H6     U  13           H6         U  13  50.966   5.469  18.093
  138   1H5*    C  14          1H5*        C  14  45.808   4.295  21.370
  139   2H5*    C  14          2H5*        C  14  44.956   4.066  22.910
  140    H4*    C  14           H4*        C  14  44.590   2.059  21.723
  141    H3*    C  14           H3*        C  14  46.809   1.852  23.774
  142    H2*    C  14           H2*        C  14  47.266  -0.373  23.134
  143   2HO*    C  14          2HO*        C  14  45.637  -1.308  21.490
  144    H1*    C  14           H1*        C  14  46.927  -0.099  20.423
  145   1H4     C  14          1H4         C  14  53.180   0.476  21.408
  146   2H4     C  14          2H4         C  14  52.952   2.083  22.059
  147    H5     C  14           H5         C  14  50.785   3.081  22.388
  148    H6     C  14           H6         C  14  48.366   2.745  22.152
  149   1H5*    G  15          1H5*        G  15  46.031  -1.372  27.504
  150   2H5*    G  15          2H5*        G  15  46.986  -0.054  26.797
  151    H4*    G  15           H4*        G  15  46.662  -2.725  25.401
  152    H3*    G  15           H3*        G  15  47.859  -2.656  27.858
  153    H2*    G  15           H2*        G  15  49.284  -0.770  27.333
  154   2HO*    G  15          2HO*        G  15  51.342  -2.129  26.522
  155    H1*    G  15           H1*        G  15  49.985  -2.171  24.744
  156    H8     G  15           H8         G  15  51.750  -0.652  23.708
  157    H1     G  15           H1         G  15  49.358   4.658  26.289
  158   1H2     G  15          1H2         G  15  47.580   4.164  27.519
  159   2H2     G  15          2H2         G  15  46.988   2.529  27.696
  160   1H5*    C  16          1H5*        C  16  46.269  -5.328  22.822
  161   2H5*    C  16          2H5*        C  16  47.751  -6.041  23.489
  162    H4*    C  16           H4*        C  16  47.447  -3.559  21.785
  163    H3*    C  16           H3*        C  16  48.459  -6.271  21.403
  164    H2*    C  16           H2*        C  16  50.699  -5.766  21.766
  165   2HO*    C  16          2HO*        C  16  50.429  -5.508  19.401
  166    H1*    C  16           H1*        C  16  50.277  -2.810  21.408
  167   1H4     C  16          1H4         C  16  55.692  -2.893  24.750
  168   2H4     C  16          2H4         C  16  55.121  -4.221  25.737
  169    H5     C  16           H5         C  16  52.968  -5.276  25.420
  170    H6     C  16           H6         C  16  50.910  -5.265  24.099
  171   1H5*    U  17          1H5*        U  17  47.689  -5.046  16.265
  172   2H5*    U  17          2H5*        U  17  49.266  -5.564  15.641
  173    H4*    U  17           H4*        U  17  48.282  -2.853  16.302
  174    H3*    U  17           H3*        U  17  50.068  -4.145  14.336
  175    H2*    U  17           H2*        U  17  51.987  -3.036  14.978
  176   2HO*    U  17          2HO*        U  17  51.246  -0.484  15.079
  177    H1*    U  17           H1*        U  17  50.608  -1.145  16.819
  178    H3     U  17           H3         U  17  55.233  -0.753  17.161
  179    H5     U  17           H5         U  17  54.087  -4.064  19.488
  180    H6     U  17           H6         U  17  51.867  -3.921  18.474
  181   1H5*    G  18          1H5*        G  18  45.727  -3.581  13.351
  182   2H5*    G  18          2H5*        G  18  45.293  -2.825  11.804
  183    H4*    G  18           H4*        G  18  43.690  -2.263  13.622
  184    H3*    G  18           H3*        G  18  45.185  -0.251  12.028
  185    H2*    G  18           H2*        G  18  44.959   1.553  13.509
  186   2HO*    G  18          2HO*        G  18  42.610   0.167  14.233
  187    H1*    G  18           H1*        G  18  44.962   0.314  15.949
  188    H8     G  18           H8         G  18  47.672  -1.546  14.665
  189    H1     G  18           H1         G  18  49.388   4.570  14.767
  190   1H2     G  18          1H2         G  18  47.593   5.865  15.004
  191   2H2     G  18          2H2         G  18  45.975   5.215  15.141
  192   1H5*    A  19          1H5*        A  19  41.490   2.068  12.753
  193   2H5*    A  19          2H5*        A  19  40.732   2.056  11.147
  194    H4*    A  19           H4*        A  19  40.685   4.330  11.869
  195    H3*    A  19           H3*        A  19  42.836   3.665   9.851
  196    H2*    A  19           H2*        A  19  43.660   5.902   9.923
  197   2HO*    A  19          2HO*        A  19  42.281   7.466  10.295
  198    H1*    A  19           H1*        A  19  43.798   6.107  12.576
  199    H8     A  19           H8         A  19  44.147   2.468  11.574
  200   1H6     A  19          1H6         A  19  50.193   3.490  11.100
  201   2H6     A  19          2H6         A  19  48.942   2.267  11.104
  202    H2     A  19           H2         A  19  48.144   7.446  11.661
  203   1H5*    C  20          1H5*        C  20  41.463   7.271   8.635
  204   2H5*    C  20          2H5*        C  20  41.811   7.565   6.921
  205    H4*    C  20           H4*        C  20  43.238   8.789   8.743
  206    H3*    C  20           H3*        C  20  44.382   7.301   6.343
  207    H2*    C  20           H2*        C  20  46.492   8.193   6.971
  208   2HO*    C  20          2HO*        C  20  46.244   9.803   8.935
  209    H1*    C  20           H1*        C  20  46.051   7.986   9.734
  210   1H4     C  20          1H4         C  20  50.130   3.488   7.817
  211   2H4     C  20          2H4         C  20  48.805   2.341   7.837
  212    H5     C  20           H5         C  20  46.495   3.003   8.185
  213    H6     C  20           H6         C  20  44.982   4.897   8.565
  214   1H5*    U  21          1H5*        U  21  45.441  11.222   5.153
  215   2H5*    U  21          2H5*        U  21  45.630  11.297   3.389
  216    H4*    U  21           H4*        U  21  47.781  11.243   4.860
  217    H3*    U  21           H3*        U  21  47.188   9.644   2.374
  218    H2*    U  21           H2*        U  21  48.874   8.138   2.774
  219   2HO*    U  21          2HO*        U  21  50.505  10.049   4.070
  220    H1*    U  21           H1*        U  21  49.524   8.990   5.501
  221    H3     U  21           H3         U  21  50.581   4.561   5.100
  222    H5     U  21           H5         U  21  46.383   4.699   5.311
  223    H6     U  21           H6         U  21  46.525   7.116   5.080
  224   1H5*    U  22          1H5*        U  22  51.510  11.671   1.686
  225   2H5*    U  22          2H5*        U  22  51.604  11.639  -0.086
  226    H4*    U  22           H4*        U  22  53.481  10.437   1.196
  227    H3*    U  22           H3*        U  22  51.820   9.185  -1.015
  228    H2*    U  22           H2*        U  22  53.045   7.180  -0.793
  229   2HO*    U  22          2HO*        U  22  54.946   8.719   0.683
  230    H1*    U  22           H1*        U  22  53.361   7.203   1.952
  231    H3     U  22           H3         U  22  50.799   3.577   1.006
  232    H5     U  22           H5         U  22  48.169   6.847   0.729
  233    H6     U  22           H6         U  22  50.089   8.302   0.956
  234   1H5*    U  23          1H5*        U  23  56.185   8.674  -1.973
  235   2H5*    U  23          2H5*        U  23  56.391   9.366  -3.594
  236    H4*    U  23           H4*        U  23  57.531   7.282  -3.665
  237    H3*    U  23           H3*        U  23  54.780   7.217  -4.927
  238    H2*    U  23           H2*        U  23  54.992   4.914  -5.352
  239   2HO*    U  23          2HO*        U  23  57.757   4.995  -4.708
  240    H1*    U  23           H1*        U  23  56.364   4.164  -3.103
  241    H3     U  23           H3         U  23  52.472   2.011  -2.454
  242    H5     U  23           H5         U  23  51.396   6.075  -2.156
  243    H6     U  23           H6         U  23  53.658   6.654  -2.814
  244   1H5*    C  24          1H5*        C  24  57.568   5.382  -8.184
  245   2H5*    C  24          2H5*        C  24  56.708   5.850  -9.664
  246    H4*    C  24           H4*        C  24  57.003   3.347  -9.319
  247    H3*    C  24           H3*        C  24  54.293   4.668  -9.698
  248    H2*    C  24           H2*        C  24  53.259   2.541  -9.596
  249   2HO*    C  24          2HO*        C  24  54.780   0.623  -9.535
  250    H1*    C  24           H1*        C  24  54.839   1.453  -7.615
  251   1H4     C  24          1H4         C  24  49.501   3.406  -4.761
  252   2H4     C  24          2H4         C  24  50.018   5.073  -4.876
  253    H5     C  24           H5         C  24  52.032   5.757  -5.996
  254    H6     C  24           H6         C  24  53.998   4.993  -7.246
  255   1H5*    A  25          1H5*        A  25  55.112   1.300 -11.910
  256   2H5*    A  25          2H5*        A  25  54.195   0.933 -13.384
  257    H4*    A  25           H4*        A  25  53.964  -0.614 -11.252
  258    H3*    A  25           H3*        A  25  51.808   0.358 -13.139
  259    H2*    A  25           H2*        A  25  50.136  -0.548 -11.815
  260   2HO*    A  25          2HO*        A  25  52.043  -2.510 -11.488
  261    H1*    A  25           H1*        A  25  51.531  -0.576  -9.330
  262    H8     A  25           H8         A  25  51.151   2.862 -10.593
  263   1H6     A  25          1H6         A  25  45.446   2.869  -8.219
  264   2H6     A  25          2H6         A  25  46.716   3.874  -8.884
  265    H2     A  25           H2         A  25  46.953  -1.356  -8.278
  266   1H5*    G  26          1H5*        G  26  52.666  -4.667 -13.201
  267   2H5*    G  26          2H5*        G  26  51.383  -5.291 -14.255
  268    H4*    G  26           H4*        G  26  51.733  -6.335 -11.869
  269    H3*    G  26           H3*        G  26  49.105  -5.596 -13.196
  270    H2*    G  26           H2*        G  26  47.952  -6.409 -11.257
  271   2HO*    G  26          2HO*        G  26  50.307  -7.192  -9.942
  272    H1*    G  26           H1*        G  26  49.480  -5.187  -9.428
  273    H8     G  26           H8         G  26  49.658  -2.657 -11.950
  274    H1     G  26           H1         G  26  43.698  -2.975  -9.800
  275   1H2     G  26          1H2         G  26  43.380  -4.840  -8.669
  276   2H2     G  26          2H2         G  26  44.643  -6.032  -8.435
  277   1H5*    C  27          1H5*        C  27  48.952  -9.169 -11.828
  278   2H5*    C  27          2H5*        C  27  48.403 -10.628 -12.677
  279    H4*    C  27           H4*        C  27  47.034 -10.470 -10.736
  280    H3*    C  27           H3*        C  27  45.669  -9.480 -13.262
  281    H2*    C  27           H2*        C  27  43.686  -9.060 -11.965
  282   2HO*    C  27          2HO*        C  27  43.326 -10.001 -10.061
  283    H1*    C  27           H1*        C  27  44.896  -7.757  -9.971
  284   1H4     C  27          1H4         C  27  43.908  -3.148 -14.222
  285   2H4     C  27          2H4         C  27  45.438  -3.525 -14.978
  286    H5     C  27           H5         C  27  46.784  -5.415 -14.354
  287    H6     C  27           H6         C  27  46.969  -7.352 -12.895
  288   1H5*    C  28          1H5*        C  28  43.274 -11.419 -11.611
  289   2H5*    C  28          2H5*        C  28  42.238 -12.712 -12.244
  290    H4*    C  28           H4*        C  28  40.711 -11.022 -11.633
  291    H3*    C  28           H3*        C  28  41.392 -10.808 -14.596
  292    H2*    C  28           H2*        C  28  39.750  -9.079 -14.729
  293   2HO*    C  28          2HO*        C  28  38.736  -8.799 -12.335
  294    H1*    C  28           H1*        C  28  40.453  -7.818 -12.397
  295   1H4     C  28          1H4         C  28  43.450  -4.748 -17.095
  296   2H4     C  28          2H4         C  28  44.768  -5.895 -17.006
  297    H5     C  28           H5         C  28  44.718  -7.856 -15.595
  298    H6     C  28           H6         C  28  43.403  -9.138 -14.008
  299   1H5*    C  29          1H5*        C  29  37.120 -11.165 -13.756
  300   2H5*    C  29          2H5*        C  29  36.508 -12.640 -14.532
  301    H4*    C  29           H4*        C  29  34.793 -10.984 -14.774
  302    H3*    C  29           H3*        C  29  36.420 -11.589 -17.248
  303    H2*    C  29           H2*        C  29  35.307  -9.915 -18.481
  304   2HO*    C  29          2HO*        C  29  33.436  -9.531 -16.374
  305    H1*    C  29           H1*        C  29  35.152  -7.986 -16.579
  306   1H4     C  29          1H4         C  29  40.419  -6.506 -19.773
  307   2H4     C  29          2H4         C  29  41.204  -7.989 -19.284
  308    H5     C  29           H5         C  29  40.125  -9.670 -17.954
  309    H6     C  29           H6         C  29  38.074 -10.290 -16.765
  310   1H5*    C  30          1H5*        C  30  32.343 -10.608 -18.432
  311   2H5*    C  30          2H5*        C  30  32.126 -11.293 -20.053
  312    H4*    C  30           H4*        C  30  32.240  -8.712 -19.821
  313    H3*    C  30           H3*        C  30  33.979 -10.286 -21.749
  314    H2*    C  30           H2*        C  30  34.659  -8.224 -22.642
  315   2HO*    C  30          2HO*        C  30  33.105  -6.462 -21.296
  316    H1*    C  30           H1*        C  30  34.645  -6.849 -20.190
  317   1H4     C  30          1H4         C  30  40.732  -7.846 -21.730
  318   2H4     C  30          2H4         C  30  40.553  -9.564 -21.453
  319    H5     C  30           H5         C  30  38.453 -10.592 -20.873
  320    H6     C  30           H6         C  30  36.084 -10.211 -20.446
  321    H3T    C  30           H3T        C  30  31.561  -8.783 -22.068
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1  41.407   3.772 -23.070
    2   2H5*    G   1          2H5*        G   1  40.984   5.112 -21.985
    3    H4*    G   1           H4*        G   1  38.909   4.469 -22.879
    4    H3*    G   1           H3*        G   1  39.462   3.373 -20.139
    5    H2*    G   1           H2*        G   1  37.609   1.880 -20.178
    6   2HO*    G   1          2HO*        G   1  36.353   3.766 -21.284
    7    H1*    G   1           H1*        G   1  37.747   1.008 -22.734
    8    H8     G   1           H8         G   1  41.229   1.604 -21.310
    9    H1     G   1           H1         G   1  38.809  -4.099 -19.788
   10   1H2     G   1          1H2         G   1  36.667  -4.195 -20.373
   11   2H2     G   1          2H2         G   1  35.840  -2.858 -21.139
   12    H5T    G   1           H5T        G   1  42.325   3.760 -20.874
   13   1H5*    G   2          1H5*        G   2  36.256   3.796 -19.300
   14   2H5*    G   2          2H5*        G   2  35.661   5.014 -18.152
   15    H4*    G   2           H4*        G   2  35.152   3.150 -16.919
   16    H3*    G   2           H3*        G   2  38.061   3.782 -16.389
   17    H2*    G   2           H2*        G   2  38.386   1.759 -15.327
   18   2HO*    G   2          2HO*        G   2  36.962   0.991 -13.871
   19    H1*    G   2           H1*        G   2  36.086   0.370 -16.388
   20    H8     G   2           H8         G   2  39.042   1.375 -18.517
   21    H1     G   2           H1         G   2  39.852  -4.223 -15.576
   22   1H2     G   2          1H2         G   2  38.136  -4.608 -14.218
   23   2H2     G   2          2H2         G   2  36.808  -3.484 -14.043
   24   1H5*    G   3          1H5*        G   3  35.277   3.675 -12.540
   25   2H5*    G   3          2H5*        G   3  36.182   4.297 -11.146
   26    H4*    G   3           H4*        G   3  35.138   1.958 -10.913
   27    H3*    G   3           H3*        G   3  38.047   2.628 -10.354
   28    H2*    G   3           H2*        G   3  38.456   0.394  -9.799
   29   2HO*    G   3          2HO*        G   3  36.489  -1.044  -9.541
   30    H1*    G   3           H1*        G   3  36.748  -0.820 -11.595
   31    H8     G   3           H8         G   3  38.879   1.819 -13.193
   32    H1     G   3           H1         G   3  42.006  -3.665 -12.288
   33   1H2     G   3          1H2         G   3  40.808  -5.019 -11.001
   34   2H2     G   3          2H2         G   3  39.240  -4.566 -10.369
   35   1H5*    C   4          1H5*        C   4  36.088   0.318  -7.844
   36   2H5*    C   4          2H5*        C   4  35.832   0.791  -6.153
   37    H4*    C   4           H4*        C   4  36.222  -1.529  -6.027
   38    H3*    C   4           H3*        C   4  38.727   0.084  -5.467
   39    H2*    C   4           H2*        C   4  39.961  -1.931  -5.176
   40   2HO*    C   4          2HO*        C   4  37.897  -2.882  -4.098
   41    H1*    C   4           H1*        C   4  38.983  -3.279  -7.307
   42   1H4     C   4          1H4         C   4  44.059  -0.183  -9.593
   43   2H4     C   4          2H4         C   4  43.135   1.291  -9.666
   44    H5     C   4           H5         C   4  40.918   1.493  -8.851
   45    H6     C   4           H6         C   4  39.046   0.354  -7.780
   46   1H5*    U   5          1H5*        U   5  38.465  -2.836  -2.341
   47   2H5*    U   5          2H5*        U   5  39.528  -2.376  -0.997
   48    H4*    U   5           H4*        U   5  40.280  -4.362  -2.450
   49    H3*    U   5           H3*        U   5  42.033  -1.929  -1.906
   50    H2*    U   5           H2*        U   5  43.796  -3.115  -3.003
   51   2HO*    U   5          2HO*        U   5  43.626  -5.315  -3.498
   52    H1*    U   5           H1*        U   5  42.278  -4.042  -5.078
   53    H3     U   5           H3         U   5  44.992  -0.918  -6.905
   54    H5     U   5           H5         U   5  42.074   1.321  -4.888
   55    H6     U   5           H6         U   5  41.228  -0.736  -3.936
   56   1H5*    G   6          1H5*        G   6  43.566  -5.295  -1.358
   57   2H5*    G   6          2H5*        G   6  44.771  -5.809  -0.160
   58    H4*    G   6           H4*        G   6  45.601  -6.109  -2.472
   59    H3*    G   6           H3*        G   6  46.956  -4.025  -0.714
   60    H2*    G   6           H2*        G   6  48.534  -3.702  -2.454
   61   2HO*    G   6          2HO*        G   6  47.507  -6.139  -3.542
   62    H1*    G   6           H1*        G   6  46.756  -3.913  -4.562
   63    H8     G   6           H8         G   6  45.066  -1.658  -2.190
   64    H1     G   6           H1         G   6  50.180   1.177  -4.696
   65   1H2     G   6          1H2         G   6  51.411  -0.308  -5.795
   66   2H2     G   6          2H2         G   6  50.990  -2.003  -5.881
   67   1H5*    U   7          1H5*        U   7  49.562  -5.934  -2.004
   68   2H5*    U   7          2H5*        U   7  50.621  -7.110  -1.200
   69    H4*    U   7           H4*        U   7  52.307  -5.884  -2.103
   70    H3*    U   7           H3*        U   7  51.388  -4.167   0.234
   71    H2*    U   7           H2*        U   7  52.931  -2.513  -0.441
   72   2HO*    U   7          2HO*        U   7  54.322  -4.644  -1.304
   73    H1*    U   7           H1*        U   7  52.546  -2.722  -3.139
   74    H3     U   7           H3         U   7  50.759   1.318  -2.290
   75    H5     U   7           H5         U   7  48.292  -1.284  -0.147
   76    H6     U   7           H6         U   7  49.742  -3.117  -0.776
   77   1H5*    U   8          1H5*        U   8  56.195  -4.811   0.534
   78   2H5*    U   8          2H5*        U   8  56.363  -4.750   2.299
   79    H4*    U   8           H4*        U   8  57.945  -3.223   1.087
   80    H3*    U   8           H3*        U   8  55.873  -2.068   3.001
   81    H2*    U   8           H2*        U   8  56.902   0.071   2.662
   82   2HO*    U   8          2HO*        U   8  58.908   0.298   1.878
   83    H1*    U   8           H1*        U   8  57.002  -0.089  -0.034
   84    H3     U   8           H3         U   8  53.523   2.644   1.044
   85    H5     U   8           H5         U   8  51.996  -1.258   1.474
   86    H6     U   8           H6         U   8  54.251  -2.101   1.152
   87   1H5*    U   9          1H5*        U   9  59.479   0.062   3.605
   88   2H5*    U   9          2H5*        U   9  59.499   0.590   5.297
   89    H4*    U   9           H4*        U   9  59.353   2.404   3.444
   90    H3*    U   9           H3*        U   9  57.441   2.281   5.818
   91    H2*    U   9           H2*        U   9  56.653   4.408   5.096
   92   2HO*    U   9          2HO*        U   9  58.200   5.712   4.444
   93    H1*    U   9           H1*        U   9  56.704   3.809   2.386
   94    H3     U   9           H3         U   9  52.427   4.587   3.946
   95    H5     U   9           H5         U   9  53.225   0.509   4.674
   96    H6     U   9           H6         U   9  55.526   0.914   4.073
   97   1H5*    U  10          1H5*        U  10  60.394   5.733   7.309
   98   2H5*    U  10          2H5*        U  10  59.925   5.826   9.020
   99    H4*    U  10           H4*        U  10  59.425   7.845   7.383
  100    H3*    U  10           H3*        U  10  57.558   6.680   9.488
  101    H2*    U  10           H2*        U  10  55.993   8.373   8.918
  102   2HO*    U  10          2HO*        U  10  56.797  10.043   7.307
  103    H1*    U  10           H1*        U  10  56.410   8.312   6.188
  104    H3     U  10           H3         U  10  52.174   6.994   7.447
  105    H5     U  10           H5         U  10  54.542   3.507   7.470
  106    H6     U  10           H6         U  10  56.498   4.914   7.193
  107   1H5*    U  11          1H5*        U  11  57.247  11.056  10.188
  108   2H5*    U  11          2H5*        U  11  57.432  11.152  11.951
  109    H4*    U  11           H4*        U  11  55.320  12.212  11.098
  110    H3*    U  11           H3*        U  11  55.228   9.865  13.026
  111    H2*    U  11           H2*        U  11  52.866  10.055  13.071
  112   2HO*    U  11          2HO*        U  11  51.893  11.979  11.994
  113    H1*    U  11           H1*        U  11  52.488  10.653  10.415
  114    H3     U  11           H3         U  11  50.550   6.603  11.150
  115    H5     U  11           H5         U  11  54.676   5.788  10.906
  116    H6     U  11           H6         U  11  55.077   8.173  10.831
  117   1H5*    C  12          1H5*        C  12  53.144  13.136  15.339
  118   2H5*    C  12          2H5*        C  12  53.410  12.721  17.044
  119    H4*    C  12           H4*        C  12  50.985  12.697  16.312
  120    H3*    C  12           H3*        C  12  52.322  10.190  17.420
  121    H2*    C  12           H2*        C  12  50.202   9.148  17.369
  122   2HO*    C  12          2HO*        C  12  49.319  11.784  17.566
  123    H1*    C  12           H1*        C  12  49.324  10.324  14.993
  124   1H4     C  12          1H4         C  12  51.010   4.286  13.915
  125   2H4     C  12          2H4         C  12  52.696   4.727  13.918
  126    H5     C  12           H5         C  12  53.469   6.953  14.397
  127    H6     C  12           H6         C  12  52.794   9.211  14.987
  128   1H5*    U  13          1H5*        U  13  50.701   8.123  20.870
  129   2H5*    U  13          2H5*        U  13  51.214   8.181  19.172
  130    H4*    U  13           H4*        U  13  48.289   8.177  19.415
  131    H3*    U  13           H3*        U  13  49.897   6.018  20.828
  132    H2*    U  13           H2*        U  13  48.515   4.376  19.891
  133   2HO*    U  13          2HO*        U  13  46.544   6.402  19.467
  134    H1*    U  13           H1*        U  13  47.731   5.835  17.565
  135    H3     U  13           H3         U  13  49.002   1.417  16.836
  136    H5     U  13           H5         U  13  52.471   3.796  16.486
  137    H6     U  13           H6         U  13  51.219   5.647  17.393
  138   1H5*    C  14          1H5*        C  14  46.260   5.115  21.146
  139   2H5*    C  14          2H5*        C  14  45.538   4.906  22.753
  140    H4*    C  14           H4*        C  14  44.976   2.951  21.517
  141    H3*    C  14           H3*        C  14  47.194   2.606  23.543
  142    H2*    C  14           H2*        C  14  47.597   0.392  22.862
  143   2HO*    C  14          2HO*        C  14  44.934   0.564  21.934
  144    H1*    C  14           H1*        C  14  47.166   0.665  20.158
  145   1H4     C  14          1H4         C  14  53.473   0.975  20.832
  146   2H4     C  14          2H4         C  14  53.348   2.593  21.484
  147    H5     C  14           H5         C  14  51.243   3.682  21.918
  148    H6     C  14           H6         C  14  48.801   3.443  21.823
  149   1H5*    G  15          1H5*        G  15  46.633   0.005  27.402
  150   2H5*    G  15          2H5*        G  15  47.454   1.067  26.240
  151    H4*    G  15           H4*        G  15  46.636  -1.663  25.306
  152    H3*    G  15           H3*        G  15  47.970  -1.701  27.671
  153    H2*    G  15           H2*        G  15  49.623  -0.062  27.002
  154   2HO*    G  15          2HO*        G  15  51.372  -1.241  27.325
  155    H1*    G  15           H1*        G  15  50.051  -1.639  24.460
  156    H8     G  15           H8         G  15  51.887  -0.339  23.255
  157    H1     G  15           H1         G  15  50.285   5.241  25.880
  158   1H2     G  15          1H2         G  15  48.531   4.975  27.209
  159   2H2     G  15          2H2         G  15  47.758   3.424  27.441
  160   1H5*    C  16          1H5*        C  16  45.795  -4.304  22.814
  161   2H5*    C  16          2H5*        C  16  47.196  -5.182  23.458
  162    H4*    C  16           H4*        C  16  47.155  -2.749  21.656
  163    H3*    C  16           H3*        C  16  47.792  -5.596  21.371
  164    H2*    C  16           H2*        C  16  50.095  -5.363  21.510
  165   2HO*    C  16          2HO*        C  16  50.106  -5.279  19.301
  166    H1*    C  16           H1*        C  16  50.027  -2.386  21.128
  167   1H4     C  16          1H4         C  16  55.564  -3.158  24.168
  168   2H4     C  16          2H4         C  16  54.859  -4.332  25.256
  169    H5     C  16           H5         C  16  52.557  -5.061  25.106
  170    H6     C  16           H6         C  16  50.453  -4.802  23.888
  171   1H5*    U  17          1H5*        U  17  46.877  -4.526  16.230
  172   2H5*    U  17          2H5*        U  17  48.351  -5.249  15.558
  173    H4*    U  17           H4*        U  17  47.732  -2.421  16.181
  174    H3*    U  17           H3*        U  17  49.236  -3.966  14.149
  175    H2*    U  17           H2*        U  17  51.299  -3.057  14.653
  176   2HO*    U  17          2HO*        U  17  50.823  -0.430  14.709
  177    H1*    U  17           H1*        U  17  50.218  -0.977  16.497
  178    H3     U  17           H3         U  17  54.873  -0.997  16.579
  179    H5     U  17           H5         U  17  53.562  -4.135  19.060
  180    H6     U  17           H6         U  17  51.313  -3.811  18.166
  181   1H5*    G  18          1H5*        G  18  44.970  -3.044  13.322
  182   2H5*    G  18          2H5*        G  18  44.517  -2.243  11.803
  183    H4*    G  18           H4*        G  18  43.046  -1.573  13.690
  184    H3*    G  18           H3*        G  18  44.672   0.364  12.104
  185    H2*    G  18           H2*        G  18  44.529   2.143  13.629
  186   2HO*    G  18          2HO*        G  18  42.502   0.877  15.154
  187    H1*    G  18           H1*        G  18  44.621   0.841  16.012
  188    H8     G  18           H8         G  18  47.138  -1.154  14.558
  189    H1     G  18           H1         G  18  49.187   4.860  14.469
  190   1H2     G  18          1H2         G  18  47.490   6.254  14.828
  191   2H2     G  18          2H2         G  18  45.853   5.696  15.092
  192   1H5*    A  19          1H5*        A  19  41.470   2.569  12.493
  193   2H5*    A  19          2H5*        A  19  40.345   2.652  11.122
  194    H4*    A  19           H4*        A  19  40.627   4.909  11.523
  195    H3*    A  19           H3*        A  19  42.826   4.029   9.626
  196    H2*    A  19           H2*        A  19  43.673   6.270   9.624
  197   2HO*    A  19          2HO*        A  19  41.178   6.832  10.853
  198    H1*    A  19           H1*        A  19  43.722   6.552  12.283
  199    H8     A  19           H8         A  19  44.107   2.885  11.397
  200   1H6     A  19          1H6         A  19  50.155   3.908  10.895
  201   2H6     A  19          2H6         A  19  48.907   2.682  10.929
  202    H2     A  19           H2         A  19  48.100   7.869  11.358
  203   1H5*    C  20          1H5*        C  20  41.676   7.491   8.389
  204   2H5*    C  20          2H5*        C  20  41.895   7.857   6.667
  205    H4*    C  20           H4*        C  20  43.470   9.064   8.268
  206    H3*    C  20           H3*        C  20  44.540   7.284   6.037
  207    H2*    C  20           H2*        C  20  46.693   8.114   6.595
  208   2HO*    C  20          2HO*        C  20  45.835  10.357   6.736
  209    H1*    C  20           H1*        C  20  46.222   8.243   9.356
  210   1H4     C  20          1H4         C  20  50.125   3.394   8.000
  211   2H4     C  20          2H4         C  20  48.750   2.312   8.091
  212    H5     C  20           H5         C  20  46.467   3.101   8.319
  213    H6     C  20           H6         C  20  45.031   5.085   8.488
  214   1H5*    U  21          1H5*        U  21  46.012  10.966   4.489
  215   2H5*    U  21          2H5*        U  21  46.173  10.782   2.730
  216    H4*    U  21           H4*        U  21  48.339  10.765   4.180
  217    H3*    U  21           H3*        U  21  47.589   8.840   1.971
  218    H2*    U  21           H2*        U  21  49.296   7.395   2.515
  219   2HO*    U  21          2HO*        U  21  50.708   9.441   2.122
  220    H1*    U  21           H1*        U  21  49.906   8.459   5.150
  221    H3     U  21           H3         U  21  50.584   3.940   5.130
  222    H5     U  21           H5         U  21  46.410   4.466   5.308
  223    H6     U  21           H6         U  21  46.765   6.828   4.859
  224   1H5*    U  22          1H5*        U  22  51.881  10.934   0.831
  225   2H5*    U  22          2H5*        U  22  51.916  10.644  -0.919
  226    H4*    U  22           H4*        U  22  53.945   9.832   0.438
  227    H3*    U  22           H3*        U  22  52.351   8.102  -1.487
  228    H2*    U  22           H2*        U  22  53.867   6.309  -1.060
  229   2HO*    U  22          2HO*        U  22  55.494   7.929   0.595
  230    H1*    U  22           H1*        U  22  53.987   6.596   1.637
  231    H3     U  22           H3         U  22  51.471   2.923   0.425
  232    H5     U  22           H5         U  22  48.792   6.148   0.763
  233    H6     U  22           H6         U  22  50.714   7.615   0.921
  234   1H5*    U  23          1H5*        U  23  56.813   7.805  -2.702
  235   2H5*    U  23          2H5*        U  23  56.713   8.276  -4.411
  236    H4*    U  23           H4*        U  23  58.101   6.302  -4.255
  237    H3*    U  23           H3*        U  23  55.348   5.988  -5.459
  238    H2*    U  23           H2*        U  23  55.627   3.650  -5.671
  239   2HO*    U  23          2HO*        U  23  58.201   3.348  -4.837
  240    H1*    U  23           H1*        U  23  56.887   3.135  -3.334
  241    H3     U  23           H3         U  23  52.810   1.357  -2.592
  242    H5     U  23           H5         U  23  52.119   5.517  -2.490
  243    H6     U  23           H6         U  23  54.421   5.853  -3.186
  244   1H5*    C  24          1H5*        C  24  57.799   4.080  -8.708
  245   2H5*    C  24          2H5*        C  24  56.903   4.503 -10.181
  246    H4*    C  24           H4*        C  24  56.998   2.029  -9.706
  247    H3*    C  24           H3*        C  24  54.355   3.523  -9.874
  248    H2*    C  24           H2*        C  24  53.215   1.466  -9.571
  249   2HO*    C  24          2HO*        C  24  55.733   0.301 -10.233
  250    H1*    C  24           H1*        C  24  54.900   0.394  -7.674
  251   1H4     C  24          1H4         C  24  49.954   2.940  -4.568
  252   2H4     C  24          2H4         C  24  50.611   4.544  -4.795
  253    H5     C  24           H5         C  24  52.597   4.991  -6.077
  254    H6     C  24           H6         C  24  54.391   3.990  -7.418
  255   1H5*    A  25          1H5*        A  25  54.775   0.011 -11.942
  256   2H5*    A  25          2H5*        A  25  53.758  -0.371 -13.345
  257    H4*    A  25           H4*        A  25  53.589  -1.852 -11.180
  258    H3*    A  25           H3*        A  25  51.354  -0.785 -12.910
  259    H2*    A  25           H2*        A  25  49.727  -1.535 -11.440
  260   2HO*    A  25          2HO*        A  25  51.669  -3.499 -10.782
  261    H1*    A  25           H1*        A  25  51.253  -1.548  -9.052
  262    H8     A  25           H8         A  25  51.144   1.849 -10.469
  263   1H6     A  25          1H6         A  25  45.594   2.527  -7.856
  264   2H6     A  25          2H6         A  25  46.921   3.368  -8.627
  265    H2     A  25           H2         A  25  46.684  -1.826  -7.768
  266   1H5*    G  26          1H5*        G  26  51.843  -5.852 -12.732
  267   2H5*    G  26          2H5*        G  26  50.550  -6.390 -13.821
  268    H4*    G  26           H4*        G  26  50.735  -7.514 -11.488
  269    H3*    G  26           H3*        G  26  48.206  -6.422 -12.759
  270    H2*    G  26           H2*        G  26  46.964  -7.098 -10.837
  271   2HO*    G  26          2HO*        G  26  49.073  -8.247  -9.448
  272    H1*    G  26           H1*        G  26  48.691  -6.214  -8.961
  273    H8     G  26           H8         G  26  49.107  -3.616 -11.414
  274    H1     G  26           H1         G  26  43.275  -3.224  -8.947
  275   1H2     G  26          1H2         G  26  42.781  -5.075  -7.838
  276   2H2     G  26          2H2         G  26  43.893  -6.420  -7.703
  277   1H5*    C  27          1H5*        C  27  47.591  -9.909 -11.471
  278   2H5*    C  27          2H5*        C  27  47.069 -11.352 -12.364
  279    H4*    C  27           H4*        C  27  45.529 -11.242 -10.597
  280    H3*    C  27           H3*        C  27  44.426  -9.908 -13.092
  281    H2*    C  27           H2*        C  27  42.407  -9.416 -11.889
  282   2HO*    C  27          2HO*        C  27  41.773 -10.711 -10.341
  283    H1*    C  27           H1*        C  27  43.576  -8.440  -9.691
  284   1H4     C  27          1H4         C  27  43.211  -3.381 -13.520
  285   2H4     C  27          2H4         C  27  44.730  -3.830 -14.260
  286    H5     C  27           H5         C  27  45.879  -5.878 -13.763
  287    H6     C  27           H6         C  27  45.847  -7.938 -12.465
  288   1H5*    C  28          1H5*        C  28  41.683 -11.776 -11.789
  289   2H5*    C  28          2H5*        C  28  40.635 -12.889 -12.689
  290    H4*    C  28           H4*        C  28  39.191 -11.155 -11.959
  291    H3*    C  28           H3*        C  28  40.091 -10.698 -14.836
  292    H2*    C  28           H2*        C  28  38.581  -8.848 -14.890
  293   2HO*    C  28          2HO*        C  28  37.394  -8.672 -12.607
  294    H1*    C  28           H1*        C  28  39.217  -7.882 -12.394
  295   1H4     C  28          1H4         C  28  42.721  -4.618 -16.585
  296   2H4     C  28          2H4         C  28  43.946  -5.865 -16.533
  297    H5     C  28           H5         C  28  43.672  -7.937 -15.316
  298    H6     C  28           H6         C  28  42.169  -9.254 -13.936
  299   1H5*    C  29          1H5*        C  29  35.845 -10.698 -15.531
  300   2H5*    C  29          2H5*        C  29  35.549 -12.227 -16.384
  301    H4*    C  29           H4*        C  29  34.428 -10.725 -17.762
  302    H3*    C  29           H3*        C  29  37.297 -11.000 -18.721
  303    H2*    C  29           H2*        C  29  36.859  -9.427 -20.426
  304   2HO*    C  29          2HO*        C  29  34.548  -8.747 -20.717
  305    H1*    C  29           H1*        C  29  35.224  -7.738 -18.998
  306   1H4     C  29          1H4         C  29  40.844  -4.820 -18.861
  307   2H4     C  29          2H4         C  29  41.601  -6.188 -18.081
  308    H5     C  29           H5         C  29  40.438  -8.216 -17.571
  309    H6     C  29           H6         C  29  38.289  -9.386 -17.659
  310   1H5*    C  30          1H5*        C  30  34.403 -10.724 -22.048
  311   2H5*    C  30          2H5*        C  30  35.236 -11.255 -23.522
  312    H4*    C  30           H4*        C  30  34.595  -8.746 -23.306
  313    H3*    C  30           H3*        C  30  37.396  -9.698 -23.992
  314    H2*    C  30           H2*        C  30  37.938  -7.454 -24.414
  315   2HO*    C  30          2HO*        C  30  35.529  -7.310 -25.391
  316    H1*    C  30           H1*        C  30  36.334  -6.398 -22.361
  317   1H4     C  30          1H4         C  30  42.352  -5.950 -20.373
  318   2H4     C  30          2H4         C  30  42.482  -7.691 -20.261
  319    H5     C  30           H5         C  30  40.712  -9.188 -20.918
  320    H6     C  30           H6         C  30  38.453  -9.350 -21.827
  321    H3T    C  30           H3T        C  30  36.186 -10.237 -25.679
  Start of MODEL   13
    1   1H5*    G   1          1H5*        G   1  40.258   5.133 -22.271
    2   2H5*    G   1          2H5*        G   1  40.243   6.422 -21.050
    3    H4*    G   1           H4*        G   1  38.011   5.721 -21.066
    4    H3*    G   1           H3*        G   1  39.629   4.474 -18.864
    5    H2*    G   1           H2*        G   1  37.925   2.906 -18.284
    6   2HO*    G   1          2HO*        G   1  36.137   4.348 -19.992
    7    H1*    G   1           H1*        G   1  37.117   2.173 -20.746
    8    H8     G   1           H8         G   1  40.843   3.043 -20.353
    9    H1     G   1           H1         G   1  39.467  -3.123 -19.498
   10   1H2     G   1          1H2         G   1  37.267  -3.421 -19.573
   11   2H2     G   1          2H2         G   1  36.149  -2.099 -19.827
   12    H5T    G   1           H5T        G   1  41.898   5.219 -20.423
   13   1H5*    G   2          1H5*        G   2  36.445   4.783 -17.426
   14   2H5*    G   2          2H5*        G   2  35.958   5.553 -15.902
   15    H4*    G   2           H4*        G   2  35.475   3.317 -15.463
   16    H3*    G   2           H3*        G   2  38.285   3.958 -14.541
   17    H2*    G   2           H2*        G   2  38.727   1.724 -14.133
   18   2HO*    G   2          2HO*        G   2  36.637   1.871 -12.733
   19    H1*    G   2           H1*        G   2  36.650   0.577 -15.756
   20    H8     G   2           H8         G   2  39.683   2.496 -17.039
   21    H1     G   2           H1         G   2  40.723  -3.748 -16.296
   22   1H2     G   2          1H2         G   2  38.933  -4.699 -15.394
   23   2H2     G   2          2H2         G   2  37.494  -3.797 -14.983
   24   1H5*    G   3          1H5*        G   3  35.149   2.624 -11.276
   25   2H5*    G   3          2H5*        G   3  35.764   2.783  -9.619
   26    H4*    G   3           H4*        G   3  34.839   0.487 -10.286
   27    H3*    G   3           H3*        G   3  37.580   0.957  -9.072
   28    H2*    G   3           H2*        G   3  38.060  -1.331  -9.213
   29   2HO*    G   3          2HO*        G   3  35.436  -2.102  -9.863
   30    H1*    G   3           H1*        G   3  36.696  -1.920 -11.550
   31    H8     G   3           H8         G   3  38.805   1.098 -12.059
   32    H1     G   3           H1         G   3  42.181  -4.303 -12.287
   33   1H2     G   3          1H2         G   3  40.964  -5.994 -11.531
   34   2H2     G   3          2H2         G   3  39.320  -5.788 -10.969
   35   1H5*    C   4          1H5*        C   4  35.833  -2.307  -7.781
   36   2H5*    C   4          2H5*        C   4  35.256  -2.263  -6.103
   37    H4*    C   4           H4*        C   4  36.058  -4.436  -6.216
   38    H3*    C   4           H3*        C   4  38.319  -2.619  -5.322
   39    H2*    C   4           H2*        C   4  39.785  -4.494  -5.267
   40   2HO*    C   4          2HO*        C   4  38.904  -6.651  -5.602
   41    H1*    C   4           H1*        C   4  39.021  -5.608  -7.624
   42   1H4     C   4          1H4         C   4  43.816  -1.695  -9.126
   43   2H4     C   4          2H4         C   4  42.801  -0.306  -8.864
   44    H5     C   4           H5         C   4  40.565  -0.440  -8.072
   45    H6     C   4           H6         C   4  38.760  -1.931  -7.355
   46   1H5*    U   5          1H5*        U   5  38.633  -5.976  -2.327
   47   2H5*    U   5          2H5*        U   5  39.695  -5.243  -1.108
   48    H4*    U   5           H4*        U   5  40.622  -7.142  -2.676
   49    H3*    U   5           H3*        U   5  42.025  -4.524  -1.996
   50    H2*    U   5           H2*        U   5  43.925  -5.393  -3.163
   51   2HO*    U   5          2HO*        U   5  44.216  -7.509  -3.533
   52    H1*    U   5           H1*        U   5  42.528  -6.355  -5.297
   53    H3     U   5           H3         U   5  44.770  -2.724  -6.818
   54    H5     U   5           H5         U   5  41.577  -1.109  -4.632
   55    H6     U   5           H6         U   5  41.018  -3.348  -3.893
   56   1H5*    G   6          1H5*        G   6  44.399  -7.823  -1.093
   57   2H5*    G   6          2H5*        G   6  45.735  -7.555   0.044
   58    H4*    G   6           H4*        G   6  46.340  -8.074  -2.416
   59    H3*    G   6           H3*        G   6  47.415  -5.719  -0.818
   60    H2*    G   6           H2*        G   6  48.810  -5.192  -2.671
   61   2HO*    G   6          2HO*        G   6  48.058  -7.452  -4.163
   62    H1*    G   6           H1*        G   6  46.949  -5.676  -4.635
   63    H8     G   6           H8         G   6  44.966  -3.848  -2.166
   64    H1     G   6           H1         G   6  49.439  -0.052  -4.629
   65   1H2     G   6          1H2         G   6  50.906  -1.253  -5.791
   66   2H2     G   6          2H2         G   6  50.796  -2.994  -5.922
   67   1H5*    U   7          1H5*        U   7  50.240  -7.151  -2.202
   68   2H5*    U   7          2H5*        U   7  51.518  -8.120  -1.440
   69    H4*    U   7           H4*        U   7  52.925  -6.644  -2.447
   70    H3*    U   7           H3*        U   7  51.873  -5.112  -0.042
   71    H2*    U   7           H2*        U   7  53.081  -3.208  -0.784
   72   2HO*    U   7          2HO*        U   7  54.651  -3.345  -2.427
   73    H1*    U   7           H1*        U   7  52.471  -3.399  -3.417
   74    H3     U   7           H3         U   7  49.952   0.113  -2.199
   75    H5     U   7           H5         U   7  48.169  -3.096  -0.182
   76    H6     U   7           H6         U   7  49.956  -4.527  -0.970
   77   1H5*    U   8          1H5*        U   8  56.498  -4.614   0.182
   78   2H5*    U   8          2H5*        U   8  56.758  -4.596   1.937
   79    H4*    U   8           H4*        U   8  57.648  -2.560   0.740
   80    H3*    U   8           H3*        U   8  55.498  -2.308   2.880
   81    H2*    U   8           H2*        U   8  55.621   0.029   2.651
   82   2HO*    U   8          2HO*        U   8  58.199  -0.531   1.624
   83    H1*    U   8           H1*        U   8  56.147   0.094  -0.099
   84    H3     U   8           H3         U   8  52.333   2.460   0.537
   85    H5     U   8           H5         U   8  51.177  -1.567   1.009
   86    H6     U   8           H6         U   8  53.523  -2.174   0.935
   87   1H5*    U   9          1H5*        U   9  59.204   0.190   3.393
   88   2H5*    U   9          2H5*        U   9  59.390   0.714   5.078
   89    H4*    U   9           H4*        U   9  59.236   2.539   3.229
   90    H3*    U   9           H3*        U   9  57.559   2.518   5.774
   91    H2*    U   9           H2*        U   9  56.743   4.654   5.128
   92   2HO*    U   9          2HO*        U   9  57.753   5.732   3.264
   93    H1*    U   9           H1*        U   9  56.520   4.094   2.423
   94    H3     U   9           H3         U   9  52.347   4.866   4.129
   95    H5     U   9           H5         U   9  53.245   0.871   5.145
   96    H6     U   9           H6         U   9  55.512   1.253   4.388
   97   1H5*    U  10          1H5*        U  10  60.467   5.952   6.602
   98   2H5*    U  10          2H5*        U  10  60.485   6.143   8.366
   99    H4*    U  10           H4*        U  10  59.475   8.080   7.020
  100    H3*    U  10           H3*        U  10  57.928   6.648   9.224
  101    H2*    U  10           H2*        U  10  56.239   8.284   8.948
  102   2HO*    U  10          2HO*        U  10  57.779   9.860   7.187
  103    H1*    U  10           H1*        U  10  56.498   8.528   6.170
  104    H3     U  10           H3         U  10  52.250   7.220   7.169
  105    H5     U  10           H5         U  10  54.565   3.712   7.495
  106    H6     U  10           H6         U  10  56.552   5.084   7.241
  107   1H5*    U  11          1H5*        U  11  57.806  11.103  10.127
  108   2H5*    U  11          2H5*        U  11  57.954  11.123  11.896
  109    H4*    U  11           H4*        U  11  55.913  12.318  10.965
  110    H3*    U  11           H3*        U  11  55.685  10.024  12.955
  111    H2*    U  11           H2*        U  11  53.347  10.369  12.983
  112   2HO*    U  11          2HO*        U  11  52.493  12.343  11.916
  113    H1*    U  11           H1*        U  11  53.033  11.010  10.319
  114    H3     U  11           H3         U  11  50.603   7.245  10.991
  115    H5     U  11           H5         U  11  54.604   5.928  10.993
  116    H6     U  11           H6         U  11  55.303   8.236  10.901
  117   1H5*    C  12          1H5*        C  12  53.609  13.552  15.178
  118   2H5*    C  12          2H5*        C  12  53.708  12.986  16.858
  119    H4*    C  12           H4*        C  12  51.352  13.274  15.808
  120    H3*    C  12           H3*        C  12  52.336  10.798  17.275
  121    H2*    C  12           H2*        C  12  50.217   9.815  16.990
  122   2HO*    C  12          2HO*        C  12  48.418  10.971  16.944
  123    H1*    C  12           H1*        C  12  49.694  10.783  14.442
  124   1H4     C  12          1H4         C  12  51.558   4.719  13.995
  125   2H4     C  12          2H4         C  12  53.225   5.203  14.145
  126    H5     C  12           H5         C  12  53.900   7.471  14.556
  127    H6     C  12           H6         C  12  53.126   9.734  14.944
  128   1H5*    U  13          1H5*        U  13  50.506   9.161  20.719
  129   2H5*    U  13          2H5*        U  13  51.136   8.864  19.086
  130    H4*    U  13           H4*        U  13  48.164   8.769  19.335
  131    H3*    U  13           H3*        U  13  50.000   6.833  20.804
  132    H2*    U  13           H2*        U  13  48.629   5.060  20.104
  133   2HO*    U  13          2HO*        U  13  46.652   7.069  20.093
  134    H1*    U  13           H1*        U  13  47.712   6.252  17.689
  135    H3     U  13           H3         U  13  49.253   1.885  17.307
  136    H5     U  13           H5         U  13  52.577   4.426  16.736
  137    H6     U  13           H6         U  13  51.217   6.271  17.479
  138   1H5*    C  14          1H5*        C  14  46.350   5.636  21.292
  139   2H5*    C  14          2H5*        C  14  45.810   5.523  22.978
  140    H4*    C  14           H4*        C  14  45.264   3.459  21.850
  141    H3*    C  14           H3*        C  14  47.448   3.430  23.928
  142    H2*    C  14           H2*        C  14  48.039   1.206  23.468
  143   2HO*    C  14          2HO*        C  14  46.597  -0.172  22.248
  144    H1*    C  14           H1*        C  14  47.667   1.169  20.749
  145   1H4     C  14          1H4         C  14  53.898   2.164  21.505
  146   2H4     C  14          2H4         C  14  53.597   3.834  21.932
  147    H5     C  14           H5         C  14  51.385   4.755  22.182
  148    H6     C  14           H6         C  14  48.985   4.268  22.086
  149   1H5*    G  15          1H5*        G  15  46.835   0.962  28.003
  150   2H5*    G  15          2H5*        G  15  47.684   2.057  26.893
  151    H4*    G  15           H4*        G  15  47.176  -0.792  26.059
  152    H3*    G  15           H3*        G  15  48.427  -0.491  28.458
  153    H2*    G  15           H2*        G  15  49.942   1.235  27.684
  154   2HO*    G  15          2HO*        G  15  51.457  -1.101  27.085
  155    H1*    G  15           H1*        G  15  50.557  -0.513  25.294
  156    H8     G  15           H8         G  15  52.337   0.801  24.043
  157    H1     G  15           H1         G  15  50.176   6.478  25.948
  158   1H2     G  15          1H2         G  15  48.413   6.215  27.260
  159   2H2     G  15          2H2         G  15  47.771   4.639  27.662
  160   1H5*    C  16          1H5*        C  16  46.504  -3.557  23.846
  161   2H5*    C  16          2H5*        C  16  48.031  -4.221  24.459
  162    H4*    C  16           H4*        C  16  47.620  -1.821  22.650
  163    H3*    C  16           H3*        C  16  48.420  -4.582  22.255
  164    H2*    C  16           H2*        C  16  50.711  -4.242  22.504
  165   2HO*    C  16          2HO*        C  16  50.397  -4.168  20.173
  166    H1*    C  16           H1*        C  16  50.494  -1.287  21.970
  167   1H4     C  16          1H4         C  16  56.112  -1.604  24.953
  168   2H4     C  16          2H4         C  16  55.486  -2.767  26.101
  169    H5     C  16           H5         C  16  53.234  -3.631  26.014
  170    H6     C  16           H6         C  16  51.105  -3.550  24.817
  171   1H5*    U  17          1H5*        U  17  47.092  -3.554  17.217
  172   2H5*    U  17          2H5*        U  17  48.447  -4.413  16.463
  173    H4*    U  17           H4*        U  17  48.028  -1.526  16.854
  174    H3*    U  17           H3*        U  17  49.412  -3.333  14.963
  175    H2*    U  17           H2*        U  17  51.526  -2.492  15.341
  176   2HO*    U  17          2HO*        U  17  51.185   0.145  15.132
  177    H1*    U  17           H1*        U  17  50.607  -0.178  16.979
  178    H3     U  17           H3         U  17  55.256  -0.478  16.978
  179    H5     U  17           H5         U  17  53.819  -3.247  19.802
  180    H6     U  17           H6         U  17  51.574  -2.883  18.917
  181   1H5*    G  18          1H5*        G  18  45.367  -2.361  13.955
  182   2H5*    G  18          2H5*        G  18  44.921  -1.807  12.328
  183    H4*    G  18           H4*        G  18  43.398  -0.873  14.017
  184    H3*    G  18           H3*        G  18  45.089   0.833  12.274
  185    H2*    G  18           H2*        G  18  45.031   2.776  13.573
  186   2HO*    G  18          2HO*        G  18  43.171   2.496  15.398
  187    H1*    G  18           H1*        G  18  44.891   1.793  16.118
  188    H8     G  18           H8         G  18  47.411  -0.446  15.055
  189    H1     G  18           H1         G  18  49.705   5.450  14.515
  190   1H2     G  18          1H2         G  18  48.051   6.933  14.616
  191   2H2     G  18          2H2         G  18  46.379   6.463  14.823
  192   1H5*    A  19          1H5*        A  19  41.633   3.202  12.659
  193   2H5*    A  19          2H5*        A  19  40.668   3.116  11.171
  194    H4*    A  19           H4*        A  19  40.704   5.416  11.602
  195    H3*    A  19           H3*        A  19  42.895   4.604   9.684
  196    H2*    A  19           H2*        A  19  43.751   6.828   9.637
  197   2HO*    A  19          2HO*        A  19  41.248   7.428  10.805
  198    H1*    A  19           H1*        A  19  43.862   7.189  12.266
  199    H8     A  19           H8         A  19  44.087   3.478  11.541
  200   1H6     A  19          1H6         A  19  50.160   4.216  10.932
  201   2H6     A  19          2H6         A  19  48.860   3.051  11.040
  202    H2     A  19           H2         A  19  48.284   8.285  11.215
  203   1H5*    C  20          1H5*        C  20  41.722   8.006   8.507
  204   2H5*    C  20          2H5*        C  20  41.874   8.421   6.790
  205    H4*    C  20           H4*        C  20  43.524   9.573   8.351
  206    H3*    C  20           H3*        C  20  44.489   7.836   6.041
  207    H2*    C  20           H2*        C  20  46.672   8.622   6.534
  208   2HO*    C  20          2HO*        C  20  46.066  10.466   8.480
  209    H1*    C  20           H1*        C  20  46.309   8.706   9.317
  210   1H4     C  20          1H4         C  20  50.081   3.797   7.819
  211   2H4     C  20          2H4         C  20  48.686   2.745   7.950
  212    H5     C  20           H5         C  20  46.431   3.577   8.238
  213    H6     C  20           H6         C  20  45.039   5.588   8.446
  214   1H5*    U  21          1H5*        U  21  46.108  11.441   4.964
  215   2H5*    U  21          2H5*        U  21  46.266  11.604   3.203
  216    H4*    U  21           H4*        U  21  48.445  11.280   4.523
  217    H3*    U  21           H3*        U  21  47.548   9.734   2.105
  218    H2*    U  21           H2*        U  21  49.019   8.008   2.471
  219   2HO*    U  21          2HO*        U  21  50.724  10.191   2.883
  220    H1*    U  21           H1*        U  21  49.967   8.852   5.114
  221    H3     U  21           H3         U  21  50.454   4.325   5.101
  222    H5     U  21           H5         U  21  46.297   4.988   5.210
  223    H6     U  21           H6         U  21  46.732   7.337   4.784
  224   1H5*    U  22          1H5*        U  22  52.008  10.962   1.161
  225   2H5*    U  22          2H5*        U  22  52.054  10.813  -0.606
  226    H4*    U  22           H4*        U  22  53.597   9.259   0.792
  227    H3*    U  22           H3*        U  22  51.748   8.354  -1.442
  228    H2*    U  22           H2*        U  22  52.451   6.152  -1.102
  229   2HO*    U  22          2HO*        U  22  54.710   7.051   0.378
  230    H1*    U  22           H1*        U  22  53.043   6.345   1.657
  231    H3     U  22           H3         U  22  50.273   2.787   1.242
  232    H5     U  22           H5         U  22  47.799   6.127   0.554
  233    H6     U  22           H6         U  22  49.794   7.504   0.576
  234   1H5*    U  23          1H5*        U  23  55.536   7.141  -2.301
  235   2H5*    U  23          2H5*        U  23  56.349   7.869  -3.702
  236    H4*    U  23           H4*        U  23  56.817   5.719  -4.280
  237    H3*    U  23           H3*        U  23  53.913   6.090  -5.050
  238    H2*    U  23           H2*        U  23  53.695   3.816  -5.485
  239   2HO*    U  23          2HO*        U  23  55.833   2.565  -5.689
  240    H1*    U  23           H1*        U  23  55.605   2.829  -3.675
  241    H3     U  23           H3         U  23  52.035   0.554  -2.208
  242    H5     U  23           H5         U  23  50.756   4.568  -1.971
  243    H6     U  23           H6         U  23  52.870   5.230  -2.974
  244   1H5*    C  24          1H5*        C  24  56.362   4.326  -8.607
  245   2H5*    C  24          2H5*        C  24  55.424   4.649 -10.078
  246    H4*    C  24           H4*        C  24  55.930   2.201  -9.649
  247    H3*    C  24           H3*        C  24  53.092   3.255  -9.923
  248    H2*    C  24           H2*        C  24  52.286   1.037  -9.715
  249   2HO*    C  24          2HO*        C  24  54.916  -0.027  -9.867
  250    H1*    C  24           H1*        C  24  54.098   0.167  -7.805
  251   1H4     C  24          1H4         C  24  48.710   1.546  -4.687
  252   2H4     C  24          2H4         C  24  49.010   3.256  -4.884
  253    H5     C  24           H5         C  24  50.855   4.139  -6.136
  254    H6     C  24           H6         C  24  52.832   3.584  -7.469
  255   1H5*    A  25          1H5*        A  25  54.126  -0.057 -12.111
  256   2H5*    A  25          2H5*        A  25  53.187  -0.542 -13.538
  257    H4*    A  25           H4*        A  25  53.180  -2.082 -11.416
  258    H3*    A  25           H3*        A  25  50.808  -1.245 -13.107
  259    H2*    A  25           H2*        A  25  49.332  -2.297 -11.649
  260   2HO*    A  25          2HO*        A  25  50.847  -3.903 -10.144
  261    H1*    A  25           H1*        A  25  50.948  -2.221  -9.297
  262    H8     A  25           H8         A  25  50.151   1.171 -10.557
  263   1H6     A  25          1H6         A  25  44.760   0.780  -7.586
  264   2H6     A  25          2H6         A  25  45.862   1.857  -8.414
  265    H2     A  25           H2         A  25  46.618  -3.305  -7.674
  266   1H5*    G  26          1H5*        G  26  51.818  -5.569 -12.055
  267   2H5*    G  26          2H5*        G  26  51.899  -6.435 -13.600
  268    H4*    G  26           H4*        G  26  51.133  -8.145 -12.263
  269    H3*    G  26           H3*        G  26  48.726  -6.623 -13.287
  270    H2*    G  26           H2*        G  26  47.275  -7.930 -11.929
  271   2HO*    G  26          2HO*        G  26  49.056  -9.614 -10.740
  272    H1*    G  26           H1*        G  26  48.702  -7.882  -9.662
  273    H8     G  26           H8         G  26  49.371  -4.629 -11.181
  274    H1     G  26           H1         G  26  43.458  -4.829  -8.883
  275   1H2     G  26          1H2         G  26  42.910  -6.923  -8.377
  276   2H2     G  26          2H2         G  26  44.009  -8.266  -8.606
  277   1H5*    C  27          1H5*        C  27  47.937 -10.453 -13.068
  278   2H5*    C  27          2H5*        C  27  47.446 -11.337 -14.527
  279    H4*    C  27           H4*        C  27  45.896 -11.951 -12.810
  280    H3*    C  27           H3*        C  27  44.827  -9.960 -14.833
  281    H2*    C  27           H2*        C  27  42.727  -9.933 -13.671
  282   2HO*    C  27          2HO*        C  27  42.080 -11.629 -12.577
  283    H1*    C  27           H1*        C  27  43.710  -9.627 -11.213
  284   1H4     C  27          1H4         C  27  43.433  -3.644 -13.321
  285   2H4     C  27          2H4         C  27  44.975  -3.844 -14.118
  286    H5     C  27           H5         C  27  46.133  -5.945 -14.232
  287    H6     C  27           H6         C  27  46.081  -8.303 -13.625
  288   1H5*    C  28          1H5*        C  28  42.207 -12.245 -14.293
  289   2H5*    C  28          2H5*        C  28  41.232 -13.134 -15.479
  290    H4*    C  28           H4*        C  28  39.670 -11.746 -14.379
  291    H3*    C  28           H3*        C  28  40.628 -10.449 -16.965
  292    H2*    C  28           H2*        C  28  39.046  -8.714 -16.565
  293   2HO*    C  28          2HO*        C  28  38.005 -10.210 -14.367
  294    H1*    C  28           H1*        C  28  39.530  -8.480 -13.862
  295   1H4     C  28          1H4         C  28  43.005  -4.011 -16.758
  296   2H4     C  28          2H4         C  28  44.293  -5.170 -17.004
  297    H5     C  28           H5         C  28  44.081  -7.517 -16.454
  298    H6     C  28           H6         C  28  42.598  -9.236 -15.598
  299   1H5*    C  29          1H5*        C  29  36.650 -11.015 -17.452
  300   2H5*    C  29          2H5*        C  29  36.052 -12.131 -18.696
  301    H4*    C  29           H4*        C  29  34.803 -10.255 -19.219
  302    H3*    C  29           H3*        C  29  37.446 -10.010 -20.709
  303    H2*    C  29           H2*        C  29  36.668  -7.963 -21.614
  304   2HO*    C  29          2HO*        C  29  34.471  -7.352 -21.476
  305    H1*    C  29           H1*        C  29  35.436  -7.015 -19.353
  306   1H4     C  29          1H4         C  29  41.046  -4.069 -19.466
  307   2H4     C  29          2H4         C  29  41.910  -5.583 -19.328
  308    H5     C  29           H5         C  29  40.813  -7.723 -19.254
  309    H6     C  29           H6         C  29  38.653  -8.881 -19.284
  310   1H5*    C  30          1H5*        C  30  33.974  -8.700 -23.021
  311   2H5*    C  30          2H5*        C  30  34.429  -8.599 -24.733
  312    H4*    C  30           H4*        C  30  33.927  -6.389 -23.462
  313    H3*    C  30           H3*        C  30  36.457  -6.865 -25.070
  314    H2*    C  30           H2*        C  30  36.984  -4.607 -24.730
  315   2HO*    C  30          2HO*        C  30  34.584  -4.082 -25.189
  316    H1*    C  30           H1*        C  30  35.909  -4.457 -22.136
  317   1H4     C  30          1H4         C  30  42.232  -4.413 -21.530
  318   2H4     C  30          2H4         C  30  42.326  -6.087 -22.029
  319    H5     C  30           H5         C  30  40.401  -7.363 -22.738
  320    H6     C  30           H6         C  30  37.995  -7.306 -23.126
  321    H3T    C  30           H3T        C  30  34.809  -6.843 -26.469
  Start of MODEL   14
    1   1H5*    G   1          1H5*        G   1  41.134   3.600 -23.254
    2   2H5*    G   1          2H5*        G   1  40.778   4.846 -22.041
    3    H4*    G   1           H4*        G   1  38.661   4.112 -22.837
    4    H3*    G   1           H3*        G   1  39.478   3.091 -20.124
    5    H2*    G   1           H2*        G   1  37.630   1.592 -19.985
    6   2HO*    G   1          2HO*        G   1  35.765   2.130 -20.841
    7    H1*    G   1           H1*        G   1  37.627   0.638 -22.512
    8    H8     G   1           H8         G   1  41.177   1.368 -21.328
    9    H1     G   1           H1         G   1  39.017  -4.356 -19.531
   10   1H2     G   1          1H2         G   1  36.850  -4.521 -19.975
   11   2H2     G   1          2H2         G   1  35.939  -3.224 -20.715
   12    H5T    G   1           H5T        G   1  42.374   3.085 -21.549
   13   1H5*    G   2          1H5*        G   2  36.363   3.489 -19.140
   14   2H5*    G   2          2H5*        G   2  35.731   4.702 -18.007
   15    H4*    G   2           H4*        G   2  35.309   2.841 -16.740
   16    H3*    G   2           H3*        G   2  38.189   3.604 -16.235
   17    H2*    G   2           H2*        G   2  38.626   1.578 -15.214
   18   2HO*    G   2          2HO*        G   2  36.043   0.958 -14.404
   19    H1*    G   2           H1*        G   2  36.263   0.161 -16.151
   20    H8     G   2           H8         G   2  39.210   1.038 -18.350
   21    H1     G   2           H1         G   2  39.877  -4.562 -15.381
   22   1H2     G   2          1H2         G   2  38.180  -4.877 -13.985
   23   2H2     G   2          2H2         G   2  36.895  -3.707 -13.788
   24   1H5*    G   3          1H5*        G   3  35.269   3.621 -12.436
   25   2H5*    G   3          2H5*        G   3  36.105   4.214 -10.987
   26    H4*    G   3           H4*        G   3  34.992   1.917 -10.797
   27    H3*    G   3           H3*        G   3  37.884   2.506 -10.110
   28    H2*    G   3           H2*        G   3  38.284   0.249  -9.636
   29   2HO*    G   3          2HO*        G   3  35.449  -0.076  -9.502
   30    H1*    G   3           H1*        G   3  36.662  -0.916 -11.527
   31    H8     G   3           H8         G   3  38.707   1.831 -13.037
   32    H1     G   3           H1         G   3  42.014  -3.562 -12.279
   33   1H2     G   3          1H2         G   3  40.880  -4.977 -11.005
   34   2H2     G   3          2H2         G   3  39.308  -4.588 -10.343
   35   1H5*    C   4          1H5*        C   4  35.948  -0.149  -7.664
   36   2H5*    C   4          2H5*        C   4  35.819   0.373  -5.972
   37    H4*    C   4           H4*        C   4  36.335  -1.939  -5.855
   38    H3*    C   4           H3*        C   4  38.760  -0.158  -5.447
   39    H2*    C   4           H2*        C   4  40.107  -2.097  -5.143
   40   2HO*    C   4          2HO*        C   4  39.222  -4.138  -4.812
   41    H1*    C   4           H1*        C   4  39.131  -3.532  -7.215
   42   1H4     C   4          1H4         C   4  43.994  -0.214  -9.646
   43   2H4     C   4          2H4         C   4  43.018   1.226  -9.669
   44    H5     C   4           H5         C   4  40.820   1.339  -8.788
   45    H6     C   4           H6         C   4  39.015   0.115  -7.689
   46   1H5*    U   5          1H5*        U   5  38.748  -3.000  -1.995
   47   2H5*    U   5          2H5*        U   5  39.960  -2.383  -0.854
   48    H4*    U   5           H4*        U   5  40.471  -4.550  -2.253
   49    H3*    U   5           H3*        U   5  42.339  -2.201  -1.760
   50    H2*    U   5           H2*        U   5  44.031  -3.398  -2.944
   51   2HO*    U   5          2HO*        U   5  42.594  -5.676  -3.518
   52    H1*    U   5           H1*        U   5  42.452  -4.248  -4.996
   53    H3     U   5           H3         U   5  45.100  -1.020  -6.768
   54    H5     U   5           H5         U   5  42.127   1.092  -4.697
   55    H6     U   5           H6         U   5  41.357  -1.006  -3.770
   56   1H5*    G   6          1H5*        G   6  44.024  -5.663  -1.286
   57   2H5*    G   6          2H5*        G   6  45.340  -5.943  -0.129
   58    H4*    G   6           H4*        G   6  46.010  -6.280  -2.527
   59    H3*    G   6           H3*        G   6  47.353  -4.130  -0.837
   60    H2*    G   6           H2*        G   6  48.831  -3.753  -2.657
   61   2HO*    G   6          2HO*        G   6  47.853  -5.864  -4.219
   62    H1*    G   6           H1*        G   6  46.958  -4.017  -4.666
   63    H8     G   6           H8         G   6  45.281  -1.860  -2.201
   64    H1     G   6           H1         G   6  50.197   1.186  -4.843
   65   1H2     G   6          1H2         G   6  51.429  -0.236  -6.018
   66   2H2     G   6          2H2         G   6  51.062  -1.942  -6.117
   67   1H5*    U   7          1H5*        U   7  50.008  -5.889  -2.261
   68   2H5*    U   7          2H5*        U   7  51.143  -7.013  -1.487
   69    H4*    U   7           H4*        U   7  52.742  -5.720  -2.460
   70    H3*    U   7           H3*        U   7  51.846  -4.071  -0.070
   71    H2*    U   7           H2*        U   7  53.232  -2.304  -0.792
   72   2HO*    U   7          2HO*        U   7  54.662  -2.814  -2.733
   73    H1*    U   7           H1*        U   7  52.745  -2.491  -3.466
   74    H3     U   7           H3         U   7  50.716   1.377  -2.438
   75    H5     U   7           H5         U   7  48.521  -1.448  -0.275
   76    H6     U   7           H6         U   7  50.070  -3.156  -1.011
   77   1H5*    U   8          1H5*        U   8  56.679  -4.360   0.011
   78   2H5*    U   8          2H5*        U   8  56.921  -4.351   1.769
   79    H4*    U   8           H4*        U   8  58.315  -2.654   0.548
   80    H3*    U   8           H3*        U   8  56.262  -1.773   2.617
   81    H2*    U   8           H2*        U   8  57.033   0.469   2.319
   82   2HO*    U   8          2HO*        U   8  58.905   0.921   1.081
   83    H1*    U   8           H1*        U   8  57.076   0.422  -0.394
   84    H3     U   8           H3         U   8  53.443   2.837   0.855
   85    H5     U   8           H5         U   8  52.234  -1.185   1.204
   86    H6     U   8           H6         U   8  54.538  -1.836   0.804
   87   1H5*    U   9          1H5*        U   9  59.668   0.700   2.865
   88   2H5*    U   9          2H5*        U   9  59.906   1.153   4.564
   89    H4*    U   9           H4*        U   9  59.372   3.034   2.854
   90    H3*    U   9           H3*        U   9  57.869   2.651   5.477
   91    H2*    U   9           H2*        U   9  56.736   4.667   5.003
   92   2HO*    U   9          2HO*        U   9  59.039   5.454   4.124
   93    H1*    U   9           H1*        U   9  56.630   4.317   2.215
   94    H3     U   9           H3         U   9  52.434   4.842   4.052
   95    H5     U   9           H5         U   9  53.392   0.752   4.429
   96    H6     U   9           H6         U   9  55.648   1.281   3.758
   97   1H5*    U  10          1H5*        U  10  60.584   6.340   6.751
   98   2H5*    U  10          2H5*        U  10  60.351   6.260   8.509
   99    H4*    U  10           H4*        U  10  59.371   8.293   7.158
  100    H3*    U  10           H3*        U  10  57.879   6.689   9.278
  101    H2*    U  10           H2*        U  10  56.110   8.230   9.034
  102   2HO*    U  10          2HO*        U  10  56.521  10.245   7.811
  103    H1*    U  10           H1*        U  10  56.448   8.680   6.280
  104    H3     U  10           H3         U  10  52.186   7.266   7.161
  105    H5     U  10           H5         U  10  54.541   3.772   7.264
  106    H6     U  10           H6         U  10  56.514   5.177   7.102
  107   1H5*    U  11          1H5*        U  11  57.216  10.990   9.990
  108   2H5*    U  11          2H5*        U  11  57.449  11.179  11.739
  109    H4*    U  11           H4*        U  11  55.260  12.086  10.942
  110    H3*    U  11           H3*        U  11  55.292   9.753  12.892
  111    H2*    U  11           H2*        U  11  52.932   9.912  12.987
  112   2HO*    U  11          2HO*        U  11  51.913  11.830  11.926
  113    H1*    U  11           H1*        U  11  52.504  10.540  10.329
  114    H3     U  11           H3         U  11  50.454   6.552  11.086
  115    H5     U  11           H5         U  11  54.560   5.626  10.917
  116    H6     U  11           H6         U  11  55.021   7.987  10.794
  117   1H5*    C  12          1H5*        C  12  52.868  13.024  14.813
  118   2H5*    C  12          2H5*        C  12  53.152  12.854  16.558
  119    H4*    C  12           H4*        C  12  50.732  12.681  15.926
  120    H3*    C  12           H3*        C  12  52.140  10.290  17.186
  121    H2*    C  12           H2*        C  12  50.036   9.200  17.257
  122   2HO*    C  12          2HO*        C  12  48.352  10.381  17.751
  123    H1*    C  12           H1*        C  12  49.120  10.105  14.798
  124   1H4     C  12          1H4         C  12  51.177   4.131  14.117
  125   2H4     C  12          2H4         C  12  52.833   4.670  14.105
  126    H5     C  12           H5         C  12  53.471   6.955  14.446
  127    H6     C  12           H6         C  12  52.661   9.204  14.903
  128   1H5*    U  13          1H5*        U  13  50.710   8.396  20.764
  129   2H5*    U  13          2H5*        U  13  51.161   8.366  19.046
  130    H4*    U  13           H4*        U  13  48.248   8.250  19.414
  131    H3*    U  13           H3*        U  13  50.014   6.215  20.835
  132    H2*    U  13           H2*        U  13  48.589   4.510  20.086
  133   2HO*    U  13          2HO*        U  13  46.403   4.972  19.462
  134    H1*    U  13           H1*        U  13  47.702   5.809  17.711
  135    H3     U  13           H3         U  13  49.086   1.382  17.246
  136    H5     U  13           H5         U  13  52.446   3.840  16.547
  137    H6     U  13           H6         U  13  51.172   5.710  17.391
  138   1H5*    C  14          1H5*        C  14  46.288   5.213  21.262
  139   2H5*    C  14          2H5*        C  14  45.705   5.084  22.933
  140    H4*    C  14           H4*        C  14  45.028   3.089  21.780
  141    H3*    C  14           H3*        C  14  47.359   2.763  23.698
  142    H2*    C  14           H2*        C  14  47.500   0.468  23.165
  143   2HO*    C  14          2HO*        C  14  45.567  -0.436  23.143
  144    H1*    C  14           H1*        C  14  46.965   0.662  20.464
  145   1H4     C  14          1H4         C  14  53.292   0.288  21.033
  146   2H4     C  14          2H4         C  14  53.364   1.951  21.572
  147    H5     C  14           H5         C  14  51.399   3.305  21.950
  148    H6     C  14           H6         C  14  48.950   3.345  21.875
  149   1H5*    G  15          1H5*        G  15  46.478  -0.172  27.653
  150   2H5*    G  15          2H5*        G  15  47.532   0.982  26.809
  151    H4*    G  15           H4*        G  15  46.751  -1.674  25.575
  152    H3*    G  15           H3*        G  15  48.148  -1.683  27.922
  153    H2*    G  15           H2*        G  15  49.743  -0.003  27.204
  154   2HO*    G  15          2HO*        G  15  51.192  -2.192  26.213
  155    H1*    G  15           H1*        G  15  50.052  -1.578  24.635
  156    H8     G  15           H8         G  15  51.948  -0.352  23.459
  157    H1     G  15           H1         G  15  50.373   5.334  25.857
  158   1H2     G  15          1H2         G  15  48.610   5.126  27.186
  159   2H2     G  15          2H2         G  15  47.830   3.589  27.472
  160   1H5*    C  16          1H5*        C  16  46.004  -4.471  23.080
  161   2H5*    C  16          2H5*        C  16  47.440  -5.267  23.753
  162    H4*    C  16           H4*        C  16  47.295  -2.896  21.875
  163    H3*    C  16           H3*        C  16  47.996  -5.718  21.646
  164    H2*    C  16           H2*        C  16  50.292  -5.448  21.876
  165   2HO*    C  16          2HO*        C  16  50.015  -5.372  19.544
  166    H1*    C  16           H1*        C  16  50.203  -2.496  21.335
  167   1H4     C  16          1H4         C  16  55.708  -3.077  24.474
  168   2H4     C  16          2H4         C  16  55.018  -4.261  25.562
  169    H5     C  16           H5         C  16  52.736  -5.042  25.395
  170    H6     C  16           H6         C  16  50.638  -4.833  24.163
  171   1H5*    U  17          1H5*        U  17  47.036  -4.602  16.542
  172   2H5*    U  17          2H5*        U  17  48.482  -5.297  15.784
  173    H4*    U  17           H4*        U  17  47.872  -2.492  16.491
  174    H3*    U  17           H3*        U  17  49.344  -3.987  14.408
  175    H2*    U  17           H2*        U  17  51.411  -3.084  14.873
  176   2HO*    U  17          2HO*        U  17  50.922  -0.461  15.034
  177    H1*    U  17           H1*        U  17  50.441  -1.065  16.822
  178    H3     U  17           H3         U  17  55.106  -1.360  16.685
  179    H5     U  17           H5         U  17  53.694  -4.366  19.268
  180    H6     U  17           H6         U  17  51.441  -3.932  18.425
  181   1H5*    G  18          1H5*        G  18  45.123  -3.027  13.447
  182   2H5*    G  18          2H5*        G  18  44.742  -2.213  11.916
  183    H4*    G  18           H4*        G  18  43.177  -1.565  13.727
  184    H3*    G  18           H3*        G  18  44.876   0.390  12.251
  185    H2*    G  18           H2*        G  18  44.654   2.158  13.786
  186   2HO*    G  18          2HO*        G  18  42.191   1.138  14.024
  187    H1*    G  18           H1*        G  18  44.671   0.830  16.153
  188    H8     G  18           H8         G  18  47.201  -1.209  14.856
  189    H1     G  18           H1         G  18  49.322   4.773  14.567
  190   1H2     G  18          1H2         G  18  47.634   6.201  14.810
  191   2H2     G  18          2H2         G  18  45.983   5.675  15.051
  192   1H5*    A  19          1H5*        A  19  41.719   2.407  12.483
  193   2H5*    A  19          2H5*        A  19  40.436   2.413  11.257
  194    H4*    A  19           H4*        A  19  40.634   4.680  11.498
  195    H3*    A  19           H3*        A  19  42.810   3.851   9.555
  196    H2*    A  19           H2*        A  19  43.572   6.113   9.468
  197   2HO*    A  19          2HO*        A  19  42.395   7.779  10.557
  198    H1*    A  19           H1*        A  19  43.649   6.498  12.120
  199    H8     A  19           H8         A  19  44.219   2.835  11.340
  200   1H6     A  19          1H6         A  19  50.203   4.162  10.854
  201   2H6     A  19          2H6         A  19  49.021   2.874  10.923
  202    H2     A  19           H2         A  19  47.933   8.022  11.156
  203   1H5*    C  20          1H5*        C  20  41.439   7.365   8.058
  204   2H5*    C  20          2H5*        C  20  41.807   7.507   6.328
  205    H4*    C  20           H4*        C  20  43.189   8.913   8.055
  206    H3*    C  20           H3*        C  20  44.382   7.254   5.795
  207    H2*    C  20           H2*        C  20  46.474   8.217   6.371
  208   2HO*    C  20          2HO*        C  20  46.620  10.088   7.649
  209    H1*    C  20           H1*        C  20  46.000   8.263   9.135
  210   1H4     C  20          1H4         C  20  50.179   3.659   7.775
  211   2H4     C  20          2H4         C  20  48.864   2.508   7.885
  212    H5     C  20           H5         C  20  46.551   3.169   8.110
  213    H6     C  20           H6         C  20  45.002   5.066   8.258
  214   1H5*    U  21          1H5*        U  21  45.807  11.025   4.453
  215   2H5*    U  21          2H5*        U  21  45.981  10.905   2.689
  216    H4*    U  21           H4*        U  21  48.144  10.911   4.141
  217    H3*    U  21           H3*        U  21  47.439   9.059   1.864
  218    H2*    U  21           H2*        U  21  49.122   7.586   2.378
  219   2HO*    U  21          2HO*        U  21  51.188   8.312   2.920
  220    H1*    U  21           H1*        U  21  49.779   8.620   5.024
  221    H3     U  21           H3         U  21  50.569   4.125   4.976
  222    H5     U  21           H5         U  21  46.376   4.524   5.047
  223    H6     U  21           H6         U  21  46.672   6.905   4.659
  224   1H5*    U  22          1H5*        U  22  51.724  11.181   0.776
  225   2H5*    U  22          2H5*        U  22  51.797  10.872  -0.970
  226    H4*    U  22           H4*        U  22  53.772  10.037   0.468
  227    H3*    U  22           H3*        U  22  52.232   8.347  -1.531
  228    H2*    U  22           H2*        U  22  53.688   6.524  -1.057
  229   2HO*    U  22          2HO*        U  22  55.478   7.205   0.617
  230    H1*    U  22           H1*        U  22  53.788   6.842   1.655
  231    H3     U  22           H3         U  22  51.350   3.093   0.609
  232    H5     U  22           H5         U  22  48.625   6.295   0.594
  233    H6     U  22           H6         U  22  50.520   7.792   0.746
  234   1H5*    U  23          1H5*        U  23  56.570   8.034  -2.766
  235   2H5*    U  23          2H5*        U  23  56.564   8.669  -4.425
  236    H4*    U  23           H4*        U  23  57.834   6.661  -4.529
  237    H3*    U  23           H3*        U  23  54.994   6.398  -5.538
  238    H2*    U  23           H2*        U  23  55.266   4.080  -5.875
  239   2HO*    U  23          2HO*        U  23  57.748   4.794  -6.469
  240    H1*    U  23           H1*        U  23  56.738   3.468  -3.683
  241    H3     U  23           H3         U  23  52.805   1.518  -2.692
  242    H5     U  23           H5         U  23  51.942   5.638  -2.453
  243    H6     U  23           H6         U  23  54.178   6.087  -3.283
  244   1H5*    C  24          1H5*        C  24  57.423   4.582  -9.049
  245   2H5*    C  24          2H5*        C  24  56.373   4.999 -10.419
  246    H4*    C  24           H4*        C  24  56.754   2.508 -10.045
  247    H3*    C  24           H3*        C  24  54.003   3.789 -10.143
  248    H2*    C  24           H2*        C  24  53.009   1.662  -9.845
  249   2HO*    C  24          2HO*        C  24  54.741  -0.190  -9.814
  250    H1*    C  24           H1*        C  24  54.786   0.667  -7.998
  251   1H4     C  24          1H4         C  24  49.786   2.902  -4.736
  252   2H4     C  24          2H4         C  24  50.355   4.541  -4.951
  253    H5     C  24           H5         C  24  52.280   5.109  -6.273
  254    H6     C  24           H6         C  24  54.088   4.229  -7.675
  255   1H5*    A  25          1H5*        A  25  54.555   0.318 -12.267
  256   2H5*    A  25          2H5*        A  25  53.501  -0.073 -13.641
  257    H4*    A  25           H4*        A  25  53.455  -1.595 -11.498
  258    H3*    A  25           H3*        A  25  51.122  -0.571 -13.125
  259    H2*    A  25           H2*        A  25  49.580  -1.408 -11.611
  260   2HO*    A  25          2HO*        A  25  50.563  -3.131 -10.043
  261    H1*    A  25           H1*        A  25  51.195  -1.406  -9.283
  262    H8     A  25           H8         A  25  50.914   2.007 -10.631
  263   1H6     A  25          1H6         A  25  45.449   2.439  -7.796
  264   2H6     A  25          2H6         A  25  46.717   3.341  -8.598
  265    H2     A  25           H2         A  25  46.687  -1.876  -7.847
  266   1H5*    G  26          1H5*        G  26  51.794  -5.622 -13.083
  267   2H5*    G  26          2H5*        G  26  50.480  -6.178 -14.137
  268    H4*    G  26           H4*        G  26  50.788  -7.367 -11.857
  269    H3*    G  26           H3*        G  26  48.181  -6.299 -12.977
  270    H2*    G  26           H2*        G  26  47.038  -7.045 -11.021
  271   2HO*    G  26          2HO*        G  26  48.684  -8.192  -9.430
  272    H1*    G  26           H1*        G  26  48.826  -6.176  -9.196
  273    H8     G  26           H8         G  26  49.085  -3.526 -11.616
  274    H1     G  26           H1         G  26  43.364  -3.296  -8.905
  275   1H2     G  26          1H2         G  26  42.956  -5.178  -7.802
  276   2H2     G  26          2H2         G  26  44.105  -6.497  -7.735
  277   1H5*    C  27          1H5*        C  27  47.637  -9.663 -11.584
  278   2H5*    C  27          2H5*        C  27  47.209 -11.160 -12.438
  279    H4*    C  27           H4*        C  27  45.699 -11.158 -10.653
  280    H3*    C  27           H3*        C  27  44.468  -9.932 -13.131
  281    H2*    C  27           H2*        C  27  42.464  -9.439 -11.917
  282   2HO*    C  27          2HO*        C  27  41.959 -10.412 -10.019
  283    H1*    C  27           H1*        C  27  43.607  -8.411  -9.736
  284   1H4     C  27          1H4         C  27  43.172  -3.366 -13.568
  285   2H4     C  27          2H4         C  27  44.670  -3.820 -14.345
  286    H5     C  27           H5         C  27  45.830  -5.868 -13.871
  287    H6     C  27           H6         C  27  45.833  -7.918 -12.560
  288   1H5*    C  28          1H5*        C  28  41.733 -12.309 -11.913
  289   2H5*    C  28          2H5*        C  28  40.756 -13.245 -13.061
  290    H4*    C  28           H4*        C  28  39.346 -11.547 -12.058
  291    H3*    C  28           H3*        C  28  40.178 -10.984 -14.936
  292    H2*    C  28           H2*        C  28  38.695  -9.119 -14.884
  293   2HO*    C  28          2HO*        C  28  37.696 -10.301 -12.480
  294    H1*    C  28           H1*        C  28  39.374  -8.268 -12.353
  295   1H4     C  28          1H4         C  28  42.672  -4.879 -16.640
  296   2H4     C  28          2H4         C  28  43.930  -6.095 -16.627
  297    H5     C  28           H5         C  28  43.746  -8.169 -15.403
  298    H6     C  28           H6         C  28  42.329  -9.524 -13.974
  299   1H5*    C  29          1H5*        C  29  36.157 -10.738 -15.308
  300   2H5*    C  29          2H5*        C  29  35.526 -12.252 -15.987
  301    H4*    C  29           H4*        C  29  34.318 -10.792 -17.280
  302    H3*    C  29           H3*        C  29  37.016 -11.099 -18.637
  303    H2*    C  29           H2*        C  29  36.389  -9.485 -20.242
  304   2HO*    C  29          2HO*        C  29  33.920 -10.472 -19.723
  305    H1*    C  29           H1*        C  29  35.033  -7.772 -18.587
  306   1H4     C  29          1H4         C  29  40.737  -5.069 -19.077
  307   2H4     C  29          2H4         C  29  41.524  -6.462 -18.371
  308    H5     C  29           H5         C  29  40.344  -8.455 -17.734
  309    H6     C  29           H6         C  29  38.157  -9.549 -17.608
  310   1H5*    C  30          1H5*        C  30  33.717 -10.632 -21.536
  311   2H5*    C  30          2H5*        C  30  34.325 -11.163 -23.116
  312    H4*    C  30           H4*        C  30  33.830  -8.635 -22.776
  313    H3*    C  30           H3*        C  30  36.462  -9.704 -23.847
  314    H2*    C  30           H2*        C  30  37.075  -7.482 -24.288
  315   2HO*    C  30          2HO*        C  30  34.692  -7.140 -25.069
  316    H1*    C  30           H1*        C  30  35.822  -6.391 -22.024
  317   1H4     C  30          1H4         C  30  42.061  -6.367 -20.824
  318   2H4     C  30          2H4         C  30  42.092  -8.115 -20.758
  319    H5     C  30           H5         C  30  40.160  -9.486 -21.210
  320    H6     C  30           H6         C  30  37.798  -9.481 -21.824
  321    H3T    C  30           H3T        C  30  34.953  -8.481 -25.640
  Start of MODEL   15
    1   1H5*    G   1          1H5*        G   1  42.086   3.408 -23.011
    2   2H5*    G   1          2H5*        G   1  41.540   4.478 -21.704
    3    H4*    G   1           H4*        G   1  39.603   3.789 -22.975
    4    H3*    G   1           H3*        G   1  39.961   2.755 -20.180
    5    H2*    G   1           H2*        G   1  38.181   1.182 -20.353
    6   2HO*    G   1          2HO*        G   1  37.359   2.156 -22.879
    7    H1*    G   1           H1*        G   1  38.617   0.249 -22.843
    8    H8     G   1           H8         G   1  41.921   1.137 -21.185
    9    H1     G   1           H1         G   1  39.787  -4.662 -19.611
   10   1H2     G   1          1H2         G   1  37.701  -4.926 -20.338
   11   2H2     G   1          2H2         G   1  36.845  -3.675 -21.214
   12    H5T    G   1           H5T        G   1  42.911   3.066 -20.768
   13   1H5*    G   2          1H5*        G   2  36.734   2.979 -19.672
   14   2H5*    G   2          2H5*        G   2  35.886   4.182 -18.678
   15    H4*    G   2           H4*        G   2  35.356   2.330 -17.437
   16    H3*    G   2           H3*        G   2  38.068   3.284 -16.537
   17    H2*    G   2           H2*        G   2  38.559   1.296 -15.484
   18   2HO*    G   2          2HO*        G   2  36.449   1.870 -14.220
   19    H1*    G   2           H1*        G   2  36.448  -0.329 -16.639
   20    H8     G   2           H8         G   2  39.527   0.796 -18.530
   21    H1     G   2           H1         G   2  40.381  -4.661 -15.348
   22   1H2     G   2          1H2         G   2  38.581  -5.103 -14.125
   23   2H2     G   2          2H2         G   2  37.184  -4.052 -14.097
   24   1H5*    G   3          1H5*        G   3  34.733   2.983 -13.039
   25   2H5*    G   3          2H5*        G   3  35.419   3.654 -11.546
   26    H4*    G   3           H4*        G   3  34.497   1.260 -11.419
   27    H3*    G   3           H3*        G   3  37.259   2.125 -10.517
   28    H2*    G   3           H2*        G   3  37.828  -0.080  -9.980
   29   2HO*    G   3          2HO*        G   3  35.305  -1.203 -10.322
   30    H1*    G   3           H1*        G   3  36.503  -1.398 -11.988
   31    H8     G   3           H8         G   3  38.373   1.553 -13.344
   32    H1     G   3           H1         G   3  42.109  -3.507 -12.309
   33   1H2     G   3          1H2         G   3  41.019  -5.016 -11.103
   34   2H2     G   3          2H2         G   3  39.374  -4.773 -10.560
   35   1H5*    C   4          1H5*        C   4  35.469  -0.609  -8.259
   36   2H5*    C   4          2H5*        C   4  35.052  -0.158  -6.594
   37    H4*    C   4           H4*        C   4  35.812  -2.369  -6.370
   38    H3*    C   4           H3*        C   4  38.044  -0.384  -5.817
   39    H2*    C   4           H2*        C   4  39.516  -2.203  -5.382
   40   2HO*    C   4          2HO*        C   4  37.143  -3.792  -5.362
   41    H1*    C   4           H1*        C   4  38.800  -3.748  -7.490
   42   1H4     C   4          1H4         C   4  43.575  -0.146  -9.667
   43   2H4     C   4          2H4         C   4  42.515   1.232  -9.757
   44    H5     C   4           H5         C   4  40.266   1.213  -9.007
   45    H6     C   4           H6         C   4  38.480  -0.118  -8.004
   46   1H5*    U   5          1H5*        U   5  38.133  -3.270  -2.302
   47   2H5*    U   5          2H5*        U   5  39.252  -2.472  -1.179
   48    H4*    U   5           H4*        U   5  39.991  -4.657  -2.465
   49    H3*    U   5           H3*        U   5  41.629  -2.131  -2.015
   50    H2*    U   5           H2*        U   5  43.469  -3.255  -3.056
   51   2HO*    U   5          2HO*        U   5  43.607  -5.331  -2.644
   52    H1*    U   5           H1*        U   5  42.063  -4.248  -5.151
   53    H3     U   5           H3         U   5  44.439  -0.821  -6.912
   54    H5     U   5           H5         U   5  41.320   1.062  -4.830
   55    H6     U   5           H6         U   5  40.684  -1.095  -3.938
   56   1H5*    G   6          1H5*        G   6  43.779  -5.542  -0.790
   57   2H5*    G   6          2H5*        G   6  45.148  -5.196   0.284
   58    H4*    G   6           H4*        G   6  45.620  -6.009  -2.155
   59    H3*    G   6           H3*        G   6  46.954  -3.687  -0.720
   60    H2*    G   6           H2*        G   6  48.343  -3.378  -2.626
   61   2HO*    G   6          2HO*        G   6  48.174  -5.016  -4.384
   62    H1*    G   6           H1*        G   6  46.412  -3.760  -4.529
   63    H8     G   6           H8         G   6  44.584  -1.697  -2.150
   64    H1     G   6           H1         G   6  49.403   1.646  -4.619
   65   1H2     G   6          1H2         G   6  50.783   0.295  -5.719
   66   2H2     G   6          2H2         G   6  50.531  -1.433  -5.813
   67   1H5*    U   7          1H5*        U   7  49.593  -5.404  -2.104
   68   2H5*    U   7          2H5*        U   7  50.770  -6.489  -1.339
   69    H4*    U   7           H4*        U   7  52.314  -5.217  -2.417
   70    H3*    U   7           H3*        U   7  51.502  -3.507  -0.043
   71    H2*    U   7           H2*        U   7  52.819  -1.730  -0.887
   72   2HO*    U   7          2HO*        U   7  54.348  -2.032  -2.535
   73    H1*    U   7           H1*        U   7  52.134  -1.933  -3.490
   74    H3     U   7           H3         U   7  49.926   1.786  -2.212
   75    H5     U   7           H5         U   7  47.966  -1.269  -0.139
   76    H6     U   7           H6         U   7  49.613  -2.836  -0.968
   77   1H5*    U   8          1H5*        U   8  56.309  -3.592  -0.192
   78   2H5*    U   8          2H5*        U   8  56.638  -3.583   1.551
   79    H4*    U   8           H4*        U   8  57.883  -1.809   0.286
   80    H3*    U   8           H3*        U   8  55.872  -1.040   2.440
   81    H2*    U   8           H2*        U   8  56.559   1.237   2.137
   82   2HO*    U   8          2HO*        U   8  58.570   0.217   0.370
   83    H1*    U   8           H1*        U   8  56.383   1.218  -0.557
   84    H3     U   8           H3         U   8  52.671   3.298   1.058
   85    H5     U   8           H5         U   8  51.790  -0.814   1.273
   86    H6     U   8           H6         U   8  54.103  -1.267   0.704
   87   1H5*    U   9          1H5*        U   9  59.146   1.187   2.887
   88   2H5*    U   9          2H5*        U   9  59.428   1.786   4.533
   89    H4*    U   9           H4*        U   9  58.776   3.516   2.730
   90    H3*    U   9           H3*        U   9  57.292   3.241   5.379
   91    H2*    U   9           H2*        U   9  56.123   5.217   4.774
   92   2HO*    U   9          2HO*        U   9  57.976   5.590   2.632
   93    H1*    U   9           H1*        U   9  55.939   4.622   2.048
   94    H3     U   9           H3         U   9  51.811   5.080   4.118
   95    H5     U   9           H5         U   9  52.922   1.022   4.446
   96    H6     U   9           H6         U   9  55.131   1.625   3.694
   97   1H5*    U  10          1H5*        U  10  59.809   7.085   6.380
   98   2H5*    U  10          2H5*        U  10  59.637   7.113   8.146
   99    H4*    U  10           H4*        U  10  58.479   8.975   6.686
  100    H3*    U  10           H3*        U  10  57.212   7.448   8.998
  101    H2*    U  10           H2*        U  10  55.291   8.791   8.720
  102   2HO*    U  10          2HO*        U  10  55.714  10.852   8.494
  103    H1*    U  10           H1*        U  10  55.449   9.041   5.929
  104    H3     U  10           H3         U  10  51.424   7.252   7.202
  105    H5     U  10           H5         U  10  54.135   4.026   7.194
  106    H6     U  10           H6         U  10  55.934   5.626   6.880
  107   1H5*    U  11          1H5*        U  11  56.563  11.581   9.876
  108   2H5*    U  11          2H5*        U  11  56.970  11.868  11.580
  109    H4*    U  11           H4*        U  11  54.685  12.633  11.125
  110    H3*    U  11           H3*        U  11  54.965  10.139  12.845
  111    H2*    U  11           H2*        U  11  52.624  10.168  13.127
  112   2HO*    U  11          2HO*        U  11  51.388  12.066  12.581
  113    H1*    U  11           H1*        U  11  51.961  11.098  10.594
  114    H3     U  11           H3         U  11  49.942   7.064  11.109
  115    H5     U  11           H5         U  11  54.023   6.133  10.650
  116    H6     U  11           H6         U  11  54.504   8.500  10.674
  117   1H5*    C  12          1H5*        C  12  52.632  13.218  15.487
  118   2H5*    C  12          2H5*        C  12  52.983  12.601  17.113
  119    H4*    C  12           H4*        C  12  50.511  12.679  16.413
  120    H3*    C  12           H3*        C  12  51.890  10.171  17.456
  121    H2*    C  12           H2*        C  12  49.800   9.067  17.380
  122   2HO*    C  12          2HO*        C  12  48.425  10.523  18.316
  123    H1*    C  12           H1*        C  12  48.896  10.200  15.017
  124   1H4     C  12          1H4         C  12  51.086   4.378  13.723
  125   2H4     C  12          2H4         C  12  52.726   4.968  13.739
  126    H5     C  12           H5         C  12  53.304   7.224  14.310
  127    H6     C  12           H6         C  12  52.436   9.384  15.019
  128   1H5*    U  13          1H5*        U  13  50.422   8.164  21.221
  129   2H5*    U  13          2H5*        U  13  51.205   7.943  19.643
  130    H4*    U  13           H4*        U  13  48.221   7.572  19.792
  131    H3*    U  13           H3*        U  13  50.292   5.711  21.023
  132    H2*    U  13           H2*        U  13  49.196   3.886  20.063
  133   2HO*    U  13          2HO*        U  13  46.827   4.473  19.329
  134    H1*    U  13           H1*        U  13  47.925   5.318  17.924
  135    H3     U  13           H3         U  13  49.634   1.229  16.623
  136    H5     U  13           H5         U  13  52.829   3.977  16.426
  137    H6     U  13           H6         U  13  51.436   5.581  17.574
  138   1H5*    C  14          1H5*        C  14  46.549   4.176  21.432
  139   2H5*    C  14          2H5*        C  14  46.129   3.790  23.112
  140    H4*    C  14           H4*        C  14  45.578   1.895  21.714
  141    H3*    C  14           H3*        C  14  47.941   1.616  23.587
  142    H2*    C  14           H2*        C  14  48.396  -0.554  22.785
  143   2HO*    C  14          2HO*        C  14  46.292  -0.974  21.105
  144    H1*    C  14           H1*        C  14  47.821  -0.149  20.125
  145   1H4     C  14          1H4         C  14  54.132   0.483  20.548
  146   2H4     C  14          2H4         C  14  53.944   2.076  21.246
  147    H5     C  14           H5         C  14  51.800   3.030  21.804
  148    H6     C  14           H6         C  14  49.374   2.653  21.800
  149   1H5*    G  15          1H5*        G  15  47.632  -1.474  27.307
  150   2H5*    G  15          2H5*        G  15  48.422  -0.198  26.356
  151    H4*    G  15           H4*        G  15  47.834  -2.875  25.094
  152    H3*    G  15           H3*        G  15  49.297  -2.934  27.391
  153    H2*    G  15           H2*        G  15  50.736  -1.089  26.768
  154   2HO*    G  15          2HO*        G  15  52.251  -3.187  25.619
  155    H1*    G  15           H1*        G  15  51.128  -2.419  24.080
  156    H8     G  15           H8         G  15  52.843  -0.898  22.958
  157    H1     G  15           H1         G  15  50.761   4.371  25.874
  158   1H2     G  15          1H2         G  15  49.074   3.875  27.221
  159   2H2     G  15          2H2         G  15  48.461   2.248  27.395
  160   1H5*    C  16          1H5*        C  16  47.220  -5.467  22.406
  161   2H5*    C  16          2H5*        C  16  48.748  -6.183  22.959
  162    H4*    C  16           H4*        C  16  48.330  -3.651  21.345
  163    H3*    C  16           H3*        C  16  49.205  -6.363  20.760
  164    H2*    C  16           H2*        C  16  51.486  -5.956  21.029
  165   2HO*    C  16          2HO*        C  16  50.845  -5.448  18.635
  166    H1*    C  16           H1*        C  16  51.124  -2.979  20.713
  167   1H4     C  16          1H4         C  16  56.820  -3.166  23.537
  168   2H4     C  16          2H4         C  16  56.326  -4.494  24.563
  169    H5     C  16           H5         C  16  54.137  -5.517  24.441
  170    H6     C  16           H6         C  16  51.967  -5.468  23.314
  171   1H5*    U  17          1H5*        U  17  48.115  -4.898  15.733
  172   2H5*    U  17          2H5*        U  17  49.648  -5.381  14.985
  173    H4*    U  17           H4*        U  17  48.704  -2.704  15.843
  174    H3*    U  17           H3*        U  17  50.263  -3.903  13.637
  175    H2*    U  17           H2*        U  17  52.238  -2.822  14.113
  176   2HO*    U  17          2HO*        U  17  51.557  -0.276  14.388
  177    H1*    U  17           H1*        U  17  51.102  -1.006  16.173
  178    H3     U  17           H3         U  17  55.769  -0.775  15.948
  179    H5     U  17           H5         U  17  54.755  -4.054  18.382
  180    H6     U  17           H6         U  17  52.443  -3.816  17.614
  181   1H5*    G  18          1H5*        G  18  45.903  -3.434  12.990
  182   2H5*    G  18          2H5*        G  18  45.310  -2.562  11.562
  183    H4*    G  18           H4*        G  18  43.837  -2.263  13.550
  184    H3*    G  18           H3*        G  18  45.099  -0.025  12.048
  185    H2*    G  18           H2*        G  18  44.844   1.619  13.704
  186   2HO*    G  18          2HO*        G  18  42.975   1.722  14.679
  187    H1*    G  18           H1*        G  18  45.207   0.189  15.989
  188    H8     G  18           H8         G  18  47.843  -1.428  14.343
  189    H1     G  18           H1         G  18  49.262   4.759  14.483
  190   1H2     G  18          1H2         G  18  47.448   5.955  14.957
  191   2H2     G  18          2H2         G  18  45.885   5.224  15.243
  192   1H5*    A  19          1H5*        A  19  41.695   1.693  12.832
  193   2H5*    A  19          2H5*        A  19  40.420   1.612  11.598
  194    H4*    A  19           H4*        A  19  40.310   3.866  12.002
  195    H3*    A  19           H3*        A  19  42.552   3.448  10.007
  196    H2*    A  19           H2*        A  19  43.074   5.780  10.090
  197   2HO*    A  19          2HO*        A  19  41.696   7.265  10.874
  198    H1*    A  19           H1*        A  19  43.206   5.951  12.747
  199    H8     A  19           H8         A  19  43.955   2.382  11.760
  200   1H6     A  19          1H6         A  19  49.807   4.086  10.936
  201   2H6     A  19          2H6         A  19  48.707   2.727  11.018
  202    H2     A  19           H2         A  19  47.354   7.785  11.591
  203   1H5*    C  20          1H5*        C  20  40.846   6.718   8.805
  204   2H5*    C  20          2H5*        C  20  41.017   7.092   7.079
  205    H4*    C  20           H4*        C  20  42.428   8.487   8.711
  206    H3*    C  20           H3*        C  20  43.679   6.931   6.408
  207    H2*    C  20           H2*        C  20  45.697   8.081   6.931
  208   2HO*    C  20          2HO*        C  20  45.087   9.736   8.899
  209    H1*    C  20           H1*        C  20  45.337   7.980   9.698
  210   1H4     C  20          1H4         C  20  49.677   3.678   7.848
  211   2H4     C  20          2H4         C  20  48.445   2.446   8.033
  212    H5     C  20           H5         C  20  46.122   2.958   8.475
  213    H6     C  20           H6         C  20  44.484   4.754   8.815
  214   1H5*    U  21          1H5*        U  21  44.770  10.779   5.118
  215   2H5*    U  21          2H5*        U  21  44.908  10.742   3.348
  216    H4*    U  21           H4*        U  21  47.098  10.875   4.747
  217    H3*    U  21           H3*        U  21  46.485   9.072   2.409
  218    H2*    U  21           H2*        U  21  48.281   7.704   2.826
  219   2HO*    U  21          2HO*        U  21  50.236   8.869   3.873
  220    H1*    U  21           H1*        U  21  48.945   8.672   5.490
  221    H3     U  21           H3         U  21  50.026   4.233   5.191
  222    H5     U  21           H5         U  21  45.835   4.366   5.555
  223    H6     U  21           H6         U  21  45.958   6.772   5.227
  224   1H5*    U  22          1H5*        U  22  50.573  11.368   1.693
  225   2H5*    U  22          2H5*        U  22  50.669  11.536  -0.071
  226    H4*    U  22           H4*        U  22  52.726  10.530   0.949
  227    H3*    U  22           H3*        U  22  51.058   8.987  -1.068
  228    H2*    U  22           H2*        U  22  52.630   7.210  -0.957
  229   2HO*    U  22          2HO*        U  22  54.296   9.192   0.197
  230    H1*    U  22           H1*        U  22  52.999   7.211   1.739
  231    H3     U  22           H3         U  22  50.614   3.489   0.519
  232    H5     U  22           H5         U  22  47.776   6.552   1.013
  233    H6     U  22           H6         U  22  49.618   8.115   1.192
  234   1H5*    U  23          1H5*        U  23  55.529   8.847  -2.293
  235   2H5*    U  23          2H5*        U  23  55.415   9.445  -3.960
  236    H4*    U  23           H4*        U  23  56.846   7.495  -3.958
  237    H3*    U  23           H3*        U  23  54.090   7.186  -5.165
  238    H2*    U  23           H2*        U  23  54.459   4.889  -5.558
  239   2HO*    U  23          2HO*        U  23  57.194   5.087  -4.865
  240    H1*    U  23           H1*        U  23  55.829   4.257  -3.299
  241    H3     U  23           H3         U  23  51.975   2.081  -2.535
  242    H5     U  23           H5         U  23  50.875   6.142  -2.268
  243    H6     U  23           H6         U  23  53.115   6.729  -2.996
  244   1H5*    C  24          1H5*        C  24  56.687   5.588  -8.609
  245   2H5*    C  24          2H5*        C  24  55.608   5.877  -9.988
  246    H4*    C  24           H4*        C  24  56.144   3.422  -9.408
  247    H3*    C  24           H3*        C  24  53.341   4.549  -9.752
  248    H2*    C  24           H2*        C  24  52.462   2.378  -9.400
  249   2HO*    C  24          2HO*        C  24  54.283   0.637  -9.190
  250    H1*    C  24           H1*        C  24  54.233   1.585  -7.427
  251   1H4     C  24          1H4         C  24  48.912   3.367  -4.431
  252   2H4     C  24          2H4         C  24  49.314   5.053  -4.670
  253    H5     C  24           H5         C  24  51.224   5.787  -5.939
  254    H6     C  24           H6         C  24  53.160   5.064  -7.257
  255   1H5*    A  25          1H5*        A  25  54.242   1.137 -11.647
  256   2H5*    A  25          2H5*        A  25  53.383   0.548 -13.084
  257    H4*    A  25           H4*        A  25  53.190  -0.825 -10.880
  258    H3*    A  25           H3*        A  25  50.917   0.023 -12.692
  259    H2*    A  25           H2*        A  25  49.349  -0.882 -11.241
  260   2HO*    A  25          2HO*        A  25  51.397  -2.713 -10.814
  261    H1*    A  25           H1*        A  25  50.850  -0.693  -8.835
  262    H8     A  25           H8         A  25  50.362   2.653 -10.265
  263   1H6     A  25          1H6         A  25  44.707   2.676  -7.788
  264   2H6     A  25          2H6         A  25  45.948   3.669  -8.523
  265    H2     A  25           H2         A  25  46.287  -1.522  -7.675
  266   1H5*    G  26          1H5*        G  26  52.001  -4.862 -12.382
  267   2H5*    G  26          2H5*        G  26  50.890  -5.646 -13.521
  268    H4*    G  26           H4*        G  26  51.094  -6.706 -11.191
  269    H3*    G  26           H3*        G  26  48.478  -5.923 -12.513
  270    H2*    G  26           H2*        G  26  47.291  -6.745 -10.605
  271   2HO*    G  26          2HO*        G  26  49.749  -7.701  -9.520
  272    H1*    G  26           H1*        G  26  48.832  -5.612  -8.718
  273    H8     G  26           H8         G  26  49.054  -3.035 -11.205
  274    H1     G  26           H1         G  26  43.118  -3.244  -8.981
  275   1H2     G  26          1H2         G  26  42.777  -5.130  -7.873
  276   2H2     G  26          2H2         G  26  44.020  -6.349  -7.677
  277   1H5*    C  27          1H5*        C  27  48.100  -9.267 -10.967
  278   2H5*    C  27          2H5*        C  27  47.728 -10.780 -11.819
  279    H4*    C  27           H4*        C  27  46.177 -10.731 -10.042
  280    H3*    C  27           H3*        C  27  45.003  -9.760 -12.660
  281    H2*    C  27           H2*        C  27  42.919  -9.302 -11.575
  282   2HO*    C  27          2HO*        C  27  42.400 -10.120  -9.589
  283    H1*    C  27           H1*        C  27  43.900  -8.061  -9.418
  284   1H4     C  27          1H4         C  27  43.349  -3.280 -13.542
  285   2H4     C  27          2H4         C  27  44.905  -3.682 -14.232
  286    H5     C  27           H5         C  27  46.161  -5.635 -13.603
  287    H6     C  27           H6         C  27  46.207  -7.624 -12.194
  288   1H5*    C  28          1H5*        C  28  42.473 -11.840 -11.266
  289   2H5*    C  28          2H5*        C  28  41.518 -13.105 -12.064
  290    H4*    C  28           H4*        C  28  39.933 -11.422 -11.606
  291    H3*    C  28           H3*        C  28  41.001 -11.086 -14.445
  292    H2*    C  28           H2*        C  28  39.389  -9.350 -14.712
  293   2HO*    C  28          2HO*        C  28  37.831 -10.762 -13.336
  294    H1*    C  28           H1*        C  28  39.762  -8.222 -12.218
  295   1H4     C  28          1H4         C  28  43.214  -4.817 -16.344
  296   2H4     C  28          2H4         C  28  44.509  -5.991 -16.252
  297    H5     C  28           H5         C  28  44.331  -8.056 -15.014
  298    H6     C  28           H6         C  28  42.882  -9.442 -13.635
  299   1H5*    C  29          1H5*        C  29  36.694 -11.534 -15.536
  300   2H5*    C  29          2H5*        C  29  36.762 -13.027 -16.493
  301    H4*    C  29           H4*        C  29  35.645 -11.510 -17.911
  302    H3*    C  29           H3*        C  29  38.618 -11.601 -18.546
  303    H2*    C  29           H2*        C  29  38.259 -10.028 -20.269
  304   2HO*    C  29          2HO*        C  29  35.673  -9.613 -20.420
  305    H1*    C  29           H1*        C  29  36.337  -8.503 -19.003
  306   1H4     C  29          1H4         C  29  41.653  -5.117 -18.404
  307   2H4     C  29          2H4         C  29  42.471  -6.431 -17.595
  308    H5     C  29           H5         C  29  41.453  -8.561 -17.193
  309    H6     C  29           H6         C  29  39.422  -9.904 -17.453
  310   1H5*    C  30          1H5*        C  30  35.967 -11.552 -22.170
  311   2H5*    C  30          2H5*        C  30  36.980 -11.945 -23.572
  312    H4*    C  30           H4*        C  30  36.019  -9.535 -23.385
  313    H3*    C  30           H3*        C  30  38.951 -10.163 -23.864
  314    H2*    C  30           H2*        C  30  39.308  -7.862 -24.192
  315   2HO*    C  30          2HO*        C  30  37.028  -7.876 -25.369
  316    H1*    C  30           H1*        C  30  37.529  -7.016 -22.207
  317   1H4     C  30          1H4         C  30  43.336  -6.402 -19.704
  318   2H4     C  30          2H4         C  30  43.577  -8.134 -19.734
  319    H5     C  30           H5         C  30  41.966  -9.671 -20.649
  320    H6     C  30           H6         C  30  39.786  -9.890 -21.734
  321    H3T    C  30           H3T        C  30  37.674  -9.108 -25.933
  Start of MODEL   16
    1   1H5*    G   1          1H5*        G   1  40.752   5.114 -22.334
    2   2H5*    G   1          2H5*        G   1  40.959   6.358 -21.083
    3    H4*    G   1           H4*        G   1  38.643   5.978 -21.069
    4    H3*    G   1           H3*        G   1  40.125   4.506 -18.911
    5    H2*    G   1           H2*        G   1  38.230   3.196 -18.291
    6   2HO*    G   1          2HO*        G   1  36.112   3.771 -19.115
    7    H1*    G   1           H1*        G   1  37.224   2.640 -20.733
    8    H8     G   1           H8         G   1  41.050   2.814 -20.509
    9    H1     G   1           H1         G   1  38.612  -2.984 -19.479
   10   1H2     G   1          1H2         G   1  36.392  -2.863 -19.413
   11   2H2     G   1          2H2         G   1  35.527  -1.357 -19.619
   12    H5T    G   1           H5T        G   1  41.920   4.957 -19.811
   13   1H5*    G   2          1H5*        G   2  37.035   5.226 -17.395
   14   2H5*    G   2          2H5*        G   2  36.722   6.033 -15.848
   15    H4*    G   2           H4*        G   2  35.936   3.872 -15.435
   16    H3*    G   2           H3*        G   2  38.809   4.169 -14.550
   17    H2*    G   2           H2*        G   2  39.011   1.898 -14.187
   18   2HO*    G   2          2HO*        G   2  36.653   0.863 -13.797
   19    H1*    G   2           H1*        G   2  36.745   1.013 -15.735
   20    H8     G   2           H8         G   2  39.955   2.503 -17.133
   21    H1     G   2           H1         G   2  40.251  -3.809 -16.279
   22   1H2     G   2          1H2         G   2  38.389  -4.525 -15.308
   23   2H2     G   2          2H2         G   2  37.081  -3.447 -14.874
   24   1H5*    G   3          1H5*        G   3  35.602   3.130 -11.220
   25   2H5*    G   3          2H5*        G   3  36.283   3.254  -9.585
   26    H4*    G   3           H4*        G   3  35.150   1.034 -10.182
   27    H3*    G   3           H3*        G   3  37.958   1.314  -9.077
   28    H2*    G   3           H2*        G   3  38.289  -0.998  -9.218
   29   2HO*    G   3          2HO*        G   3  35.447  -1.150  -9.260
   30    H1*    G   3           H1*        G   3  36.815  -1.531 -11.490
   31    H8     G   3           H8         G   3  39.064   1.367 -12.104
   32    H1     G   3           H1         G   3  42.153  -4.192 -12.415
   33   1H2     G   3          1H2         G   3  40.887  -5.822 -11.614
   34   2H2     G   3          2H2         G   3  39.273  -5.538 -10.996
   35   1H5*    C   4          1H5*        C   4  35.955  -1.838  -7.599
   36   2H5*    C   4          2H5*        C   4  35.580  -1.747  -5.866
   37    H4*    C   4           H4*        C   4  36.215  -3.983  -6.114
   38    H3*    C   4           H3*        C   4  38.598  -2.295  -5.289
   39    H2*    C   4           H2*        C   4  39.980  -4.230  -5.344
   40   2HO*    C   4          2HO*        C   4  39.025  -5.968  -4.574
   41    H1*    C   4           H1*        C   4  39.054  -5.269  -7.679
   42   1H4     C   4          1H4         C   4  43.971  -1.542  -9.268
   43   2H4     C   4          2H4         C   4  43.024  -0.119  -8.949
   44    H5     C   4           H5         C   4  40.812  -0.171  -8.088
   45    H6     C   4           H6         C   4  38.970  -1.597  -7.341
   46   1H5*    U   5          1H5*        U   5  38.786  -5.760  -2.328
   47   2H5*    U   5          2H5*        U   5  39.858  -5.092  -1.082
   48    H4*    U   5           H4*        U   5  40.721  -7.049  -2.591
   49    H3*    U   5           H3*        U   5  42.242  -4.498  -1.927
   50    H2*    U   5           H2*        U   5  44.107  -5.426  -3.102
   51   2HO*    U   5          2HO*        U   5  43.812  -7.674  -3.962
   52    H1*    U   5           H1*        U   5  42.698  -6.345  -5.241
   53    H3     U   5           H3         U   5  44.959  -2.740  -6.783
   54    H5     U   5           H5         U   5  41.801  -1.088  -4.569
   55    H6     U   5           H6         U   5  41.235  -3.324  -3.815
   56   1H5*    G   6          1H5*        G   6  44.670  -7.933  -1.150
   57   2H5*    G   6          2H5*        G   6  46.030  -7.555  -0.073
   58    H4*    G   6           H4*        G   6  46.489  -8.124  -2.599
   59    H3*    G   6           H3*        G   6  47.710  -5.867  -0.967
   60    H2*    G   6           H2*        G   6  49.010  -5.262  -2.854
   61   2HO*    G   6          2HO*        G   6  49.743  -6.757  -4.162
   62    H1*    G   6           H1*        G   6  47.078  -5.686  -4.773
   63    H8     G   6           H8         G   6  45.225  -3.873  -2.195
   64    H1     G   6           H1         G   6  49.650  -0.086  -4.763
   65   1H2     G   6          1H2         G   6  51.046  -1.289  -6.009
   66   2H2     G   6          2H2         G   6  50.903  -3.024  -6.175
   67   1H5*    U   7          1H5*        U   7  50.428  -7.249  -2.605
   68   2H5*    U   7          2H5*        U   7  51.746  -8.252  -1.971
   69    H4*    U   7           H4*        U   7  53.089  -6.721  -2.990
   70    H3*    U   7           H3*        U   7  52.193  -5.308  -0.451
   71    H2*    U   7           H2*        U   7  53.390  -3.382  -1.174
   72   2HO*    U   7          2HO*        U   7  55.197  -4.811  -1.970
   73    H1*    U   7           H1*        U   7  52.642  -3.468  -3.791
   74    H3     U   7           H3         U   7  50.296   0.085  -2.362
   75    H5     U   7           H5         U   7  48.563  -3.105  -0.280
   76    H6     U   7           H6         U   7  50.245  -4.576  -1.212
   77   1H5*    U   8          1H5*        U   8  56.783  -4.663  -0.343
   78   2H5*    U   8          2H5*        U   8  57.075  -4.742   1.405
   79    H4*    U   8           H4*        U   8  57.808  -2.580   0.323
   80    H3*    U   8           H3*        U   8  55.710  -2.591   2.531
   81    H2*    U   8           H2*        U   8  55.649  -0.240   2.420
   82   2HO*    U   8          2HO*        U   8  57.383   0.928   1.355
   83    H1*    U   8           H1*        U   8  56.202   0.002  -0.337
   84    H3     U   8           H3         U   8  52.324   2.213   0.284
   85    H5     U   8           H5         U   8  51.275  -1.849   0.682
   86    H6     U   8           H6         U   8  53.637  -2.384   0.621
   87   1H5*    U   9          1H5*        U   9  59.266   0.287   2.781
   88   2H5*    U   9          2H5*        U   9  59.538   0.709   4.483
   89    H4*    U   9           H4*        U   9  59.185   2.639   2.772
   90    H3*    U   9           H3*        U   9  57.687   2.380   5.411
   91    H2*    U   9           H2*        U   9  56.718   4.493   4.970
   92   2HO*    U   9          2HO*        U   9  58.285   4.998   2.689
   93    H1*    U   9           H1*        U   9  56.433   4.139   2.213
   94    H3     U   9           H3         U   9  52.289   4.722   4.046
   95    H5     U   9           H5         U   9  53.308   0.714   4.883
   96    H6     U   9           H6         U   9  55.538   1.177   4.056
   97   1H5*    U  10          1H5*        U  10  60.555   5.891   6.441
   98   2H5*    U  10          2H5*        U  10  60.492   5.916   8.215
   99    H4*    U  10           H4*        U  10  59.428   7.899   6.869
  100    H3*    U  10           H3*        U  10  58.085   6.413   9.167
  101    H2*    U  10           H2*        U  10  56.309   7.962   8.988
  102   2HO*    U  10          2HO*        U  10  58.266   9.566   7.719
  103    H1*    U  10           H1*        U  10  56.395   8.243   6.205
  104    H3     U  10           H3         U  10  52.272   6.802   7.546
  105    H5     U  10           H5         U  10  54.684   3.349   7.524
  106    H6     U  10           H6         U  10  56.611   4.781   7.149
  107   1H5*    U  11          1H5*        U  11  57.690  10.753   9.784
  108   2H5*    U  11          2H5*        U  11  57.920  11.011  11.525
  109    H4*    U  11           H4*        U  11  55.747  11.923  10.631
  110    H3*    U  11           H3*        U  11  55.779   9.784  12.789
  111    H2*    U  11           H2*        U  11  53.425   9.927  12.877
  112   2HO*    U  11          2HO*        U  11  53.835  12.462  11.669
  113    H1*    U  11           H1*        U  11  52.969  10.386  10.180
  114    H3     U  11           H3         U  11  50.839   6.494  11.105
  115    H5     U  11           H5         U  11  54.930   5.485  11.098
  116    H6     U  11           H6         U  11  55.444   7.831  10.890
  117   1H5*    C  12          1H5*        C  12  53.523  13.301  14.552
  118   2H5*    C  12          2H5*        C  12  53.786  13.181  16.303
  119    H4*    C  12           H4*        C  12  51.366  13.061  15.625
  120    H3*    C  12           H3*        C  12  52.680  10.703  17.045
  121    H2*    C  12           H2*        C  12  50.532   9.709  17.162
  122   2HO*    C  12          2HO*        C  12  49.080  11.828  16.112
  123    H1*    C  12           H1*        C  12  49.657  10.558  14.650
  124   1H4     C  12          1H4         C  12  51.244   4.419  14.259
  125   2H4     C  12          2H4         C  12  52.940   4.824  14.263
  126    H5     C  12           H5         C  12  53.755   7.066  14.521
  127    H6     C  12           H6         C  12  53.124   9.387  14.847
  128   1H5*    U  13          1H5*        U  13  51.016   9.212  20.840
  129   2H5*    U  13          2H5*        U  13  51.542   8.976  19.160
  130    H4*    U  13           H4*        U  13  48.613   9.112  19.400
  131    H3*    U  13           H3*        U  13  50.175   7.109  21.079
  132    H2*    U  13           H2*        U  13  48.724   5.408  20.392
  133   2HO*    U  13          2HO*        U  13  46.587   6.095  19.445
  134    H1*    U  13           H1*        U  13  47.971   6.555  17.888
  135    H3     U  13           H3         U  13  49.106   2.054  17.715
  136    H5     U  13           H5         U  13  52.661   4.254  17.130
  137    H6     U  13           H6         U  13  51.464   6.243  17.780
  138   1H5*    C  14          1H5*        C  14  46.390   6.443  21.556
  139   2H5*    C  14          2H5*        C  14  45.748   6.424  23.210
  140    H4*    C  14           H4*        C  14  45.038   4.399  22.111
  141    H3*    C  14           H3*        C  14  47.215   4.112  24.202
  142    H2*    C  14           H2*        C  14  47.353   1.794  23.798
  143   2HO*    C  14          2HO*        C  14  44.729   2.083  23.321
  144    H1*    C  14           H1*        C  14  46.995   1.830  21.064
  145   1H4     C  14          1H4         C  14  53.275   1.430  21.980
  146   2H4     C  14          2H4         C  14  53.343   3.130  22.386
  147    H5     C  14           H5         C  14  51.383   4.526  22.564
  148    H6     C  14           H6         C  14  48.940   4.581  22.392
  149   1H5*    G  15          1H5*        G  15  46.052   1.493  28.245
  150   2H5*    G  15          2H5*        G  15  47.155   2.580  27.374
  151    H4*    G  15           H4*        G  15  46.402  -0.131  26.258
  152    H3*    G  15           H3*        G  15  47.656  -0.029  28.694
  153    H2*    G  15           H2*        G  15  49.354   1.537  27.971
  154   2HO*    G  15          2HO*        G  15  51.224  -0.006  27.417
  155    H1*    G  15           H1*        G  15  49.717  -0.203  25.516
  156    H8     G  15           H8         G  15  51.702   0.848  24.332
  157    H1     G  15           H1         G  15  50.456   6.737  26.415
  158   1H2     G  15          1H2         G  15  48.637   6.720  27.678
  159   2H2     G  15          2H2         G  15  47.737   5.258  28.000
  160   1H5*    C  16          1H5*        C  16  45.516  -2.954  23.985
  161   2H5*    C  16          2H5*        C  16  46.867  -3.823  24.743
  162    H4*    C  16           H4*        C  16  46.952  -1.579  22.716
  163    H3*    C  16           H3*        C  16  47.589  -4.450  22.767
  164    H2*    C  16           H2*        C  16  49.882  -4.189  22.943
  165   2HO*    C  16          2HO*        C  16  50.508  -4.179  20.933
  166    H1*    C  16           H1*        C  16  49.805  -1.266  22.255
  167   1H4     C  16          1H4         C  16  55.291  -1.724  25.446
  168   2H4     C  16          2H4         C  16  54.580  -2.824  26.606
  169    H5     C  16           H5         C  16  52.289  -3.591  26.472
  170    H6     C  16           H6         C  16  50.202  -3.437  25.214
  171   1H5*    U  17          1H5*        U  17  46.928  -3.947  17.510
  172   2H5*    U  17          2H5*        U  17  48.417  -4.769  17.008
  173    H4*    U  17           H4*        U  17  47.843  -1.880  17.295
  174    H3*    U  17           H3*        U  17  49.433  -3.661  15.539
  175    H2*    U  17           H2*        U  17  51.482  -2.747  16.083
  176   2HO*    U  17          2HO*        U  17  51.092  -0.123  15.847
  177    H1*    U  17           H1*        U  17  50.363  -0.469  17.643
  178    H3     U  17           H3         U  17  55.002  -0.647  18.063
  179    H5     U  17           H5         U  17  53.380  -3.447  20.753
  180    H6     U  17           H6         U  17  51.223  -3.150  19.654
  181   1H5*    G  18          1H5*        G  18  45.298  -2.831  14.320
  182   2H5*    G  18          2H5*        G  18  44.947  -2.189  12.702
  183    H4*    G  18           H4*        G  18  43.339  -1.368  14.411
  184    H3*    G  18           H3*        G  18  45.024   0.418  12.727
  185    H2*    G  18           H2*        G  18  44.806   2.351  14.044
  186   2HO*    G  18          2HO*        G  18  42.630   1.174  15.466
  187    H1*    G  18           H1*        G  18  44.750   1.319  16.560
  188    H8     G  18           H8         G  18  47.328  -0.830  15.513
  189    H1     G  18           H1         G  18  49.457   5.120  14.881
  190   1H2     G  18          1H2         G  18  47.757   6.554  14.940
  191   2H2     G  18          2H2         G  18  46.098   6.041  15.146
  192   1H5*    A  19          1H5*        A  19  42.234   2.877  13.298
  193   2H5*    A  19          2H5*        A  19  40.923   2.760  12.106
  194    H4*    A  19           H4*        A  19  41.044   5.049  12.225
  195    H3*    A  19           H3*        A  19  43.097   4.127  10.207
  196    H2*    A  19           H2*        A  19  43.961   6.338   9.985
  197   2HO*    A  19          2HO*        A  19  41.474   6.997  10.983
  198    H1*    A  19           H1*        A  19  44.236   6.842  12.580
  199    H8     A  19           H8         A  19  44.411   3.095  11.996
  200   1H6     A  19          1H6         A  19  50.463   3.803  11.167
  201   2H6     A  19          2H6         A  19  49.170   2.641  11.364
  202    H2     A  19           H2         A  19  48.588   7.875  11.341
  203   1H5*    C  20          1H5*        C  20  41.679   7.520   8.673
  204   2H5*    C  20          2H5*        C  20  41.885   7.667   6.916
  205    H4*    C  20           H4*        C  20  43.467   9.037   8.456
  206    H3*    C  20           H3*        C  20  44.417   7.237   6.189
  207    H2*    C  20           H2*        C  20  46.602   8.049   6.601
  208   2HO*    C  20          2HO*        C  20  46.056   9.987   8.460
  209    H1*    C  20           H1*        C  20  46.302   8.290   9.387
  210   1H4     C  20          1H4         C  20  50.186   3.419   8.104
  211   2H4     C  20          2H4         C  20  48.820   2.335   8.274
  212    H5     C  20           H5         C  20  46.540   3.117   8.528
  213    H6     C  20           H6         C  20  45.092   5.094   8.656
  214   1H5*    U  21          1H5*        U  21  45.610  10.947   4.498
  215   2H5*    U  21          2H5*        U  21  45.688  10.790   2.731
  216    H4*    U  21           H4*        U  21  47.923  10.791   4.069
  217    H3*    U  21           H3*        U  21  47.087   8.912   1.861
  218    H2*    U  21           H2*        U  21  48.757   7.409   2.342
  219   2HO*    U  21          2HO*        U  21  50.791   8.077   2.317
  220    H1*    U  21           H1*        U  21  49.589   8.553   4.902
  221    H3     U  21           H3         U  21  50.433   4.062   5.000
  222    H5     U  21           H5         U  21  46.259   4.433   5.385
  223    H6     U  21           H6         U  21  46.492   6.791   4.847
  224   1H5*    U  22          1H5*        U  22  51.376  10.560   0.873
  225   2H5*    U  22          2H5*        U  22  51.476  10.474  -0.896
  226    H4*    U  22           H4*        U  22  53.315   9.238   0.310
  227    H3*    U  22           H3*        U  22  51.408   7.782  -1.565
  228    H2*    U  22           H2*        U  22  52.726   5.824  -1.251
  229   2HO*    U  22          2HO*        U  22  54.694   7.592  -0.933
  230    H1*    U  22           H1*        U  22  53.066   6.089   1.453
  231    H3     U  22           H3         U  22  50.254   2.567   0.759
  232    H5     U  22           H5         U  22  47.829   5.981   0.339
  233    H6     U  22           H6         U  22  49.842   7.322   0.468
  234   1H5*    U  23          1H5*        U  23  55.258   7.165  -2.630
  235   2H5*    U  23          2H5*        U  23  55.827   8.013  -4.082
  236    H4*    U  23           H4*        U  23  56.917   6.037  -4.451
  237    H3*    U  23           H3*        U  23  54.106   5.685  -5.505
  238    H2*    U  23           H2*        U  23  54.457   3.387  -5.857
  239   2HO*    U  23          2HO*        U  23  57.153   4.174  -5.957
  240    H1*    U  23           H1*        U  23  56.038   2.821  -3.701
  241    H3     U  23           H3         U  23  52.359   0.469  -2.650
  242    H5     U  23           H5         U  23  51.054   4.469  -2.411
  243    H6     U  23           H6         U  23  53.217   5.159  -3.267
  244   1H5*    C  24          1H5*        C  24  56.672   3.990  -8.866
  245   2H5*    C  24          2H5*        C  24  55.746   4.404 -10.322
  246    H4*    C  24           H4*        C  24  56.087   1.932 -10.002
  247    H3*    C  24           H3*        C  24  53.302   3.148 -10.081
  248    H2*    C  24           H2*        C  24  52.376   0.977  -9.878
  249   2HO*    C  24          2HO*        C  24  54.763  -0.442 -10.017
  250    H1*    C  24           H1*        C  24  54.223  -0.047  -8.093
  251   1H4     C  24          1H4         C  24  49.160   1.610  -4.612
  252   2H4     C  24          2H4         C  24  49.558   3.304  -4.791
  253    H5     C  24           H5         C  24  51.379   4.098  -6.146
  254    H6     C  24           H6         C  24  53.225   3.442  -7.619
  255   1H5*    A  25          1H5*        A  25  54.100  -0.103 -12.397
  256   2H5*    A  25          2H5*        A  25  53.141  -0.551 -13.821
  257    H4*    A  25           H4*        A  25  53.138  -2.148 -11.758
  258    H3*    A  25           H3*        A  25  50.730  -1.200 -13.333
  259    H2*    A  25           H2*        A  25  49.279  -2.258 -11.856
  260   2HO*    A  25          2HO*        A  25  50.997  -3.940 -10.539
  261    H1*    A  25           H1*        A  25  50.978  -2.302  -9.564
  262    H8     A  25           H8         A  25  50.221   1.147 -10.701
  263   1H6     A  25          1H6         A  25  44.933   0.786  -7.544
  264   2H6     A  25          2H6         A  25  46.025   1.863  -8.385
  265    H2     A  25           H2         A  25  46.712  -3.332  -7.804
  266   1H5*    G  26          1H5*        G  26  51.673  -5.541 -12.425
  267   2H5*    G  26          2H5*        G  26  51.706  -6.383 -13.986
  268    H4*    G  26           H4*        G  26  50.974  -8.098 -12.622
  269    H3*    G  26           H3*        G  26  48.576  -6.595 -13.683
  270    H2*    G  26           H2*        G  26  47.106  -7.871 -12.319
  271   2HO*    G  26          2HO*        G  26  49.331  -9.618 -12.104
  272    H1*    G  26           H1*        G  26  48.510  -7.818 -10.040
  273    H8     G  26           H8         G  26  49.198  -4.581 -11.605
  274    H1     G  26           H1         G  26  43.328  -4.706  -9.209
  275   1H2     G  26          1H2         G  26  42.767  -6.792  -8.674
  276   2H2     G  26          2H2         G  26  43.849  -8.147  -8.911
  277   1H5*    C  27          1H5*        C  27  47.786 -10.286 -13.168
  278   2H5*    C  27          2H5*        C  27  47.386 -11.329 -14.546
  279    H4*    C  27           H4*        C  27  45.797 -11.868 -12.859
  280    H3*    C  27           H3*        C  27  44.738 -10.070 -15.049
  281    H2*    C  27           H2*        C  27  42.624  -9.925 -13.948
  282   2HO*    C  27          2HO*        C  27  42.816 -11.381 -11.776
  283    H1*    C  27           H1*        C  27  43.511  -9.529 -11.452
  284   1H4     C  27          1H4         C  27  43.255  -3.581 -13.633
  285   2H4     C  27          2H4         C  27  44.765  -3.806 -14.483
  286    H5     C  27           H5         C  27  45.902  -5.919 -14.605
  287    H6     C  27           H6         C  27  45.850  -8.268 -13.961
  288   1H5*    C  28          1H5*        C  28  41.840 -12.172 -14.202
  289   2H5*    C  28          2H5*        C  28  40.955 -13.020 -15.484
  290    H4*    C  28           H4*        C  28  39.378 -11.550 -14.454
  291    H3*    C  28           H3*        C  28  40.475 -10.431 -17.068
  292    H2*    C  28           H2*        C  28  38.905  -8.651 -16.837
  293   2HO*    C  28          2HO*        C  28  37.667 -10.453 -15.040
  294    H1*    C  28           H1*        C  28  39.258  -8.290 -14.121
  295   1H4     C  28          1H4         C  28  42.911  -3.932 -16.962
  296   2H4     C  28          2H4         C  28  44.159  -5.129 -17.228
  297    H5     C  28           H5         C  28  43.878  -7.471 -16.693
  298    H6     C  28           H6         C  28  42.342  -9.151 -15.835
  299   1H5*    C  29          1H5*        C  29  36.461 -10.602 -17.370
  300   2H5*    C  29          2H5*        C  29  35.756 -11.640 -18.626
  301    H4*    C  29           H4*        C  29  34.548  -9.678 -18.944
  302    H3*    C  29           H3*        C  29  37.034  -9.564 -20.695
  303    H2*    C  29           H2*        C  29  36.323  -7.439 -21.474
  304   2HO*    C  29          2HO*        C  29  34.023  -6.923 -20.344
  305    H1*    C  29           H1*        C  29  35.423  -6.456 -19.081
  306   1H4     C  29          1H4         C  29  41.253  -4.038 -19.630
  307   2H4     C  29          2H4         C  29  41.980  -5.628 -19.600
  308    H5     C  29           H5         C  29  40.700  -7.659 -19.480
  309    H6     C  29           H6         C  29  38.447  -8.614 -19.345
  310   1H5*    C  30          1H5*        C  30  33.520  -7.887 -22.614
  311   2H5*    C  30          2H5*        C  30  33.817  -7.786 -24.360
  312    H4*    C  30           H4*        C  30  33.666  -5.572 -23.007
  313    H3*    C  30           H3*        C  30  35.972  -6.244 -24.863
  314    H2*    C  30           H2*        C  30  36.749  -4.060 -24.528
  315   2HO*    C  30          2HO*        C  30  34.072  -3.537 -24.223
  316    H1*    C  30           H1*        C  30  35.910  -3.872 -21.846
  317   1H4     C  30          1H4         C  30  42.244  -4.350 -21.771
  318   2H4     C  30          2H4         C  30  42.158  -6.021 -22.279
  319    H5     C  30           H5         C  30  40.079  -7.124 -22.834
  320    H6     C  30           H6         C  30  37.664  -6.863 -23.028
  321    H3T    C  30           H3T        C  30  34.206  -4.324 -25.612
  Start of MODEL   17
    1   1H5*    G   1          1H5*        G   1  41.119   3.604 -23.169
    2   2H5*    G   1          2H5*        G   1  40.490   5.098 -22.442
    3    H4*    G   1           H4*        G   1  38.513   4.274 -23.256
    4    H3*    G   1           H3*        G   1  38.958   3.176 -20.493
    5    H2*    G   1           H2*        G   1  37.256   1.524 -20.695
    6   2HO*    G   1          2HO*        G   1  35.516   2.443 -21.566
    7    H1*    G   1           H1*        G   1  37.715   0.675 -23.207
    8    H8     G   1           H8         G   1  40.965   1.732 -21.526
    9    H1     G   1           H1         G   1  39.223  -4.249 -20.148
   10   1H2     G   1          1H2         G   1  37.172  -4.634 -20.922
   11   2H2     G   1          2H2         G   1  36.245  -3.421 -21.775
   12    H5T    G   1           H5T        G   1  41.357   4.343 -20.700
   13   1H5*    G   2          1H5*        G   2  35.726   3.202 -19.758
   14   2H5*    G   2          2H5*        G   2  34.992   4.389 -18.661
   15    H4*    G   2           H4*        G   2  34.616   2.505 -17.406
   16    H3*    G   2           H3*        G   2  37.419   3.445 -16.769
   17    H2*    G   2           H2*        G   2  37.914   1.473 -15.675
   18   2HO*    G   2          2HO*        G   2  35.130   1.294 -15.037
   19    H1*    G   2           H1*        G   2  35.759  -0.127 -16.762
   20    H8     G   2           H8         G   2  38.721   1.025 -18.815
   21    H1     G   2           H1         G   2  39.764  -4.472 -15.757
   22   1H2     G   2          1H2         G   2  38.027  -4.923 -14.431
   23   2H2     G   2          2H2         G   2  36.640  -3.869 -14.311
   24   1H5*    G   3          1H5*        G   3  34.570   3.131 -12.883
   25   2H5*    G   3          2H5*        G   3  35.478   3.843 -11.536
   26    H4*    G   3           H4*        G   3  34.617   1.420 -11.263
   27    H3*    G   3           H3*        G   3  37.451   2.364 -10.722
   28    H2*    G   3           H2*        G   3  38.087   0.190 -10.175
   29   2HO*    G   3          2HO*        G   3  36.277  -1.430  -9.849
   30    H1*    G   3           H1*        G   3  36.447  -1.207 -11.916
   31    H8     G   3           H8         G   3  38.360   1.585 -13.541
   32    H1     G   3           H1         G   3  41.846  -3.689 -12.720
   33   1H2     G   3          1H2         G   3  40.757  -5.118 -11.419
   34   2H2     G   3          2H2         G   3  39.175  -4.766 -10.758
   35   1H5*    C   4          1H5*        C   4  35.642  -0.016  -8.217
   36   2H5*    C   4          2H5*        C   4  35.240   0.417  -6.544
   37    H4*    C   4           H4*        C   4  35.801  -1.837  -6.327
   38    H3*    C   4           H3*        C   4  38.264  -0.124  -5.848
   39    H2*    C   4           H2*        C   4  39.517  -2.122  -5.451
   40   2HO*    C   4          2HO*        C   4  37.052  -3.563  -5.623
   41    H1*    C   4           H1*        C   4  38.616  -3.497  -7.588
   42   1H4     C   4          1H4         C   4  43.640  -0.210  -9.741
   43   2H4     C   4          2H4         C   4  42.658   1.225  -9.857
   44    H5     C   4           H5         C   4  40.409   1.341  -9.122
   45    H6     C   4           H6         C   4  38.545   0.131  -8.112
   46   1H5*    U   5          1H5*        U   5  38.023  -2.970  -2.639
   47   2H5*    U   5          2H5*        U   5  39.066  -2.472  -1.293
   48    H4*    U   5           H4*        U   5  39.834  -4.513  -2.643
   49    H3*    U   5           H3*        U   5  41.587  -2.059  -2.199
   50    H2*    U   5           H2*        U   5  43.363  -3.298  -3.229
   51   2HO*    U   5          2HO*        U   5  43.396  -5.432  -3.227
   52    H1*    U   5           H1*        U   5  41.889  -4.214  -5.316
   53    H3     U   5           H3         U   5  44.490  -0.978  -7.109
   54    H5     U   5           H5         U   5  41.532   1.143  -5.019
   55    H6     U   5           H6         U   5  40.741  -0.958  -4.114
   56   1H5*    G   6          1H5*        G   6  43.240  -5.499  -1.298
   57   2H5*    G   6          2H5*        G   6  44.557  -5.699  -0.125
   58    H4*    G   6           H4*        G   6  45.165  -6.244  -2.525
   59    H3*    G   6           H3*        G   6  46.641  -4.132  -0.910
   60    H2*    G   6           H2*        G   6  48.129  -3.850  -2.741
   61   2HO*    G   6          2HO*        G   6  48.021  -5.374  -4.546
   62    H1*    G   6           H1*        G   6  46.257  -4.023  -4.749
   63    H8     G   6           H8         G   6  44.580  -1.826  -2.347
   64    H1     G   6           H1         G   6  49.701   1.073  -4.762
   65   1H2     G   6          1H2         G   6  50.946  -0.392  -5.866
   66   2H2     G   6          2H2         G   6  50.534  -2.086  -5.980
   67   1H5*    U   7          1H5*        U   7  49.207  -5.974  -2.253
   68   2H5*    U   7          2H5*        U   7  50.315  -7.118  -1.470
   69    H4*    U   7           H4*        U   7  51.946  -5.832  -2.395
   70    H3*    U   7           H3*        U   7  51.015  -4.178  -0.018
   71    H2*    U   7           H2*        U   7  52.468  -2.445  -0.701
   72   2HO*    U   7          2HO*        U   7  54.351  -2.969  -1.504
   73    H1*    U   7           H1*        U   7  52.018  -2.613  -3.389
   74    H3     U   7           H3         U   7  50.085   1.304  -2.325
   75    H5     U   7           H5         U   7  47.740  -1.505  -0.287
   76    H6     U   7           H6         U   7  49.265  -3.239  -1.016
   77   1H5*    U   8          1H5*        U   8  55.835  -4.549   0.167
   78   2H5*    U   8          2H5*        U   8  56.048  -4.506   1.928
   79    H4*    U   8           H4*        U   8  57.481  -2.848   0.704
   80    H3*    U   8           H3*        U   8  55.386  -1.893   2.697
   81    H2*    U   8           H2*        U   8  56.205   0.320   2.375
   82   2HO*    U   8          2HO*        U   8  58.135   0.294   0.688
   83    H1*    U   8           H1*        U   8  56.397   0.202  -0.337
   84    H3     U   8           H3         U   8  52.836   2.859   0.610
   85    H5     U   8           H5         U   8  51.417  -1.071   1.192
   86    H6     U   8           H6         U   8  53.691  -1.862   0.893
   87   1H5*    U   9          1H5*        U   9  59.209   0.191   3.281
   88   2H5*    U   9          2H5*        U   9  59.336   0.592   5.004
   89    H4*    U   9           H4*        U   9  59.365   2.539   3.285
   90    H3*    U   9           H3*        U   9  57.552   2.440   5.732
   91    H2*    U   9           H2*        U   9  56.905   4.670   5.202
   92   2HO*    U   9          2HO*        U   9  58.127   5.555   3.186
   93    H1*    U   9           H1*        U   9  56.703   4.279   2.482
   94    H3     U   9           H3         U   9  52.531   5.026   4.249
   95    H5     U   9           H5         U   9  53.300   0.917   4.827
   96    H6     U   9           H6         U   9  55.582   1.312   4.141
   97   1H5*    U  10          1H5*        U  10  60.719   5.603   7.333
   98   2H5*    U  10          2H5*        U  10  60.297   5.566   9.057
   99    H4*    U  10           H4*        U  10  59.814   7.730   7.627
  100    H3*    U  10           H3*        U  10  57.933   6.418   9.632
  101    H2*    U  10           H2*        U  10  56.423   8.207   9.249
  102   2HO*    U  10          2HO*        U  10  57.052  10.120   8.221
  103    H1*    U  10           H1*        U  10  56.799   8.386   6.522
  104    H3     U  10           H3         U  10  52.532   7.088   7.613
  105    H5     U  10           H5         U  10  54.811   3.544   7.537
  106    H6     U  10           H6         U  10  56.810   4.913   7.350
  107   1H5*    U  11          1H5*        U  11  57.550  10.757  10.283
  108   2H5*    U  11          2H5*        U  11  57.876  10.895  12.021
  109    H4*    U  11           H4*        U  11  55.749  12.002  11.413
  110    H3*    U  11           H3*        U  11  55.630   9.524  13.163
  111    H2*    U  11           H2*        U  11  53.293   9.847  13.338
  112   2HO*    U  11          2HO*        U  11  52.313  11.802  13.000
  113    H1*    U  11           H1*        U  11  52.843  10.726  10.757
  114    H3     U  11           H3         U  11  50.548   6.829  11.257
  115    H5     U  11           H5         U  11  54.570   5.653  10.860
  116    H6     U  11           H6         U  11  55.191   7.981  10.927
  117   1H5*    C  12          1H5*        C  12  53.473  12.778  15.505
  118   2H5*    C  12          2H5*        C  12  53.849  12.363  17.189
  119    H4*    C  12           H4*        C  12  51.386  12.434  16.687
  120    H3*    C  12           H3*        C  12  52.700   9.846  17.607
  121    H2*    C  12           H2*        C  12  50.546   8.872  17.698
  122   2HO*    C  12          2HO*        C  12  49.797  11.200  18.537
  123    H1*    C  12           H1*        C  12  49.528  10.110  15.421
  124   1H4     C  12          1H4         C  12  51.094   4.097  14.045
  125   2H4     C  12          2H4         C  12  52.786   4.518  13.992
  126    H5     C  12           H5         C  12  53.609   6.713  14.495
  127    H6     C  12           H6         C  12  52.993   8.967  15.186
  128   1H5*    U  13          1H5*        U  13  50.067   9.041  21.622
  129   2H5*    U  13          2H5*        U  13  51.169   7.669  21.393
  130    H4*    U  13           H4*        U  13  48.433   8.138  20.192
  131    H3*    U  13           H3*        U  13  49.888   5.898  21.634
  132    H2*    U  13           H2*        U  13  48.564   4.356  20.469
  133   2HO*    U  13          2HO*        U  13  46.467   4.991  19.647
  134    H1*    U  13           H1*        U  13  47.956   6.080  18.239
  135    H3     U  13           H3         U  13  48.868   1.607  17.239
  136    H5     U  13           H5         U  13  52.507   3.734  17.051
  137    H6     U  13           H6         U  13  51.389   5.614  18.086
  138   1H5*    C  14          1H5*        C  14  46.209   4.854  21.507
  139   2H5*    C  14          2H5*        C  14  45.482   4.455  23.075
  140    H4*    C  14           H4*        C  14  45.141   2.582  21.623
  141    H3*    C  14           H3*        C  14  47.248   2.253  23.771
  142    H2*    C  14           H2*        C  14  47.796   0.099  22.999
  143   2HO*    C  14          2HO*        C  14  45.158   0.169  22.112
  144    H1*    C  14           H1*        C  14  47.497   0.530  20.287
  145   1H4     C  14          1H4         C  14  53.750   1.026  21.283
  146   2H4     C  14          2H4         C  14  53.526   2.576  22.062
  147    H5     C  14           H5         C  14  51.358   3.540  22.486
  148    H6     C  14           H6         C  14  48.930   3.208  22.251
  149   1H5*    G  15          1H5*        G  15  46.345  -0.774  27.518
  150   2H5*    G  15          2H5*        G  15  47.298   0.493  26.718
  151    H4*    G  15           H4*        G  15  46.960  -2.243  25.469
  152    H3*    G  15           H3*        G  15  48.110  -2.105  27.944
  153    H2*    G  15           H2*        G  15  49.585  -0.273  27.387
  154   2HO*    G  15          2HO*        G  15  51.677  -1.296  27.115
  155    H1*    G  15           H1*        G  15  50.313  -1.764  24.855
  156    H8     G  15           H8         G  15  52.136  -0.306  23.846
  157    H1     G  15           H1         G  15  49.718   5.124  26.154
  158   1H2     G  15          1H2         G  15  47.886   4.702  27.322
  159   2H2     G  15          2H2         G  15  47.260   3.083  27.536
  160   1H5*    C  16          1H5*        C  16  46.793  -5.194  23.015
  161   2H5*    C  16          2H5*        C  16  48.329  -5.631  23.789
  162    H4*    C  16           H4*        C  16  47.777  -3.269  21.958
  163    H3*    C  16           H3*        C  16  48.910  -5.932  21.591
  164    H2*    C  16           H2*        C  16  51.133  -5.333  21.863
  165   2HO*    C  16          2HO*        C  16  50.288  -4.395  19.440
  166    H1*    C  16           H1*        C  16  50.619  -2.396  21.503
  167   1H4     C  16          1H4         C  16  56.072  -2.435  24.798
  168   2H4     C  16          2H4         C  16  55.476  -3.697  25.852
  169    H5     C  16           H5         C  16  53.291  -4.733  25.581
  170    H6     C  16           H6         C  16  51.247  -4.735  24.278
  171   1H5*    U  17          1H5*        U  17  47.199  -4.650  16.791
  172   2H5*    U  17          2H5*        U  17  48.482  -5.240  15.722
  173    H4*    U  17           H4*        U  17  47.885  -2.517  16.550
  174    H3*    U  17           H3*        U  17  49.385  -3.899  14.408
  175    H2*    U  17           H2*        U  17  51.409  -2.872  14.834
  176   2HO*    U  17          2HO*        U  17  50.788  -0.290  14.998
  177    H1*    U  17           H1*        U  17  50.314  -0.920  16.799
  178    H3     U  17           H3         U  17  54.958  -0.703  16.608
  179    H5     U  17           H5         U  17  53.973  -3.978  19.057
  180    H6     U  17           H6         U  17  51.654  -3.746  18.320
  181   1H5*    G  18          1H5*        G  18  45.086  -3.002  13.507
  182   2H5*    G  18          2H5*        G  18  44.689  -2.230  11.957
  183    H4*    G  18           H4*        G  18  43.122  -1.528  13.730
  184    H3*    G  18           H3*        G  18  44.861   0.403  12.269
  185    H2*    G  18           H2*        G  18  44.673   2.171  13.806
  186   2HO*    G  18          2HO*        G  18  42.867   2.522  14.945
  187    H1*    G  18           H1*        G  18  44.598   0.846  16.180
  188    H8     G  18           H8         G  18  47.134  -1.216  14.915
  189    H1     G  18           H1         G  18  49.334   4.745  14.745
  190   1H2     G  18          1H2         G  18  47.666   6.186  14.997
  191   2H2     G  18          2H2         G  18  46.005   5.679  15.208
  192   1H5*    A  19          1H5*        A  19  42.055   2.769  12.906
  193   2H5*    A  19          2H5*        A  19  40.750   2.839  11.705
  194    H4*    A  19           H4*        A  19  40.973   5.094  12.040
  195    H3*    A  19           H3*        A  19  43.069   4.309  10.004
  196    H2*    A  19           H2*        A  19  43.967   6.517  10.027
  197   2HO*    A  19          2HO*        A  19  42.887   8.149  11.369
  198    H1*    A  19           H1*        A  19  44.133   6.769  12.680
  199    H8     A  19           H8         A  19  44.391   3.109  11.748
  200   1H6     A  19          1H6         A  19  50.430   3.979  11.044
  201   2H6     A  19          2H6         A  19  49.149   2.790  11.115
  202    H2     A  19           H2         A  19  48.499   7.996  11.596
  203   1H5*    C  20          1H5*        C  20  41.855   7.999   8.726
  204   2H5*    C  20          2H5*        C  20  42.216   8.202   7.001
  205    H4*    C  20           H4*        C  20  43.705   9.414   8.805
  206    H3*    C  20           H3*        C  20  44.720   7.865   6.390
  207    H2*    C  20           H2*        C  20  46.897   8.586   6.971
  208   2HO*    C  20          2HO*        C  20  47.068  10.289   8.680
  209    H1*    C  20           H1*        C  20  46.492   8.506   9.752
  210   1H4     C  20          1H4         C  20  50.320   3.727   7.993
  211   2H4     C  20          2H4         C  20  48.930   2.662   8.042
  212    H5     C  20           H5         C  20  46.666   3.460   8.359
  213    H6     C  20           H6         C  20  45.256   5.447   8.678
  214   1H5*    U  21          1H5*        U  21  46.302  11.622   5.183
  215   2H5*    U  21          2H5*        U  21  46.411  11.583   3.411
  216    H4*    U  21           H4*        U  21  48.611  11.346   4.795
  217    H3*    U  21           H3*        U  21  47.717   9.670   2.440
  218    H2*    U  21           H2*        U  21  49.346   8.091   2.810
  219   2HO*    U  21          2HO*        U  21  51.344   9.232   4.072
  220    H1*    U  21           H1*        U  21  50.088   8.892   5.506
  221    H3     U  21           H3         U  21  50.543   4.363   5.166
  222    H5     U  21           H5         U  21  46.401   5.056   5.408
  223    H6     U  21           H6         U  21  46.857   7.432   5.131
  224   1H5*    U  22          1H5*        U  22  52.123  11.319   1.372
  225   2H5*    U  22          2H5*        U  22  52.104  11.172  -0.396
  226    H4*    U  22           H4*        U  22  53.969   9.918   0.848
  227    H3*    U  22           H3*        U  22  52.085   8.633  -1.160
  228    H2*    U  22           H2*        U  22  53.232   6.582  -0.884
  229   2HO*    U  22          2HO*        U  22  55.272   6.637   0.421
  230    H1*    U  22           H1*        U  22  53.677   6.753   1.831
  231    H3     U  22           H3         U  22  50.822   3.268   1.273
  232    H5     U  22           H5         U  22  48.410   6.691   0.912
  233    H6     U  22           H6         U  22  50.434   8.016   0.925
  234   1H5*    U  23          1H5*        U  23  56.261   7.759  -2.288
  235   2H5*    U  23          2H5*        U  23  56.500   8.404  -3.924
  236    H4*    U  23           H4*        U  23  57.505   6.276  -4.017
  237    H3*    U  23           H3*        U  23  54.677   6.259  -5.102
  238    H2*    U  23           H2*        U  23  54.792   3.930  -5.450
  239   2HO*    U  23          2HO*        U  23  56.609   2.960  -5.992
  240    H1*    U  23           H1*        U  23  56.210   3.220  -3.233
  241    H3     U  23           H3         U  23  52.219   1.367  -2.302
  242    H5     U  23           H5         U  23  51.444   5.504  -2.098
  243    H6     U  23           H6         U  23  53.698   5.900  -2.902
  244   1H5*    C  24          1H5*        C  24  57.153   4.333  -8.471
  245   2H5*    C  24          2H5*        C  24  56.270   4.830  -9.929
  246    H4*    C  24           H4*        C  24  56.444   2.332  -9.622
  247    H3*    C  24           H3*        C  24  53.763   3.756  -9.771
  248    H2*    C  24           H2*        C  24  52.668   1.659  -9.619
  249   2HO*    C  24          2HO*        C  24  55.123   0.246  -9.807
  250    H1*    C  24           H1*        C  24  54.323   0.517  -7.742
  251   1H4     C  24          1H4         C  24  49.298   2.785  -4.560
  252   2H4     C  24          2H4         C  24  49.916   4.414  -4.701
  253    H5     C  24           H5         C  24  51.896   4.973  -5.940
  254    H6     C  24           H6         C  24  53.726   4.093  -7.310
  255   1H5*    A  25          1H5*        A  25  54.309   0.407 -12.066
  256   2H5*    A  25          2H5*        A  25  53.274   0.070 -13.468
  257    H4*    A  25           H4*        A  25  53.170  -1.484 -11.330
  258    H3*    A  25           H3*        A  25  50.924  -0.467 -13.077
  259    H2*    A  25           H2*        A  25  49.300  -1.277 -11.639
  260   2HO*    A  25          2HO*        A  25  51.244  -3.147 -10.690
  261    H1*    A  25           H1*        A  25  50.809  -1.330  -9.231
  262    H8     A  25           H8         A  25  50.575   2.097 -10.567
  263   1H6     A  25          1H6         A  25  44.982   2.505  -7.980
  264   2H6     A  25          2H6         A  25  46.277   3.410  -8.733
  265    H2     A  25           H2         A  25  46.257  -1.801  -7.926
  266   1H5*    G  26          1H5*        G  26  51.627  -5.475 -12.923
  267   2H5*    G  26          2H5*        G  26  50.382  -6.100 -14.020
  268    H4*    G  26           H4*        G  26  50.583  -7.184 -11.677
  269    H3*    G  26           H3*        G  26  48.011  -6.188 -12.948
  270    H2*    G  26           H2*        G  26  46.814  -6.965 -11.028
  271   2HO*    G  26          2HO*        G  26  48.925  -8.669 -10.857
  272    H1*    G  26           H1*        G  26  48.491  -5.972  -9.164
  273    H8     G  26           H8         G  26  48.747  -3.379 -11.647
  274    H1     G  26           H1         G  26  42.915  -3.281  -9.154
  275   1H2     G  26          1H2         G  26  42.529  -5.137  -8.015
  276   2H2     G  26          2H2         G  26  43.714  -6.418  -7.866
  277   1H5*    C  27          1H5*        C  27  47.569  -9.650 -11.666
  278   2H5*    C  27          2H5*        C  27  47.137 -11.148 -12.516
  279    H4*    C  27           H4*        C  27  45.600 -11.099 -10.748
  280    H3*    C  27           H3*        C  27  44.417  -9.909 -13.272
  281    H2*    C  27           H2*        C  27  42.389  -9.417 -12.093
  282   2HO*    C  27          2HO*        C  27  41.826 -10.427 -10.266
  283    H1*    C  27           H1*        C  27  43.507  -8.325  -9.924
  284   1H4     C  27          1H4         C  27  43.103  -3.388 -13.895
  285   2H4     C  27          2H4         C  27  44.634  -3.833 -14.612
  286    H5     C  27           H5         C  27  45.813  -5.851 -14.053
  287    H6     C  27           H6         C  27  45.795  -7.881 -12.702
  288   1H5*    C  28          1H5*        C  28  41.768 -11.798 -11.930
  289   2H5*    C  28          2H5*        C  28  40.746 -12.988 -12.761
  290    H4*    C  28           H4*        C  28  39.246 -11.255 -12.210
  291    H3*    C  28           H3*        C  28  40.279 -10.868 -15.053
  292    H2*    C  28           H2*        C  28  38.756  -9.046 -15.237
  293   2HO*    C  28          2HO*        C  28  37.099 -10.375 -13.974
  294    H1*    C  28           H1*        C  28  39.213  -8.026 -12.709
  295   1H4     C  28          1H4         C  28  42.709  -4.685 -16.834
  296   2H4     C  28          2H4         C  28  43.967  -5.894 -16.766
  297    H5     C  28           H5         C  28  43.745  -7.969 -15.540
  298    H6     C  28           H6         C  28  42.263  -9.321 -14.165
  299   1H5*    C  29          1H5*        C  29  36.185 -10.975 -16.240
  300   2H5*    C  29          2H5*        C  29  36.033 -12.538 -17.068
  301    H4*    C  29           H4*        C  29  35.191 -11.151 -18.713
  302    H3*    C  29           H3*        C  29  38.210 -11.234 -19.079
  303    H2*    C  29           H2*        C  29  37.999  -9.716 -20.872
  304   2HO*    C  29          2HO*        C  29  35.228 -10.402 -20.854
  305    H1*    C  29           H1*        C  29  35.934  -8.185 -19.849
  306   1H4     C  29          1H4         C  29  41.089  -4.627 -18.892
  307   2H4     C  29          2H4         C  29  41.884  -5.908 -18.009
  308    H5     C  29           H5         C  29  40.895  -8.065 -17.649
  309    H6     C  29           H6         C  29  38.930  -9.470 -18.033
  310   1H5*    C  30          1H5*        C  30  35.899 -11.359 -22.922
  311   2H5*    C  30          2H5*        C  30  37.033 -11.798 -24.214
  312    H4*    C  30           H4*        C  30  36.052  -9.388 -24.201
  313    H3*    C  30           H3*        C  30  39.022  -9.997 -24.382
  314    H2*    C  30           H2*        C  30  39.364  -7.709 -24.796
  315   2HO*    C  30          2HO*        C  30  37.555  -7.609 -26.347
  316    H1*    C  30           H1*        C  30  37.361  -6.818 -23.044
  317   1H4     C  30          1H4         C  30  42.889  -5.756 -20.099
  318   2H4     C  30          2H4         C  30  43.193  -7.474 -19.967
  319    H5     C  30           H5         C  30  41.729  -9.145 -20.901
  320    H6     C  30           H6         C  30  39.674  -9.539 -22.160
  321    H3T    C  30           H3T        C  30  38.301 -10.613 -26.283
  Start of MODEL   18
    1   1H5*    G   1          1H5*        G   1  41.336   5.640 -21.985
    2   2H5*    G   1          2H5*        G   1  41.571   6.157 -20.303
    3    H4*    G   1           H4*        G   1  39.157   5.903 -21.002
    4    H3*    G   1           H3*        G   1  40.450   4.572 -18.644
    5    H2*    G   1           H2*        G   1  38.585   3.160 -18.205
    6   2HO*    G   1          2HO*        G   1  37.242   5.288 -19.149
    7    H1*    G   1           H1*        G   1  37.859   2.526 -20.737
    8    H8     G   1           H8         G   1  41.633   2.808 -20.238
    9    H1     G   1           H1         G   1  39.274  -3.000 -19.066
   10   1H2     G   1          1H2         G   1  37.058  -2.928 -19.125
   11   2H2     G   1          2H2         G   1  36.169  -1.458 -19.449
   12    H5T    G   1           H5T        G   1  42.461   3.956 -21.531
   13   1H5*    G   2          1H5*        G   2  37.269   5.093 -17.298
   14   2H5*    G   2          2H5*        G   2  36.903   5.979 -15.804
   15    H4*    G   2           H4*        G   2  36.273   3.831 -15.189
   16    H3*    G   2           H3*        G   2  39.196   4.236 -14.509
   17    H2*    G   2           H2*        G   2  39.426   2.001 -13.953
   18   2HO*    G   2          2HO*        G   2  36.779   2.346 -13.072
   19    H1*    G   2           H1*        G   2  37.211   0.963 -15.429
   20    H8     G   2           H8         G   2  40.295   2.629 -16.937
   21    H1     G   2           H1         G   2  40.974  -3.636 -15.983
   22   1H2     G   2          1H2         G   2  39.175  -4.431 -14.964
   23   2H2     G   2          2H2         G   2  37.816  -3.424 -14.522
   24   1H5*    G   3          1H5*        G   3  36.094   3.545 -11.136
   25   2H5*    G   3          2H5*        G   3  36.663   3.793  -9.474
   26    H4*    G   3           H4*        G   3  35.506   1.595  -9.823
   27    H3*    G   3           H3*        G   3  38.403   1.732  -8.920
   28    H2*    G   3           H2*        G   3  38.501  -0.616  -8.866
   29   2HO*    G   3          2HO*        G   3  35.716  -0.896  -9.275
   30    H1*    G   3           H1*        G   3  36.978  -1.151 -11.081
   31    H8     G   3           H8         G   3  39.340   1.627 -11.853
   32    H1     G   3           H1         G   3  42.174  -4.077 -11.947
   33   1H2     G   3          1H2         G   3  40.831  -5.610 -11.068
   34   2H2     G   3          2H2         G   3  39.238  -5.220 -10.458
   35   1H5*    C   4          1H5*        C   4  36.199  -1.262  -7.194
   36   2H5*    C   4          2H5*        C   4  36.023  -1.028  -5.443
   37    H4*    C   4           H4*        C   4  36.395  -3.359  -5.725
   38    H3*    C   4           H3*        C   4  38.851  -1.816  -4.854
   39    H2*    C   4           H2*        C   4  40.150  -3.805  -4.895
   40   2HO*    C   4          2HO*        C   4  39.106  -5.490  -4.121
   41    H1*    C   4           H1*        C   4  39.223  -4.819  -7.234
   42   1H4     C   4          1H4         C   4  44.234  -1.277  -8.924
   43   2H4     C   4          2H4         C   4  43.315   0.179  -8.678
   44    H5     C   4           H5         C   4  41.099   0.209  -7.818
   45    H6     C   4           H6         C   4  39.233  -1.142  -6.996
   46   1H5*    U   5          1H5*        U   5  38.838  -5.114  -1.984
   47   2H5*    U   5          2H5*        U   5  39.887  -4.575  -0.657
   48    H4*    U   5           H4*        U   5  40.789  -6.411  -2.254
   49    H3*    U   5           H3*        U   5  42.306  -3.873  -1.531
   50    H2*    U   5           H2*        U   5  44.160  -4.801  -2.711
   51   2HO*    U   5          2HO*        U   5  44.365  -6.934  -3.125
   52    H1*    U   5           H1*        U   5  42.709  -5.776  -4.831
   53    H3     U   5           H3         U   5  45.197  -2.372  -6.490
   54    H5     U   5           H5         U   5  42.082  -0.460  -4.437
   55    H6     U   5           H6         U   5  41.393  -2.620  -3.579
   56   1H5*    G   6          1H5*        G   6  44.680  -7.299  -0.624
   57   2H5*    G   6          2H5*        G   6  46.021  -6.919   0.474
   58    H4*    G   6           H4*        G   6  46.560  -7.532  -2.004
   59    H3*    G   6           H3*        G   6  47.682  -5.116  -0.523
   60    H2*    G   6           H2*        G   6  49.091  -4.786  -2.422
   61   2HO*    G   6          2HO*        G   6  48.830  -7.466  -2.629
   62    H1*    G   6           H1*        G   6  47.161  -5.348  -4.311
   63    H8     G   6           H8         G   6  45.329  -3.190  -2.009
   64    H1     G   6           H1         G   6  50.027   0.099  -4.788
   65   1H2     G   6          1H2         G   6  51.401  -1.292  -5.850
   66   2H2     G   6          2H2         G   6  51.180  -3.027  -5.835
   67   1H5*    U   7          1H5*        U   7  50.451  -6.737  -1.838
   68   2H5*    U   7          2H5*        U   7  51.702  -7.693  -1.019
   69    H4*    U   7           H4*        U   7  53.145  -6.379  -2.189
   70    H3*    U   7           H3*        U   7  52.249  -4.608   0.111
   71    H2*    U   7           H2*        U   7  53.451  -2.806  -0.831
   72   2HO*    U   7          2HO*        U   7  54.628  -4.624  -2.689
   73    H1*    U   7           H1*        U   7  52.800  -3.211  -3.434
   74    H3     U   7           H3         U   7  50.490   0.512  -2.411
   75    H5     U   7           H5         U   7  48.621  -2.445  -0.110
   76    H6     U   7           H6         U   7  50.310  -4.018  -0.844
   77   1H5*    U   8          1H5*        U   8  57.048  -4.392  -0.059
   78   2H5*    U   8          2H5*        U   8  57.382  -4.239   1.677
   79    H4*    U   8           H4*        U   8  58.486  -2.465   0.290
   80    H3*    U   8           H3*        U   8  56.421  -1.699   2.393
   81    H2*    U   8           H2*        U   8  56.915   0.589   1.927
   82   2HO*    U   8          2HO*        U   8  59.241  -0.526   0.820
   83    H1*    U   8           H1*        U   8  56.894   0.366  -0.784
   84    H3     U   8           H3         U   8  53.040   2.493   0.384
   85    H5     U   8           H5         U   8  52.290  -1.593   1.118
   86    H6     U   8           H6         U   8  54.638  -2.029   0.694
   87   1H5*    U   9          1H5*        U   9  59.663   1.022   2.556
   88   2H5*    U   9          2H5*        U   9  59.880   1.550   4.235
   89    H4*    U   9           H4*        U   9  59.253   3.337   2.457
   90    H3*    U   9           H3*        U   9  57.773   2.982   5.097
   91    H2*    U   9           H2*        U   9  56.567   4.944   4.560
   92   2HO*    U   9          2HO*        U   9  58.871   5.679   3.478
   93    H1*    U   9           H1*        U   9  56.420   4.456   1.799
   94    H3     U   9           H3         U   9  52.250   4.814   3.757
   95    H5     U   9           H5         U   9  53.419   0.781   4.147
   96    H6     U   9           H6         U   9  55.632   1.419   3.418
   97   1H5*    U  10          1H5*        U  10  60.187   6.849   6.228
   98   2H5*    U  10          2H5*        U  10  59.952   6.820   7.987
   99    H4*    U  10           H4*        U  10  58.785   8.680   6.507
  100    H3*    U  10           H3*        U  10  57.477   7.111   8.774
  101    H2*    U  10           H2*        U  10  55.587   8.509   8.469
  102   2HO*    U  10          2HO*        U  10  57.112  10.194   6.749
  103    H1*    U  10           H1*        U  10  55.775   8.681   5.687
  104    H3     U  10           H3         U  10  51.765   6.879   6.982
  105    H5     U  10           H5         U  10  54.501   3.680   7.076
  106    H6     U  10           H6         U  10  56.291   5.287   6.717
  107   1H5*    U  11          1H5*        U  11  56.532  11.462   9.244
  108   2H5*    U  11          2H5*        U  11  56.858  11.743  10.966
  109    H4*    U  11           H4*        U  11  54.587  12.518  10.268
  110    H3*    U  11           H3*        U  11  54.881  10.294  12.316
  111    H2*    U  11           H2*        U  11  52.532  10.232  12.523
  112   2HO*    U  11          2HO*        U  11  52.606  12.725  12.504
  113    H1*    U  11           H1*        U  11  51.885  10.755   9.890
  114    H3     U  11           H3         U  11  50.182   6.647  10.731
  115    H5     U  11           H5         U  11  54.342   6.021  10.530
  116    H6     U  11           H6         U  11  54.631   8.413  10.361
  117   1H5*    C  12          1H5*        C  12  52.578  13.612  14.695
  118   2H5*    C  12          2H5*        C  12  52.841  13.057  16.360
  119    H4*    C  12           H4*        C  12  50.410  13.071  15.432
  120    H3*    C  12           H3*        C  12  51.737  10.721  16.843
  121    H2*    C  12           H2*        C  12  49.676   9.579  16.730
  122   2HO*    C  12          2HO*        C  12  48.681  12.059  16.967
  123    H1*    C  12           H1*        C  12  48.924  10.479  14.206
  124   1H4     C  12          1H4         C  12  51.104   4.510  13.790
  125   2H4     C  12          2H4         C  12  52.748   5.091  13.824
  126    H5     C  12           H5         C  12  53.315   7.406  14.127
  127    H6     C  12           H6         C  12  52.438   9.638  14.494
  128   1H5*    U  13          1H5*        U  13  49.988   8.987  20.487
  129   2H5*    U  13          2H5*        U  13  50.643   8.742  18.855
  130    H4*    U  13           H4*        U  13  47.682   8.601  19.022
  131    H3*    U  13           H3*        U  13  49.476   6.696  20.581
  132    H2*    U  13           H2*        U  13  48.153   4.898  19.848
  133   2HO*    U  13          2HO*        U  13  46.118   6.809  19.226
  134    H1*    U  13           H1*        U  13  47.370   6.013  17.363
  135    H3     U  13           H3         U  13  49.182   1.691  17.372
  136    H5     U  13           H5         U  13  52.288   4.412  16.506
  137    H6     U  13           H6         U  13  50.809   6.208  17.147
  138   1H5*    C  14          1H5*        C  14  45.859   5.505  20.987
  139   2H5*    C  14          2H5*        C  14  45.253   5.276  22.640
  140    H4*    C  14           H4*        C  14  44.874   3.236  21.398
  141    H3*    C  14           H3*        C  14  47.067   3.184  23.492
  142    H2*    C  14           H2*        C  14  47.590   0.952  22.950
  143   2HO*    C  14          2HO*        C  14  46.150  -0.426  21.992
  144    H1*    C  14           H1*        C  14  47.212   1.092  20.219
  145   1H4     C  14          1H4         C  14  53.480   1.627  21.130
  146   2H4     C  14          2H4         C  14  53.281   3.281  21.665
  147    H5     C  14           H5         C  14  51.130   4.332  21.937
  148    H6     C  14           H6         C  14  48.706   4.016  21.751
  149   1H5*    G  15          1H5*        G  15  46.130   0.301  27.510
  150   2H5*    G  15          2H5*        G  15  47.141   1.511  26.693
  151    H4*    G  15           H4*        G  15  46.753  -1.290  25.594
  152    H3*    G  15           H3*        G  15  47.967  -0.968  28.019
  153    H2*    G  15           H2*        G  15  49.406   0.836  27.274
  154   2HO*    G  15          2HO*        G  15  51.453  -0.076  27.309
  155    H1*    G  15           H1*        G  15  50.078  -0.874  24.868
  156    H8     G  15           H8         G  15  51.902   0.472  23.702
  157    H1     G  15           H1         G  15  49.552   6.113  25.502
  158   1H2     G  15          1H2         G  15  47.744   5.816  26.747
  159   2H2     G  15          2H2         G  15  47.120   4.228  27.127
  160   1H5*    C  16          1H5*        C  16  46.466  -4.340  23.330
  161   2H5*    C  16          2H5*        C  16  47.957  -4.872  24.134
  162    H4*    C  16           H4*        C  16  47.605  -2.646  22.104
  163    H3*    C  16           H3*        C  16  48.616  -5.371  22.025
  164    H2*    C  16           H2*        C  16  50.847  -4.840  22.433
  165   2HO*    C  16          2HO*        C  16  50.926  -5.012  20.167
  166    H1*    C  16           H1*        C  16  50.471  -1.955  21.661
  167   1H4     C  16          1H4         C  16  55.845  -1.677  25.063
  168   2H4     C  16          2H4         C  16  55.249  -2.869  26.196
  169    H5     C  16           H5         C  16  53.077  -3.934  25.981
  170    H6     C  16           H6         C  16  51.035  -4.039  24.663
  171   1H5*    U  17          1H5*        U  17  47.816  -4.539  16.824
  172   2H5*    U  17          2H5*        U  17  49.370  -5.064  16.151
  173    H4*    U  17           H4*        U  17  48.361  -2.342  16.694
  174    H3*    U  17           H3*        U  17  50.100  -3.711  14.743
  175    H2*    U  17           H2*        U  17  52.021  -2.545  15.262
  176   2HO*    U  17          2HO*        U  17  51.240  -0.001  15.199
  177    H1*    U  17           H1*        U  17  50.654  -0.551  17.006
  178    H3     U  17           H3         U  17  55.284  -0.039  17.152
  179    H5     U  17           H5         U  17  54.284  -3.184  19.761
  180    H6     U  17           H6         U  17  52.028  -3.161  18.813
  181   1H5*    G  18          1H5*        G  18  45.752  -3.255  13.792
  182   2H5*    G  18          2H5*        G  18  45.286  -2.612  12.203
  183    H4*    G  18           H4*        G  18  43.690  -1.944  13.989
  184    H3*    G  18           H3*        G  18  45.187  -0.001  12.298
  185    H2*    G  18           H2*        G  18  44.876   1.874  13.671
  186   2HO*    G  18          2HO*        G  18  42.550   0.491  14.357
  187    H1*    G  18           H1*        G  18  44.974   0.773  16.158
  188    H8     G  18           H8         G  18  47.693  -1.118  15.014
  189    H1     G  18           H1         G  18  49.263   5.013  14.417
  190   1H2     G  18          1H2         G  18  47.444   6.286  14.524
  191   2H2     G  18          2H2         G  18  45.841   5.621  14.751
  192   1H5*    A  19          1H5*        A  19  41.783   1.889  12.602
  193   2H5*    A  19          2H5*        A  19  40.581   1.685  11.311
  194    H4*    A  19           H4*        A  19  40.483   3.974  11.504
  195    H3*    A  19           H3*        A  19  42.745   3.315   9.605
  196    H2*    A  19           H2*        A  19  43.340   5.624   9.467
  197   2HO*    A  19          2HO*        A  19  41.927   7.171   9.868
  198    H1*    A  19           H1*        A  19  43.411   6.080  12.088
  199    H8     A  19           H8         A  19  44.095   2.406  11.457
  200   1H6     A  19          1H6         A  19  50.015   3.898  10.737
  201   2H6     A  19          2H6         A  19  48.876   2.579  10.890
  202    H2     A  19           H2         A  19  47.637   7.700  10.969
  203   1H5*    C  20          1H5*        C  20  41.103   6.564   8.144
  204   2H5*    C  20          2H5*        C  20  41.349   6.828   6.407
  205    H4*    C  20           H4*        C  20  42.716   8.287   8.051
  206    H3*    C  20           H3*        C  20  43.971   6.672   5.793
  207    H2*    C  20           H2*        C  20  46.011   7.764   6.318
  208   2HO*    C  20          2HO*        C  20  45.831   9.837   6.703
  209    H1*    C  20           H1*        C  20  45.590   7.813   9.086
  210   1H4     C  20          1H4         C  20  49.997   3.427   7.681
  211   2H4     C  20          2H4         C  20  48.751   2.205   7.831
  212    H5     C  20           H5         C  20  46.405   2.737   8.098
  213    H6     C  20           H6         C  20  44.756   4.548   8.262
  214   1H5*    U  21          1H5*        U  21  45.178  10.485   4.467
  215   2H5*    U  21          2H5*        U  21  45.327  10.408   2.699
  216    H4*    U  21           H4*        U  21  47.511  10.531   4.096
  217    H3*    U  21           H3*        U  21  46.895   8.591   1.857
  218    H2*    U  21           H2*        U  21  48.796   7.353   2.292
  219   2HO*    U  21          2HO*        U  21  50.530   8.834   3.553
  220    H1*    U  21           H1*        U  21  49.307   8.317   4.968
  221    H3     U  21           H3         U  21  50.313   3.864   4.785
  222    H5     U  21           H5         U  21  46.115   4.082   5.001
  223    H6     U  21           H6         U  21  46.294   6.472   4.616
  224   1H5*    U  22          1H5*        U  22  50.954  10.796   0.724
  225   2H5*    U  22          2H5*        U  22  51.030  10.557  -1.032
  226    H4*    U  22           H4*        U  22  52.983   9.628   0.391
  227    H3*    U  22           H3*        U  22  51.438   8.055  -1.699
  228    H2*    U  22           H2*        U  22  52.850   6.198  -1.292
  229   2HO*    U  22          2HO*        U  22  54.779   7.634  -1.292
  230    H1*    U  22           H1*        U  22  53.100   6.509   1.447
  231    H3     U  22           H3         U  22  50.913   2.580   0.750
  232    H5     U  22           H5         U  22  47.977   5.556   0.296
  233    H6     U  22           H6         U  22  49.754   7.200   0.381
  234   1H5*    U  23          1H5*        U  23  55.818   7.830  -2.835
  235   2H5*    U  23          2H5*        U  23  55.854   8.383  -4.521
  236    H4*    U  23           H4*        U  23  57.119   6.369  -4.504
  237    H3*    U  23           H3*        U  23  54.289   6.035  -5.527
  238    H2*    U  23           H2*        U  23  54.615   3.724  -5.772
  239   2HO*    U  23          2HO*        U  23  57.278   3.481  -5.262
  240    H1*    U  23           H1*        U  23  56.240   3.258  -3.606
  241    H3     U  23           H3         U  23  52.584   0.868  -2.502
  242    H5     U  23           H5         U  23  51.201   4.852  -2.463
  243    H6     U  23           H6         U  23  53.364   5.541  -3.313
  244   1H5*    C  24          1H5*        C  24  57.048   4.050  -8.749
  245   2H5*    C  24          2H5*        C  24  56.108   4.358 -10.223
  246    H4*    C  24           H4*        C  24  56.592   1.913  -9.760
  247    H3*    C  24           H3*        C  24  53.775   3.009 -10.050
  248    H2*    C  24           H2*        C  24  52.904   0.828  -9.759
  249   2HO*    C  24          2HO*        C  24  55.262  -0.589  -9.653
  250    H1*    C  24           H1*        C  24  54.673  -0.029  -7.816
  251   1H4     C  24          1H4         C  24  49.396   1.750  -4.722
  252   2H4     C  24          2H4         C  24  49.781   3.435  -4.986
  253    H5     C  24           H5         C  24  51.659   4.174  -6.288
  254    H6     C  24           H6         C  24  53.589   3.464  -7.618
  255   1H5*    A  25          1H5*        A  25  54.574  -0.551 -12.103
  256   2H5*    A  25          2H5*        A  25  53.511  -0.934 -13.472
  257    H4*    A  25           H4*        A  25  53.491  -2.452 -11.311
  258    H3*    A  25           H3*        A  25  51.136  -1.482 -12.955
  259    H2*    A  25           H2*        A  25  49.634  -2.422 -11.446
  260   2HO*    A  25          2HO*        A  25  51.705  -4.125 -10.467
  261    H1*    A  25           H1*        A  25  51.290  -2.372  -9.131
  262    H8     A  25           H8         A  25  50.728   1.033 -10.477
  263   1H6     A  25          1H6         A  25  45.359   1.108  -7.444
  264   2H6     A  25          2H6         A  25  46.528   2.083  -8.309
  265    H2     A  25           H2         A  25  46.916  -3.106  -7.459
  266   1H5*    G  26          1H5*        G  26  51.976  -6.115 -12.174
  267   2H5*    G  26          2H5*        G  26  51.546  -6.891 -13.711
  268    H4*    G  26           H4*        G  26  50.872  -8.443 -12.055
  269    H3*    G  26           H3*        G  26  48.574  -6.771 -13.105
  270    H2*    G  26           H2*        G  26  47.079  -7.855 -11.606
  271   2HO*    G  26          2HO*        G  26  48.282  -9.642 -10.251
  272    H1*    G  26           H1*        G  26  48.631  -7.814  -9.409
  273    H8     G  26           H8         G  26  49.418  -4.685 -11.111
  274    H1     G  26           H1         G  26  43.633  -4.389  -8.522
  275   1H2     G  26          1H2         G  26  42.979  -6.417  -7.891
  276   2H2     G  26          2H2         G  26  43.974  -7.839  -8.108
  277   1H5*    C  27          1H5*        C  27  47.466 -10.793 -12.714
  278   2H5*    C  27          2H5*        C  27  46.669 -11.460 -14.153
  279    H4*    C  27           H4*        C  27  45.352 -11.936 -12.130
  280    H3*    C  27           H3*        C  27  44.234 -10.052 -14.221
  281    H2*    C  27           H2*        C  27  42.251  -9.768 -12.904
  282   2HO*    C  27          2HO*        C  27  41.756 -11.103 -11.192
  283    H1*    C  27           H1*        C  27  43.459  -9.346 -10.560
  284   1H4     C  27          1H4         C  27  43.334  -3.559 -13.156
  285   2H4     C  27          2H4         C  27  44.843  -3.888 -13.974
  286    H5     C  27           H5         C  27  45.905  -6.045 -13.954
  287    H6     C  27           H6         C  27  45.763  -8.343 -13.162
  288   1H5*    C  28          1H5*        C  28  41.555 -12.073 -13.377
  289   2H5*    C  28          2H5*        C  28  40.435 -13.013 -14.384
  290    H4*    C  28           H4*        C  28  39.031 -11.389 -13.450
  291    H3*    C  28           H3*        C  28  40.072 -10.364 -16.127
  292    H2*    C  28           H2*        C  28  38.649  -8.476 -15.831
  293   2HO*    C  28          2HO*        C  28  37.169  -8.488 -13.949
  294    H1*    C  28           H1*        C  28  39.184  -8.126 -13.145
  295   1H4     C  28          1H4         C  28  42.906  -4.093 -16.353
  296   2H4     C  28          2H4         C  28  44.091  -5.360 -16.588
  297    H5     C  28           H5         C  28  43.722  -7.652 -15.918
  298    H6     C  28           H6         C  28  42.146  -9.212 -14.913
  299   1H5*    C  29          1H5*        C  29  36.130 -10.281 -16.440
  300   2H5*    C  29          2H5*        C  29  35.316 -11.426 -17.525
  301    H4*    C  29           H4*        C  29  34.234  -9.495 -18.162
  302    H3*    C  29           H3*        C  29  36.790  -9.645 -19.802
  303    H2*    C  29           H2*        C  29  36.234  -7.571 -20.797
  304   2HO*    C  29          2HO*        C  29  33.721  -8.444 -20.358
  305    H1*    C  29           H1*        C  29  35.236  -6.332 -18.565
  306   1H4     C  29          1H4         C  29  41.175  -4.168 -18.975
  307   2H4     C  29          2H4         C  29  41.836  -5.775 -18.772
  308    H5     C  29           H5         C  29  40.470  -7.742 -18.559
  309    H6     C  29           H6         C  29  38.179  -8.605 -18.480
  310   1H5*    C  30          1H5*        C  30  33.390  -8.007 -22.070
  311   2H5*    C  30          2H5*        C  30  33.811  -8.079 -23.792
  312    H4*    C  30           H4*        C  30  33.644  -5.745 -22.662
  313    H3*    C  30           H3*        C  30  36.044  -6.658 -24.282
  314    H2*    C  30           H2*        C  30  36.879  -4.474 -24.101
  315   2HO*    C  30          2HO*        C  30  35.611  -2.711 -23.684
  316    H1*    C  30           H1*        C  30  35.934  -4.027 -21.494
  317   1H4     C  30          1H4         C  30  42.208  -4.907 -21.037
  318   2H4     C  30          2H4         C  30  42.042  -6.589 -21.488
  319    H5     C  30           H5         C  30  39.933  -7.586 -22.102
  320    H6     C  30           H6         C  30  37.547  -7.193 -22.424
  321    H3T    C  30           H3T        C  30  33.543  -5.424 -24.744


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