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
4864 1fyi 4646 cing 1-original 2 MR format nomenclature mapping


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    C   1          1H5*        C   1   2.611 -15.748   7.631
    2   2H5*    C   1          2H5*        C   1   3.806 -14.505   7.207
    3    H4*    C   1           H4*        C   1   1.524 -13.812   6.577
    4    H3*    C   1           H3*        C   1   3.375 -12.320   8.139
    5    H1*    C   1           H1*        C   1  -0.522 -12.405   8.806
    6   1H4     C   1          H41         C   1  -1.633 -13.655  14.880
    7   2H4     C   1          H42         C   1  -0.269 -14.732  14.995
    8    H5     C   1           H5         C   1   1.472 -14.798  13.237
    9    H6     C   1           H6         C   1   1.892 -14.261  10.871
   10   1H2*    C   1          1H2*        C   1   2.150 -11.946  10.004
   11   2H2*    C   1          2H2*        C   1   1.151 -10.877   8.990
   12    H5T    C   1           H5T        C   1   3.582 -13.791   9.444
   13   1H5*    A   2          1H5*        A   2  -0.325 -10.236   6.638
   14   2H5*    A   2          2H5*        A   2  -0.114  -8.538   6.160
   15    H4*    A   2           H4*        A   2  -2.156  -8.896   7.529
   16    H3*    A   2           H3*        A   2  -0.146  -6.924   7.928
   17    H1*    A   2           H1*        A   2  -2.132  -8.760  10.756
   18    H8     A   2           H8         A   2   1.769  -9.352  10.599
   19   1H6     A   2          1H6         A   2   1.070 -11.890  16.162
   20   2H6     A   2          2H6         A   2   2.217 -11.442  14.919
   21    H2     A   2           H2         A   2  -2.999 -10.697  14.679
   22   1H2*    A   2          1H2*        A   2   0.495  -7.483  10.037
   23   2H2*    A   2          2H2*        A   2  -1.045  -6.732  10.528
   24   1H5*    G   3          1H5*        G   3  -4.361  -7.649   9.791
   25   2H5*    G   3          2H5*        G   3  -5.168  -6.097   9.498
   26    H4*    G   3           H4*        G   3  -6.338  -7.326  11.229
   27    H3*    G   3           H3*        G   3  -5.383  -4.703  11.523
   28    H1*    G   3           H1*        G   3  -5.226  -7.388  14.440
   29    H8     G   3           H8         G   3  -2.113  -6.442  12.470
   30    H1     G   3           H1         G   3  -0.919  -8.975  18.191
   31   1H2     G   3          H21         G   3  -4.391  -9.077  18.499
   32   2H2     G   3          H22         G   3  -2.835  -9.410  19.227
   33   1H2*    G   3          1H2*        G   3  -3.945  -4.984  13.258
   34   2H2*    G   3          2H2*        G   3  -5.419  -5.116  14.258
   35   1H5*    T   4          1H5*        T   4  -7.943  -6.797  14.920
   36   2H5*    T   4          2H5*        T   4  -9.260  -5.647  15.226
   37    H4*    T   4           H4*        T   4  -8.679  -6.790  17.300
   38    H3*    T   4           H3*        T   4  -8.786  -3.997  16.955
   39   1H2*    T   4          1H2*        T   4  -6.562  -3.514  17.222
   40   2H2*    T   4          2H2*        T   4  -6.906  -3.689  18.943
   41    H1*    T   4           H1*        T   4  -6.005  -5.868  19.131
   42    H3     T   4           H3         T   4  -1.576  -5.945  18.528
   43   1H5M    T   4          H51         T   4  -1.755  -3.174  14.827
   44   2H5M    T   4          H52         T   4  -3.418  -3.421  14.249
   45   3H5M    T   4          H53         T   4  -3.065  -2.117  15.404
   46    H6     T   4           H6         T   4  -5.158  -3.875  16.113
   47   1H5*    G   5          1H5*        G   5  -7.768  -5.867  21.236
   48   2H5*    G   5          2H5*        G   5  -8.776  -4.967  22.386
   49    H4*    G   5           H4*        G   5  -6.658  -5.533  23.435
   50    H3*    G   5           H3*        G   5  -7.637  -2.864  23.126
   51    H1*    G   5           H1*        G   5  -3.906  -4.019  23.114
   52    H8     G   5           H8         G   5  -5.255  -2.445  19.803
   53    H1     G   5           H1         G   5   1.061  -3.189  20.098
   54   1H2     G   5          H21         G   5   0.469  -4.469  23.276
   55   2H2     G   5          H22         G   5   1.642  -4.048  22.047
   56   1H2*    G   5          1H2*        G   5  -5.809  -1.929  22.124
   57   2H2*    G   5          2H2*        G   5  -5.022  -2.104  23.724
   58   1H5*  2AR   6          1H5*      2AR   6  -4.093  -3.987  26.149
   59   2H5*  2AR   6          2H5*      2AR   6  -4.421  -3.066  27.631
   60    H4*  2AR   6           H4*      2AR   6  -2.004  -3.200  27.228
   61   1HX*  2AR   6          1HX*      2AR   6  -1.209  -3.152  25.089
   62   2HX*  2AR   6          2HX*      2AR   6  -2.807  -2.642  24.476
   63    H1*  2AR   6           H1*      2AR   6  -0.450  -0.985  25.303
   64    H2   2AR   6           H2       2AR   6   2.565  -0.118  22.145
   65   1H6   2AR   6          1H6       2AR   6   0.044   0.896  18.577
   66   2H6   2AR   6          2H6       2AR   6  -1.628   0.746  19.072
   67    H8   2AR   6           H8       2AR   6  -3.728  -0.439  23.229
   68   2H2*  2AR   6          2H2*      2AR   6  -1.733   0.706  26.312
   69   1H2*  2AR   6          1H2*      2AR   6  -3.256   0.093  25.617
   70    H3*  2AR   6           H3*      2AR   6  -3.433  -0.844  27.729
   71   1H5*    G   7          1H5*        G   7   1.587  -0.815  26.823
   72   2H5*    G   7          2H5*        G   7   1.900  -0.035  28.386
   73    H4*    G   7           H4*        G   7   3.605   0.714  26.887
   74    H3*    G   7           H3*        G   7   1.738   2.515  28.060
   75    H1*    G   7           H1*        G   7   3.443   2.802  24.614
   76    H8     G   7           H8         G   7  -0.419   2.912  24.383
   77    H1     G   7           H1         G   7   2.516   3.253  18.768
   78   1H2     G   7          H21         G   7   5.442   2.733  20.571
   79   2H2     G   7          H22         G   7   4.691   2.995  19.010
   80   1H2*    G   7          1H2*        G   7   0.866   3.352  26.079
   81   2H2*    G   7          2H2*        G   7   2.378   4.299  26.047
   82   1H5*    T   8          1H5*        T   8   5.517   3.533  25.587
   83   2H5*    T   8          2H5*        T   8   6.437   4.667  26.595
   84    H4*    T   8           H4*        T   8   7.031   5.118  24.343
   85    H3*    T   8           H3*        T   8   5.579   7.060  25.880
   86   1H2*    T   8          1H2*        T   8   4.027   7.621  24.339
   87   2H2*    T   8          2H2*        T   8   5.364   8.305  23.378
   88    H1*    T   8           H1*        T   8   5.497   6.481  21.993
   89    H3     T   8           H3         T   8   1.742   6.072  19.553
   90   1H5M    T   8          H51         T   8   0.059   5.486  24.505
   91   2H5M    T   8          H52         T   8   0.021   7.256  24.325
   92   3H5M    T   8          H53         T   8  -0.991   6.233  23.277
   93    H6     T   8           H6         T   8   2.591   6.262  24.272
   94   1H5*    C   9          1H5*        C   9   7.562   7.185  22.055
   95   2H5*    C   9          2H5*        C   9   8.811   8.440  21.938
   96    H4*    C   9           H4*        C   9   8.012   8.123  19.732
   97    H3*    C   9           H3*        C   9   7.530  10.567  21.135
   98    H1*    C   9           H1*        C   9   5.201   8.883  18.416
   99   1H4     C   9          H41         C   9  -0.228   9.462  22.167
  100   2H4     C   9          H42         C   9  -0.760   9.121  20.533
  101    H5     C   9           H5         C   9   2.133   9.641  22.770
  102    H6     C   9           H6         C   9   4.409   9.379  21.978
  103   1H2*    C   9          1H2*        C   9   5.293  10.751  20.765
  104   2H2*    C   9          2H2*        C   9   5.737  11.051  19.054
  105   1H5*    A  10          1H5*        A  10   8.017  10.133  16.254
  106   2H5*    A  10          2H5*        A  10   9.061  11.542  15.986
  107    H4*    A  10           H4*        A  10   7.845  10.956  13.956
  108    H3*    A  10           H3*        A  10   7.994  13.500  15.047
  109    H1*    A  10           H1*        A  10   4.458  12.081  13.763
  110    H8     A  10           H8         A  10   5.576  11.841  17.384
  111   1H6     A  10          1H6         A  10  -0.421  11.966  18.866
  112   2H6     A  10          2H6         A  10   1.203  11.821  19.500
  113    H2     A  10           H2         A  10  -0.049  12.427  14.413
  114   1H2*    A  10          1H2*        A  10   5.845  13.841  15.701
  115   2H2*    A  10          2H2*        A  10   5.529  14.095  13.962
  116   1H5*    C  11          1H5*        C  11   5.549  12.745  11.119
  117   2H5*    C  11          2H5*        C  11   6.041  13.983   9.944
  118    H4*    C  11           H4*        C  11   3.680  13.397   9.647
  119    H3*    C  11           H3*        C  11   4.659  16.062  10.218
  120    H1*    C  11           H1*        C  11   1.201  14.562  11.548
  121   1H4     C  11          H41         C  11   2.888  16.296  17.733
  122   2H4     C  11          H42         C  11   1.149  16.119  17.705
  123    H5     C  11           H5         C  11   4.277  15.988  15.791
  124    H6     C  11           H6         C  11   4.302  15.453  13.405
  125    H3T    C  11           H3T        C  11   2.504  15.074   8.630
  126   1H2*    C  11          1H2*        C  11   3.089  16.801  11.641
  127   2H2*    C  11          2H2*        C  11   1.836  16.418  10.427
  128   1H5*    G  12          1H5*        G  12  -7.569  18.504  19.698
  129   2H5*    G  12          2H5*        G  12  -8.164  19.614  18.446
  130    H4*    G  12           H4*        G  12  -8.514  17.722  16.915
  131    H3*    G  12           H3*        G  12  -8.077  16.194  19.381
  132    H1*    G  12           H1*        G  12  -5.568  16.286  16.278
  133    H8     G  12           H8         G  12  -5.102  17.332  19.989
  134    H1     G  12           H1         G  12   0.259  15.707  16.956
  135   1H2     G  12          H21         G  12  -0.190  15.110  14.879
  136   2H2     G  12          H22         G  12  -1.811  15.108  14.227
  137   1H2*    G  12          1H2*        G  12  -6.210  15.094  18.828
  138   2H2*    G  12          2H2*        G  12  -6.859  14.700  17.213
  139    H5T    G  12           H5T        G  12  -9.823  17.492  19.050
  140   1H5*    T  13          1H5*        T  13  -8.775  14.735  15.303
  141   2H5*    T  13          2H5*        T  13  -9.691  13.233  15.063
  142    H4*    T  13           H4*        T  13  -7.849  13.516  13.427
  143    H3*    T  13           H3*        T  13  -8.386  11.210  15.027
  144   1H2*    T  13          1H2*        T  13  -6.343  10.871  15.920
  145   2H2*    T  13          2H2*        T  13  -5.810  10.463  14.265
  146    H1*    T  13           H1*        T  13  -4.815  12.505  13.955
  147    H3     T  13           H3         T  13  -1.417  12.777  16.873
  148   1H5M    T  13          H51         T  13  -4.247  12.755  20.532
  149   2H5M    T  13          H52         T  13  -5.702  13.501  19.831
  150   3H5M    T  13          H53         T  13  -5.553  11.729  19.891
  151    H6     T  13           H6         T  13  -6.188  12.552  17.351
  152   1H5*    G  14          1H5*        G  14  -5.812  10.972  11.471
  153   2H5*    G  14          2H5*        G  14  -6.290   9.599  10.451
  154    H4*    G  14           H4*        G  14  -3.877  10.036  10.266
  155    H3*    G  14           H3*        G  14  -5.079   7.544  10.916
  156    H1*    G  14           H1*        G  14  -1.693   8.866  12.432
  157    H8     G  14           H8         G  14  -4.800   8.536  14.745
  158    H1     G  14           H1         G  14   0.784   8.992  17.767
  159   1H2     G  14          H21         G  14   2.150   9.156  14.564
  160   2H2     G  14          H22         G  14   2.433   9.150  16.290
  161   1H2*    G  14          1H2*        G  14  -4.068   7.119  12.901
  162   2H2*    G  14          2H2*        G  14  -2.600   6.823  11.929
  163   1H5*    A  15          1H5*        A  15  -0.511   8.071   9.868
  164   2H5*    A  15          2H5*        A  15  -0.187   6.836   8.637
  165    H4*    A  15           H4*        A  15   1.831   7.201   9.921
  166    H3*    A  15           H3*        A  15   0.486   4.681   9.757
  167    H1*    A  15           H1*        A  15   2.421   6.037  12.927
  168    H8     A  15           H8         A  15  -1.434   5.576  12.975
  169   1H6     A  15          1H6         A  15  -0.916   5.672  19.111
  170   2H6     A  15          2H6         A  15  -2.030   5.566  17.766
  171    H2     A  15           H2         A  15   3.203   6.076  17.356
  172   1H2*    A  15          1H2*        A  15   0.331   4.157  11.941
  173   2H2*    A  15          2H2*        A  15   2.111   4.009  11.920
  174   1H5*    C  16          1H5*        C  16   4.862   5.035  11.016
  175   2H5*    C  16          2H5*        C  16   5.892   3.740  10.373
  176    H4*    C  16           H4*        C  16   6.561   4.359  12.657
  177    H3*    C  16           H3*        C  16   5.978   1.711  11.725
  178    H1*    C  16           H1*        C  16   5.316   3.203  15.308
  179   1H4     C  16          H41         C  16  -1.184   2.238  16.223
  180   2H4     C  16          H42         C  16  -0.452   2.484  17.793
  181    H5     C  16           H5         C  16   0.077   2.244  14.170
  182    H6     C  16           H6         C  16   2.297   2.488  13.192
  183   1H2*    C  16          1H2*        C  16   4.267   1.256  13.243
  184   2H2*    C  16          2H2*        C  16   5.598   1.060  14.413
  185   1H5*  8OG  17          1H5*      8OG  17   8.655   2.166  15.823
  186   2H5*  8OG  17          2H5*      8OG  17   9.858   0.878  15.608
  187    H4*  8OG  17           H4*      8OG  17   9.255   1.094  17.970
  188    H3*  8OG  17           H3*      8OG  17   9.068  -1.308  16.446
  189   1H2*  8OG  17          1H2*      8OG  17   6.884  -1.789  16.798
  190   2H2*  8OG  17          2H2*      8OG  17   7.416  -2.255  18.441
  191    H1*  8OG  17           H1*      8OG  17   6.728  -0.223  19.355
  192    H1   8OG  17           H1       8OG  17   2.123  -1.093  14.052
  193    H7   8OG  17           H7       8OG  17   2.149  -0.134  18.957
  194   1H2   8OG  17          1H2       8OG  17   5.475  -1.299  13.114
  195   2H2   8OG  17          2H2       8OG  17   3.798  -1.392  12.628
  196   1H5*    C  18          1H5*        C  18   9.137  -1.490  21.238
  197   2H5*    C  18          2H5*        C  18  10.140  -2.893  21.663
  198    H4*    C  18           H4*        C  18   8.263  -2.694  23.227
  199    H3*    C  18           H3*        C  18   8.957  -5.002  21.804
  200    H1*    C  18           H1*        C  18   5.332  -3.920  22.490
  201   1H4     C  18          H41         C  18   2.660  -3.492  16.458
  202   2H4     C  18          H42         C  18   1.403  -3.055  17.596
  203    H5     C  18           H5         C  18   4.940  -3.991  17.142
  204    H6     C  18           H6         C  18   6.472  -4.098  18.992
  205   1H2*    C  18          1H2*        C  18   7.185  -5.044  20.393
  206   2H2*    C  18          2H2*        C  18   6.374  -5.850  21.714
  207   1H5*    A  19          1H5*        A  19   5.395  -5.685  25.416
  208   2H5*    A  19          2H5*        A  19   6.169  -7.142  26.073
  209    H4*    A  19           H4*        A  19   3.747  -7.371  26.233
  210    H3*    A  19           H3*        A  19   5.436  -9.185  24.911
  211    H1*    A  19           H1*        A  19   1.916  -8.294  23.696
  212    H8     A  19           H8         A  19   4.870  -7.397  21.376
  213   1H6     A  19          1H6         A  19   0.616  -5.685  17.276
  214   2H6     A  19          2H6         A  19   2.328  -5.886  17.569
  215    H2     A  19           H2         A  19  -1.504  -6.916  21.041
  216   1H2*    A  19          1H2*        A  19   4.646  -9.040  22.814
  217   2H2*    A  19          2H2*        A  19   3.318 -10.056  23.449
  218   1H5*    C  20          1H5*        C  20   1.209 -10.223  26.387
  219   2H5*    C  20          2H5*        C  20   0.933 -11.919  26.834
  220    H4*    C  20           H4*        C  20  -1.084 -10.920  25.837
  221    H3*    C  20           H3*        C  20   0.168 -13.343  25.026
  222    H1*    C  20           H1*        C  20  -1.624 -10.787  22.671
  223   1H4     C  20          H41         C  20   3.272  -9.879  18.292
  224   2H4     C  20          H42         C  20   1.812  -9.239  17.570
  225    H5     C  20           H5         C  20   3.317 -10.867  20.507
  226    H6     C  20           H6         C  20   2.058 -11.310  22.505
  227   1H2*    C  20          1H2*        C  20   0.619 -12.768  22.834
  228   2H2*    C  20          2H2*        C  20  -1.141 -13.050  22.608
  229   1H5*    T  21          1H5*        T  21  -4.086 -12.030  23.949
  230   2H5*    T  21          2H5*        T  21  -5.228 -13.377  24.121
  231    H4*    T  21           H4*        T  21  -5.995 -11.742  22.453
  232    H3*    T  21           H3*        T  21  -5.653 -14.559  22.002
  233   1H2*    T  21          1H2*        T  21  -4.513 -14.489  20.058
  234   2H2*    T  21          2H2*        T  21  -5.991 -13.796  19.328
  235    H1*    T  21           H1*        T  21  -5.147 -11.665  19.384
  236    H3     T  21           H3         T  21  -1.809 -12.055  16.376
  237   1H5M    T  21          H51         T  21  -0.209 -14.698  20.682
  238   2H5M    T  21          H52         T  21   0.954 -14.087  19.480
  239   3H5M    T  21          H53         T  21   0.504 -13.080  20.873
  240    H6     T  21           H6         T  21  -2.361 -13.271  20.974
  241   1H5*    G  22          1H5*        G  22  -8.727 -12.216  19.257
  242   2H5*    G  22          2H5*        G  22 -10.189 -13.224  19.281
  243    H4*    G  22           H4*        G  22  -9.935 -12.164  17.098
  244    H3*    G  22           H3*        G  22 -10.012 -15.039  17.530
  245    H1*    G  22           H1*        G  22  -7.780 -13.176  14.719
  246    H8     G  22           H8         G  22  -6.557 -15.354  17.712
  247    H1     G  22           H1         G  22  -2.403 -14.646  12.934
  248   1H2     G  22          H21         G  22  -4.858 -12.637  11.503
  249   2H2     G  22          H22         G  22  -3.236 -13.289  11.383
  250    H3T    G  22           H3T        G  22 -11.719 -13.630  16.804
  251   1H2*    G  22          1H2*        G  22  -8.482 -15.721  16.010
  252   2H2*    G  22          2H2*        G  22  -9.354 -14.823  14.737
  Start of MODEL    2
    1   1H5*    C   1          1H5*        C   1   2.016 -16.539   6.172
    2   2H5*    C   1          2H5*        C   1   3.067 -15.218   5.620
    3    H4*    C   1           H4*        C   1   0.691 -14.579   5.492
    4    H3*    C   1           H3*        C   1   2.758 -13.121   6.790
    5    H1*    C   1           H1*        C   1  -0.932 -13.447   8.198
    6   1H4     C   1          H41         C   1   0.785 -16.169  13.998
    7   2H4     C   1          H42         C   1  -0.772 -15.403  14.230
    8    H5     C   1           H5         C   1   1.982 -16.111  11.905
    9    H6     C   1           H6         C   1   1.928 -15.308   9.589
   10   1H2*    C   1          1H2*        C   1   1.906 -12.948   8.886
   11   2H2*    C   1          2H2*        C   1   0.691 -11.857   8.172
   12    H5T    C   1           H5T        C   1   3.322 -14.673   7.872
   13   1H5*    A   2          1H5*        A   2  -1.225 -11.284   6.188
   14   2H5*    A   2          2H5*        A   2  -1.276  -9.568   5.736
   15    H4*    A   2           H4*        A   2  -3.002 -10.126   7.412
   16    H3*    A   2           H3*        A   2  -1.093  -8.017   7.583
   17    H1*    A   2           H1*        A   2  -2.497 -10.105  10.575
   18    H8     A   2           H8         A   2   1.325 -10.659   9.734
   19   1H6     A   2          1H6         A   2   1.675 -12.921  15.461
   20   2H6     A   2          2H6         A   2   2.570 -12.584  13.994
   21    H2     A   2           H2         A   2  -2.557 -11.626  14.744
   22   1H2*    A   2          1H2*        A   2  -0.112  -8.586   9.555
   23   2H2*    A   2          2H2*        A   2  -1.617  -7.985  10.299
   24   1H5*    G   3          1H5*        G   3  -4.587  -9.520   9.994
   25   2H5*    G   3          2H5*        G   3  -5.751  -8.202   9.758
   26    H4*    G   3           H4*        G   3  -6.469  -9.680  11.567
   27    H3*    G   3           H3*        G   3  -6.244  -6.892  11.737
   28    H1*    G   3           H1*        G   3  -5.168  -9.286  14.693
   29    H8     G   3           H8         G   3  -2.400  -8.043  12.395
   30    H1     G   3           H1         G   3  -0.574  -9.079  18.407
   31   1H2     G   3          H21         G   3  -3.953  -9.725  18.966
   32   2H2     G   3          H22         G   3  -2.341  -9.621  19.637
   33   1H2*    G   3          1H2*        G   3  -4.617  -6.708  13.319
   34   2H2*    G   3          2H2*        G   3  -5.919  -7.137  14.464
   35   1H5*    T   4          1H5*        T   4  -7.723  -9.076  15.885
   36   2H5*    T   4          2H5*        T   4  -9.252  -8.192  16.064
   37    H4*    T   4           H4*        T   4  -8.316  -8.437  18.259
   38    H3*    T   4           H3*        T   4  -8.811  -5.906  17.063
   39   1H2*    T   4          1H2*        T   4  -6.664  -5.116  17.061
   40   2H2*    T   4          2H2*        T   4  -6.921  -4.838  18.784
   41    H1*    T   4           H1*        T   4  -5.783  -6.798  19.491
   42    H3     T   4           H3         T   4  -1.402  -6.346  18.789
   43   1H5M    T   4          H51         T   4  -3.720  -3.999  14.661
   44   2H5M    T   4          H52         T   4  -2.000  -4.451  14.619
   45   3H5M    T   4          H53         T   4  -3.229  -5.579  14.008
   46    H6     T   4           H6         T   4  -5.239  -5.615  16.012
   47   1H5*    G   5          1H5*        G   5  -7.471  -6.771  21.479
   48   2H5*    G   5          2H5*        G   5  -8.585  -5.847  22.506
   49    H4*    G   5           H4*        G   5  -6.482  -6.106  23.674
   50    H3*    G   5           H3*        G   5  -7.622  -3.574  23.010
   51    H1*    G   5           H1*        G   5  -3.798  -4.414  23.180
   52    H8     G   5           H8         G   5  -5.306  -3.553  19.698
   53    H1     G   5           H1         G   5   1.053  -3.314  20.029
   54   1H2     G   5          H21         G   5   0.605  -4.165  23.377
   55   2H2     G   5          H22         G   5   1.723  -3.776  22.089
   56   1H2*    G   5          1H2*        G   5  -5.854  -2.643  21.925
   57   2H2*    G   5          2H2*        G   5  -5.091  -2.553  23.539
   58   1H5*  2AR   6          1H5*      2AR   6  -4.242  -4.235  26.205
   59   2H5*  2AR   6          2H5*      2AR   6  -4.707  -3.308  27.647
   60    H4*  2AR   6           H4*      2AR   6  -2.267  -3.395  27.460
   61    H1*  2AR   6           H1*      2AR   6  -0.681  -1.091  25.510
   62    H2   2AR   6           H2       2AR   6   2.397  -0.381  22.378
   63   1H6   2AR   6          1H6       2AR   6  -0.044   0.273  18.673
   64   2H6   2AR   6          2H6       2AR   6  -1.724   0.102  19.129
   65    H8   2AR   6           H8       2AR   6  -3.915  -0.828  23.308
   66   2H2*  2AR   6          2H2*      2AR   6  -2.119   0.519  26.422
   67   1H2*  2AR   6          1H2*      2AR   6  -3.567  -0.216  25.685
   68    H3*  2AR   6           H3*      2AR   6  -3.763  -1.085  27.828
   69    HX*  2AR   6           HX*      2AR   6  -1.244  -3.317  25.422
   70   HX**  2AR   6          HX**      2AR   6  -2.818  -2.992  24.643
   71   1H5*    G   7          1H5*        G   7   1.284  -0.985  26.859
   72   2H5*    G   7          2H5*        G   7   1.554  -0.203  28.430
   73    H4*    G   7           H4*        G   7   3.246   0.614  26.940
   74    H3*    G   7           H3*        G   7   1.304   2.317  28.135
   75    H1*    G   7           H1*        G   7   2.957   2.726  24.648
   76    H8     G   7           H8         G   7  -0.906   2.795  24.529
   77    H1     G   7           H1         G   7   1.850   2.887  18.822
   78   1H2     G   7          H21         G   7   4.815   2.336  20.528
   79   2H2     G   7          H22         G   7   4.021   2.544  18.976
   80   1H2*    G   7          1H2*        G   7   0.407   3.190  26.183
   81   2H2*    G   7          2H2*        G   7   1.910   4.155  26.147
   82   1H5*    T   8          1H5*        T   8   5.425   4.206  26.716
   83   2H5*    T   8          2H5*        T   8   5.784   5.674  27.646
   84    H4*    T   8           H4*        T   8   6.396   5.967  25.315
   85    H3*    T   8           H3*        T   8   4.442   7.642  26.654
   86   1H2*    T   8          1H2*        T   8   3.020   7.833  24.908
   87   2H2*    T   8          2H2*        T   8   4.318   8.649  24.002
   88    H1*    T   8           H1*        T   8   4.941   6.725  22.876
   89    H3     T   8           H3         T   8   1.597   5.482  20.095
   90   1H5M    T   8          H51         T   8  -1.596   5.951  23.409
   91   2H5M    T   8          H52         T   8  -0.667   5.466  24.847
   92   3H5M    T   8          H53         T   8  -0.786   7.185  24.403
   93    H6     T   8           H6         T   8   1.815   6.425  24.778
   94   1H5*    C   9          1H5*        C   9   6.955   7.817  23.243
   95   2H5*    C   9          2H5*        C   9   8.021   9.235  23.188
   96    H4*    C   9           H4*        C   9   7.798   8.576  20.945
   97    H3*    C   9           H3*        C   9   6.518  10.981  21.846
   98    H1*    C   9           H1*        C   9   5.348   8.546  18.959
   99   1H4     C   9          H41         C   9  -0.874   7.825  19.485
  100   2H4     C   9          H42         C   9  -0.914   8.737  20.970
  101    H5     C   9           H5         C   9   1.164   9.186  22.274
  102    H6     C   9           H6         C   9   3.565   9.337  22.095
  103   1H2*    C   9          1H2*        C   9   4.487  10.672  20.889
  104   2H2*    C   9          2H2*        C   9   5.327  10.828  19.314
  105   1H5*    A  10          1H5*        A  10   6.841   9.711  17.523
  106   2H5*    A  10          2H5*        A  10   8.189  10.761  17.049
  107    H4*    A  10           H4*        A  10   6.996  10.016  15.082
  108    H3*    A  10           H3*        A  10   7.523  12.689  15.676
  109    H1*    A  10           H1*        A  10   3.940  11.565  14.260
  110    H8     A  10           H8         A  10   4.479  11.699  17.997
  111   1H6     A  10          1H6         A  10  -1.327  13.740  18.445
  112   2H6     A  10          2H6         A  10   0.082  13.228  19.348
  113    H2     A  10           H2         A  10  -0.261  13.448  14.090
  114   1H2*    A  10          1H2*        A  10   5.421  13.508  15.944
  115   2H2*    A  10          2H2*        A  10   5.318  13.394  14.165
  116   1H5*    C  11          1H5*        C  11   5.547  11.585  11.503
  117   2H5*    C  11          2H5*        C  11   6.528  12.439  10.294
  118    H4*    C  11           H4*        C  11   4.193  12.286   9.563
  119    H3*    C  11           H3*        C  11   5.663  14.752   9.908
  120    H1*    C  11           H1*        C  11   1.765  14.318  10.696
  121   1H4     C  11          H41         C  11   2.789  16.828  16.756
  122   2H4     C  11          H42         C  11   1.092  17.037  16.387
  123    H5     C  11           H5         C  11   4.357  15.839  15.221
  124    H6     C  11           H6         C  11   4.640  14.835  13.008
  125    H3T    C  11           H3T        C  11   4.643  15.155   7.884
  126   1H2*    C  11          1H2*        C  11   4.105  16.070  10.840
  127   2H2*    C  11          2H2*        C  11   3.023  15.729   9.461
  128   1H5*    G  12          1H5*        G  12  -7.759  21.587  17.801
  129   2H5*    G  12          2H5*        G  12  -8.885  20.494  18.632
  130    H4*    G  12           H4*        G  12  -8.423  19.699  16.358
  131    H3*    G  12           H3*        G  12  -7.924  18.186  18.779
  132    H1*    G  12           H1*        G  12  -5.678  18.032  15.484
  133    H8     G  12           H8         G  12  -4.552  19.419  18.931
  134    H1     G  12           H1         G  12   0.138  17.101  15.292
  135   1H2     G  12          H21         G  12  -2.410  16.339  13.039
  136   2H2     G  12          H22         G  12  -0.699  16.298  13.399
  137   1H2*    G  12          1H2*        G  12  -5.981  17.200  18.272
  138   2H2*    G  12          2H2*        G  12  -6.724  16.525  16.795
  139    H5T    G  12           H5T        G  12  -6.077  20.263  18.893
  140   1H5*    T  13          1H5*        T  13  -8.488  16.395  14.786
  141   2H5*    T  13          2H5*        T  13  -9.453  14.907  14.695
  142    H4*    T  13           H4*        T  13  -7.520  14.900  13.139
  143    H3*    T  13           H3*        T  13  -8.258  12.851  14.969
  144   1H2*    T  13          1H2*        T  13  -6.325  12.612  16.112
  145   2H2*    T  13          2H2*        T  13  -5.662  11.925  14.602
  146    H1*    T  13           H1*        T  13  -4.537  13.852  14.082
  147    H3     T  13           H3         T  13  -1.432  14.571  17.237
  148   1H5M    T  13          H51         T  13  -4.602  15.166  20.554
  149   2H5M    T  13          H52         T  13  -5.989  15.746  19.603
  150   3H5M    T  13          H53         T  13  -5.833  14.015  19.979
  151    H6     T  13           H6         T  13  -6.229  14.442  17.279
  152   1H5*    G  14          1H5*        G  14  -4.304  12.713  12.011
  153   2H5*    G  14          2H5*        G  14  -5.253  11.570  11.039
  154    H4*    G  14           H4*        G  14  -2.848  11.143  10.784
  155    H3*    G  14           H3*        G  14  -4.803   9.243  11.474
  156    H1*    G  14           H1*        G  14  -1.215   9.304  13.140
  157    H8     G  14           H8         G  14  -4.388   9.996  15.222
  158    H1     G  14           H1         G  14   1.000   9.767  18.606
  159   1H2     G  14          H21         G  14   2.524   9.168  15.530
  160   2H2     G  14          H22         G  14   2.718   9.327  17.263
  161   1H2*    G  14          1H2*        G  14  -4.093   8.638  13.546
  162   2H2*    G  14          2H2*        G  14  -2.823   7.734  12.682
  163   1H5*    A  15          1H5*        A  15  -0.073   9.269  11.268
  164   2H5*    A  15          2H5*        A  15  -0.042   8.323   9.765
  165    H4*    A  15           H4*        A  15   2.133   8.159  10.801
  166    H3*    A  15           H3*        A  15   0.490   5.950  10.226
  167    H1*    A  15           H1*        A  15   2.597   6.167  13.595
  168    H8     A  15           H8         A  15  -1.265   6.663  13.565
  169   1H6     A  15          1H6         A  15  -1.090   5.286  19.525
  170   2H6     A  15          2H6         A  15  -2.107   5.743  18.181
  171    H2     A  15           H2         A  15   3.117   5.053  17.936
  172   1H2*    A  15          1H2*        A  15   0.188   5.046  12.270
  173   2H2*    A  15          2H2*        A  15   1.898   4.545  12.152
  174   1H5*    C  16          1H5*        C  16   4.809   5.551  11.511
  175   2H5*    C  16          2H5*        C  16   5.707   4.406  10.494
  176    H4*    C  16           H4*        C  16   6.629   4.323  12.718
  177    H3*    C  16           H3*        C  16   5.436   2.047  11.407
  178    H1*    C  16           H1*        C  16   5.591   2.898  15.232
  179   1H4     C  16          H41         C  16   0.353   1.848  18.469
  180   2H4     C  16          H42         C  16  -0.699   2.514  17.268
  181    H5     C  16           H5         C  16   0.164   3.026  14.945
  182    H6     C  16           H6         C  16   2.248   3.275  13.652
  183   1H2*    C  16          1H2*        C  16   3.918   1.565  13.085
  184   2H2*    C  16          2H2*        C  16   5.325   0.942  13.963
  185   1H5*  8OG  17          1H5*      8OG  17   8.385   1.853  15.105
  186   2H5*  8OG  17          2H5*      8OG  17   9.517   0.526  14.782
  187    H4*  8OG  17           H4*      8OG  17   9.171   0.811  17.194
  188    H3*  8OG  17           H3*      8OG  17   8.791  -1.624  15.750
  189   1H2*  8OG  17          1H2*      8OG  17   6.655  -2.061  16.377
  190   2H2*  8OG  17          2H2*      8OG  17   7.375  -2.502  17.952
  191    H1*  8OG  17           H1*      8OG  17   6.855  -0.428  18.893
  192    H1   8OG  17           H1       8OG  17   1.530  -1.058  14.267
  193    H7   8OG  17           H7       8OG  17   2.269  -0.476  19.175
  194   1H2   8OG  17          1H2       8OG  17   4.706  -1.089  12.829
  195   2H2   8OG  17          2H2       8OG  17   2.977  -1.183  12.589
  196   1H5*    C  18          1H5*        C  18   9.143  -1.409  20.470
  197   2H5*    C  18          2H5*        C  18  10.176  -2.758  20.988
  198    H4*    C  18           H4*        C  18   8.395  -2.362  22.635
  199    H3*    C  18           H3*        C  18   9.040  -4.823  21.484
  200    H1*    C  18           H1*        C  18   5.422  -3.708  22.173
  201   1H4     C  18          H41         C  18   2.573  -3.949  16.210
  202   2H4     C  18          H42         C  18   1.339  -3.415  17.332
  203    H5     C  18           H5         C  18   4.870  -4.358  16.880
  204    H6     C  18           H6         C  18   6.452  -4.259  18.682
  205   1H2*    C  18          1H2*        C  18   7.220  -5.038  20.150
  206   2H2*    C  18          2H2*        C  18   6.470  -5.698  21.584
  207   1H5*    A  19          1H5*        A  19   5.787  -5.491  25.438
  208   2H5*    A  19          2H5*        A  19   6.666  -6.900  26.066
  209    H4*    A  19           H4*        A  19   4.258  -7.255  26.297
  210    H3*    A  19           H3*        A  19   6.020  -8.992  24.961
  211    H1*    A  19           H1*        A  19   2.427  -8.327  23.845
  212    H8     A  19           H8         A  19   5.213  -7.429  21.337
  213   1H6     A  19          1H6         A  19   0.684  -5.899  17.463
  214   2H6     A  19          2H6         A  19   2.413  -6.094  17.646
  215    H2     A  19           H2         A  19  -1.171  -6.975  21.411
  216   1H2*    A  19          1H2*        A  19   5.173  -8.909  22.880
  217   2H2*    A  19          2H2*        A  19   3.928 -10.004  23.553
  218   1H5*    C  20          1H5*        C  20   1.814 -10.264  26.501
  219   2H5*    C  20          2H5*        C  20   1.663 -11.987  26.899
  220    H4*    C  20           H4*        C  20  -0.425 -11.088  25.940
  221    H3*    C  20           H3*        C  20   0.961 -13.420  25.080
  222    H1*    C  20           H1*        C  20  -1.006 -10.942  22.791
  223   1H4     C  20          H41         C  20   3.733  -9.687  18.331
  224   2H4     C  20          H42         C  20   2.226  -9.107  17.659
  225    H5     C  20           H5         C  20   3.886 -10.708  20.529
  226    H6     C  20           H6         C  20   2.696 -11.261  22.544
  227   1H2*    C  20          1H2*        C  20   1.359 -12.781  22.895
  228   2H2*    C  20          2H2*        C  20  -0.380 -13.167  22.679
  229   1H5*    T  21          1H5*        T  21  -3.163 -12.130  24.030
  230   2H5*    T  21          2H5*        T  21  -4.410 -13.389  24.086
  231    H4*    T  21           H4*        T  21  -4.919 -11.538  22.492
  232    H3*    T  21           H3*        T  21  -5.048 -14.360  21.989
  233   1H2*    T  21          1H2*        T  21  -3.819 -14.443  20.089
  234   2H2*    T  21          2H2*        T  21  -5.174 -13.567  19.319
  235    H1*    T  21           H1*        T  21  -4.088 -11.548  19.437
  236    H3     T  21           H3         T  21  -1.045 -12.653  16.264
  237   1H5M    T  21          H51         T  21   1.430 -13.076  20.834
  238   2H5M    T  21          H52         T  21   0.815 -14.740  20.712
  239   3H5M    T  21          H53         T  21   1.935 -14.111  19.480
  240    H6     T  21           H6         T  21  -1.327 -13.146  21.018
  241   1H5*    G  22          1H5*        G  22  -7.602 -10.982  19.550
  242   2H5*    G  22          2H5*        G  22  -9.194 -11.740  19.755
  243    H4*    G  22           H4*        G  22  -9.191 -10.292  17.786
  244    H3*    G  22           H3*        G  22  -9.933 -13.027  17.813
  245    H1*    G  22           H1*        G  22  -7.600 -11.537  14.835
  246    H8     G  22           H8         G  22  -6.516 -13.903  17.722
  247    H1     G  22           H1         G  22  -2.674 -13.904  12.643
  248   1H2     G  22          H21         G  22  -4.930 -11.603  11.315
  249   2H2     G  22          H22         G  22  -3.461 -12.528  11.091
  250    H3T    G  22           H3T        G  22 -10.507 -10.836  16.076
  251   1H2*    G  22          1H2*        G  22  -8.618 -13.923  16.197
  252   2H2*    G  22          2H2*        G  22  -9.443 -12.854  15.028
  Start of MODEL    3
    1   1H5*    C   1          1H5*        C   1   3.048 -16.981   8.365
    2   2H5*    C   1          2H5*        C   1   2.212 -18.110   7.280
    3    H4*    C   1           H4*        C   1   0.879 -16.250   6.360
    4    H3*    C   1           H3*        C   1   2.908 -14.638   7.550
    5    H1*    C   1           H1*        C   1  -0.828 -14.860   8.847
    6   1H4     C   1          H41         C   1   0.693 -16.842  15.005
    7   2H4     C   1          H42         C   1  -0.894 -16.102  15.091
    8    H5     C   1           H5         C   1   1.981 -16.982  12.968
    9    H6     C   1           H6         C   1   2.011 -16.456  10.574
   10   1H2*    C   1          1H2*        C   1   1.973 -14.212   9.572
   11   2H2*    C   1          2H2*        C   1   0.766 -13.246   8.683
   12    H5T    C   1           H5T        C   1   3.057 -16.848   5.526
   13   1H5*    A   2          1H5*        A   2  -0.908 -12.530   6.200
   14   2H5*    A   2          2H5*        A   2  -0.694 -10.864   5.627
   15    H4*    A   2           H4*        A   2  -2.621 -11.079   7.165
   16    H3*    A   2           H3*        A   2  -0.482  -9.199   7.359
   17    H1*    A   2           H1*        A   2  -2.378 -10.857  10.367
   18    H8     A   2           H8         A   2   1.477 -11.612   9.950
   19   1H6     A   2          1H6         A   2   1.119 -13.817  15.690
   20   2H6     A   2          2H6         A   2   2.182 -13.491  14.338
   21    H2     A   2           H2         A   2  -2.996 -12.507  14.460
   22   1H2*    A   2          1H2*        A   2   0.224  -9.660   9.464
   23   2H2*    A   2          2H2*        A   2  -1.283  -8.865   9.989
   24   1H5*    G   3          1H5*        G   3  -4.213  -9.686   9.660
   25   2H5*    G   3          2H5*        G   3  -5.208  -8.280   9.234
   26    H4*    G   3           H4*        G   3  -6.072  -9.381  11.230
   27    H3*    G   3           H3*        G   3  -5.458  -6.640  11.026
   28    H1*    G   3           H1*        G   3  -4.813  -8.791  14.276
   29    H8     G   3           H8         G   3  -1.848  -8.077  12.005
   30    H1     G   3           H1         G   3  -0.357  -8.720  18.164
   31   1H2     G   3          H21         G   3  -3.800  -9.002  18.613
   32   2H2     G   3          H22         G   3  -2.214  -8.982  19.349
   33   1H2*    G   3          1H2*        G   3  -3.892  -6.465  12.661
   34   2H2*    G   3          2H2*        G   3  -5.274  -6.602  13.785
   35   1H5*    T   4          1H5*        T   4  -7.268  -8.490  15.091
   36   2H5*    T   4          2H5*        T   4  -8.787  -7.570  15.128
   37    H4*    T   4           H4*        T   4  -8.105  -7.990  17.408
   38    H3*    T   4           H3*        T   4  -8.571  -5.424  16.344
   39   1H2*    T   4          1H2*        T   4  -6.432  -4.606  16.454
   40   2H2*    T   4          2H2*        T   4  -6.800  -4.352  18.159
   41    H1*    T   4           H1*        T   4  -5.648  -6.279  18.922
   42    H3     T   4           H3         T   4  -1.237  -5.818  18.406
   43   1H5M    T   4          H51         T   4  -3.315  -3.418  14.220
   44   2H5M    T   4          H52         T   4  -1.641  -4.018  14.174
   45   3H5M    T   4          H53         T   4  -2.965  -5.028  13.553
   46    H6     T   4           H6         T   4  -4.957  -5.086  15.475
   47   1H5*    G   5          1H5*        G   5  -7.546  -6.357  20.914
   48   2H5*    G   5          2H5*        G   5  -8.744  -5.426  21.837
   49    H4*    G   5           H4*        G   5  -6.724  -5.670  23.160
   50    H3*    G   5           H3*        G   5  -7.866  -3.162  22.429
   51    H1*    G   5           H1*        G   5  -4.034  -3.908  22.838
   52    H8     G   5           H8         G   5  -5.369  -3.036  19.287
   53    H1     G   5           H1         G   5   0.969  -2.874  19.902
   54   1H2     G   5          H21         G   5   0.367  -3.704  23.231
   55   2H2     G   5          H22         G   5   1.545  -3.331  21.991
   56   1H2*    G   5          1H2*        G   5  -6.053  -2.182  21.467
   57   2H2*    G   5          2H2*        G   5  -5.398  -2.088  23.130
   58   1H5*  2AR   6          1H5*      2AR   6  -4.792  -3.759  25.899
   59   2H5*  2AR   6          2H5*      2AR   6  -5.297  -2.794  27.301
   60    H4*  2AR   6           H4*      2AR   6  -2.846  -2.934  27.187
   61    H1*  2AR   6           H1*      2AR   6  -1.143  -0.691  25.325
   62    H2   2AR   6           H2       2AR   6   2.096   0.058  22.358
   63   1H6   2AR   6          1H6       2AR   6  -0.158   0.771  18.547
   64   2H6   2AR   6          2H6       2AR   6  -1.859   0.606  18.920
   65    H8   2AR   6           H8       2AR   6  -4.257  -0.329  22.975
   66   2H2*  2AR   6          2H2*      2AR   6  -2.572   0.969  26.170
   67   1H2*  2AR   6          1H2*      2AR   6  -4.005   0.278  25.368
   68    H3*  2AR   6           H3*      2AR   6  -4.326  -0.594  27.494
   69    HX*  2AR   6           HX*      2AR   6  -1.780  -2.894  25.169
   70   HX**  2AR   6          HX**      2AR   6  -3.317  -2.498  24.353
   71   1H5*    G   7          1H5*        G   7   0.595  -0.696  26.590
   72   2H5*    G   7          2H5*        G   7   0.944  -0.010  28.189
   73    H4*    G   7           H4*        G   7   2.716   0.688  26.743
   74    H3*    G   7           H3*        G   7   0.959   2.542  27.986
   75    H1*    G   7           H1*        G   7   2.669   2.904  24.538
   76    H8     G   7           H8         G   7  -1.184   3.191  24.344
   77    H1     G   7           H1         G   7   1.736   3.690  18.735
   78   1H2     G   7          H21         G   7   4.632   2.887  20.476
   79   2H2     G   7          H22         G   7   3.896   3.251  18.926
   80   1H2*    G   7          1H2*        G   7   0.130   3.509  26.045
   81   2H2*    G   7          2H2*        G   7   1.687   4.375  26.052
   82   1H5*    T   8          1H5*        T   8   4.770   3.403  25.598
   83   2H5*    T   8          2H5*        T   8   5.783   4.416  26.645
   84    H4*    T   8           H4*        T   8   6.436   4.908  24.428
   85    H3*    T   8           H3*        T   8   5.083   6.898  25.999
   86   1H2*    T   8          1H2*        T   8   3.614   7.615  24.445
   87   2H2*    T   8          2H2*        T   8   5.017   8.224  23.529
   88    H1*    T   8           H1*        T   8   5.042   6.433  22.095
   89    H3     T   8           H3         T   8   1.314   6.394  19.585
   90   1H5M    T   8          H51         T   8  -0.423   7.491  24.372
   91   2H5M    T   8          H52         T   8  -1.473   6.572  23.268
   92   3H5M    T   8          H53         T   8  -0.491   5.717  24.482
   93    H6     T   8           H6         T   8   2.081   6.332  24.318
   94   1H5*    C   9          1H5*        C   9   7.156   6.987  22.276
   95   2H5*    C   9          2H5*        C   9   8.502   8.142  22.186
   96    H4*    C   9           H4*        C   9   7.708   7.902  19.966
   97    H3*    C   9           H3*        C   9   7.409  10.365  21.384
   98    H1*    C   9           H1*        C   9   4.981   8.898  18.627
   99   1H4     C   9          H41         C   9  -0.432   9.867  22.319
  100   2H4     C   9          H42         C   9  -0.967   9.590  20.673
  101    H5     C   9           H5         C   9   1.926   9.845  22.953
  102    H6     C   9           H6         C   9   4.183   9.403  22.188
  103   1H2*    C   9          1H2*        C   9   5.193  10.725  21.002
  104   2H2*    C   9          2H2*        C   9   5.672  11.012  19.298
  105   1H5*    A  10          1H5*        A  10   8.067   9.961  16.513
  106   2H5*    A  10          2H5*        A  10   9.192  11.314  16.294
  107    H4*    A  10           H4*        A  10   8.019  10.803  14.215
  108    H3*    A  10           H3*        A  10   8.267  13.328  15.336
  109    H1*    A  10           H1*        A  10   4.703  12.114  13.920
  110    H8     A  10           H8         A  10   5.696  11.785  17.573
  111   1H6     A  10          1H6         A  10  -0.315  12.292  18.890
  112   2H6     A  10          2H6         A  10   1.279  12.036  19.564
  113    H2     A  10           H2         A  10   0.205  12.757  14.451
  114   1H2*    A  10          1H2*        A  10   6.120  13.797  15.901
  115   2H2*    A  10          2H2*        A  10   5.883  14.062  14.150
  116   1H5*    C  11          1H5*        C  11   6.003  12.997  11.161
  117   2H5*    C  11          2H5*        C  11   6.649  14.306  10.152
  118    H4*    C  11           H4*        C  11   4.263  13.989   9.716
  119    H3*    C  11           H3*        C  11   5.426  16.472  10.699
  120    H1*    C  11           H1*        C  11   1.790  15.079  11.544
  121   1H4     C  11          H41         C  11   2.942  16.059  18.008
  122   2H4     C  11          H42         C  11   1.208  15.980  17.796
  123    H5     C  11           H5         C  11   4.501  15.886  16.183
  124    H6     C  11           H6         C  11   4.739  15.594  13.767
  125    H3T    C  11           H3T        C  11   4.176  17.254   8.943
  126   1H2*    C  11          1H2*        C  11   3.777  17.177  12.047
  127   2H2*    C  11          2H2*        C  11   2.614  17.007  10.702
  128   1H5*    G  12          1H5*        G  12  -7.601  19.848  20.604
  129   2H5*    G  12          2H5*        G  12  -8.668  18.550  21.178
  130    H4*    G  12           H4*        G  12  -8.287  18.366  18.758
  131    H3*    G  12           H3*        G  12  -7.693  16.307  20.703
  132    H1*    G  12           H1*        G  12  -5.555  17.023  17.410
  133    H8     G  12           H8         G  12  -4.303  17.572  21.045
  134    H1     G  12           H1         G  12   0.265  16.349  16.774
  135   1H2     G  12          H21         G  12  -2.366  16.065  14.504
  136   2H2     G  12          H22         G  12  -0.640  15.995  14.776
  137   1H2*    G  12          1H2*        G  12  -5.732  15.549  19.937
  138   2H2*    G  12          2H2*        G  12  -6.500  15.210  18.363
  139    H5T    G  12           H5T        G  12  -5.845  18.361  21.271
  140   1H5*    T  13          1H5*        T  13  -8.188  15.733  16.414
  141   2H5*    T  13          2H5*        T  13  -9.185  14.366  15.880
  142    H4*    T  13           H4*        T  13  -7.296  14.805  14.349
  143    H3*    T  13           H3*        T  13  -7.981  12.295  15.528
  144   1H2*    T  13          1H2*        T  13  -5.983  11.726  16.413
  145   2H2*    T  13          2H2*        T  13  -5.422  11.544  14.726
  146    H1*    T  13           H1*        T  13  -4.330  13.561  14.747
  147    H3     T  13           H3         T  13  -0.968  13.102  17.677
  148   1H5M    T  13          H51         T  13  -5.186  13.847  20.705
  149   2H5M    T  13          H52         T  13  -5.245  12.079  20.520
  150   3H5M    T  13          H53         T  13  -3.839  12.847  21.294
  151    H6     T  13           H6         T  13  -5.745  13.241  18.113
  152   1H5*    G  14          1H5*        G  14  -5.507  12.065  11.619
  153   2H5*    G  14          2H5*        G  14  -6.238  10.790  10.622
  154    H4*    G  14           H4*        G  14  -3.792  10.824  10.363
  155    H3*    G  14           H3*        G  14  -5.371   8.567  11.028
  156    H1*    G  14           H1*        G  14  -1.793   9.276  12.537
  157    H8     G  14           H8         G  14  -4.929   9.374  14.829
  158    H1     G  14           H1         G  14   0.649   9.314  17.893
  159   1H2     G  14          H21         G  14   2.049   9.294  14.700
  160   2H2     G  14          H22         G  14   2.317   9.284  16.429
  161   1H2*    G  14          1H2*        G  14  -4.443   7.991  13.017
  162   2H2*    G  14          2H2*        G  14  -3.056   7.430  12.044
  163   1H5*    A  15          1H5*        A  15  -0.747   8.585  10.120
  164   2H5*    A  15          2H5*        A  15  -0.625   7.414   8.791
  165    H4*    A  15           H4*        A  15   1.481   7.420   9.943
  166    H3*    A  15           H3*        A  15  -0.180   5.116   9.783
  167    H1*    A  15           H1*        A  15   2.043   6.056  12.931
  168    H8     A  15           H8         A  15  -1.845   6.102  13.090
  169   1H6     A  15          1H6         A  15  -1.168   6.251  19.195
  170   2H6     A  15          2H6         A  15  -2.314   6.254  17.874
  171    H2     A  15           H2         A  15   2.932   6.135  17.345
  172   1H2*    A  15          1H2*        A  15  -0.351   4.567  11.965
  173   2H2*    A  15          2H2*        A  15   1.380   4.137  11.875
  174   1H5*    C  16          1H5*        C  16   4.093   5.314  11.025
  175   2H5*    C  16          2H5*        C  16   5.096   4.136  10.152
  176    H4*    C  16           H4*        C  16   6.125   4.558  12.289
  177    H3*    C  16           H3*        C  16   5.210   1.965  11.447
  178    H1*    C  16           H1*        C  16   5.356   3.440  15.081
  179   1H4     C  16          H41         C  16   0.306   2.352  18.622
  180   2H4     C  16          H42         C  16  -0.810   2.763  17.363
  181    H5     C  16           H5         C  16  -0.043   2.932  14.982
  182    H6     C  16           H6         C  16   1.972   3.223  13.599
  183   1H2*    C  16          1H2*        C  16   3.803   1.596  13.245
  184   2H2*    C  16          2H2*        C  16   5.298   1.289  14.142
  185   1H5*  8OG  17          1H5*      8OG  17   8.239   2.394  15.181
  186   2H5*  8OG  17          2H5*      8OG  17   9.433   1.115  14.882
  187    H4*  8OG  17           H4*      8OG  17   9.065   1.387  17.285
  188    H3*  8OG  17           H3*      8OG  17   8.758  -1.060  15.853
  189   1H2*  8OG  17          1H2*      8OG  17   6.617  -1.535  16.440
  190   2H2*  8OG  17          2H2*      8OG  17   7.321  -1.969  18.025
  191    H1*  8OG  17           H1*      8OG  17   6.743   0.090  18.966
  192    H1   8OG  17           H1       8OG  17   1.532  -0.831  14.267
  193    H7   8OG  17           H7       8OG  17   2.147   0.064  19.147
  194   1H2   8OG  17          1H2       8OG  17   4.746  -0.967  12.919
  195   2H2   8OG  17          2H2       8OG  17   3.022  -1.080  12.640
  196   1H5*    C  18          1H5*        C  18   9.005  -0.898  20.585
  197   2H5*    C  18          2H5*        C  18  10.068  -2.225  21.097
  198    H4*    C  18           H4*        C  18   8.243  -1.931  22.712
  199    H3*    C  18           H3*        C  18   8.979  -4.339  21.503
  200    H1*    C  18           H1*        C  18   5.315  -3.339  22.150
  201   1H4     C  18          H41         C  18   2.625  -3.494  16.109
  202   2H4     C  18          H42         C  18   1.353  -3.007  17.208
  203    H5     C  18           H5         C  18   4.909  -3.874  16.832
  204    H6     C  18           H6         C  18   6.440  -3.787  18.673
  205   1H2*    C  18          1H2*        C  18   7.188  -4.580  20.140
  206   2H2*    C  18          2H2*        C  18   6.430  -5.285  21.546
  207   1H5*    A  19          1H5*        A  19   5.800  -5.030  25.274
  208   2H5*    A  19          2H5*        A  19   6.518  -6.469  26.026
  209    H4*    A  19           H4*        A  19   4.079  -6.623  26.093
  210    H3*    A  19           H3*        A  19   5.787  -8.557  24.950
  211    H1*    A  19           H1*        A  19   2.315  -7.670  23.640
  212    H8     A  19           H8         A  19   5.250  -7.161  21.192
  213   1H6     A  19          1H6         A  19   0.981  -5.616  17.034
  214   2H6     A  19          2H6         A  19   2.684  -5.917  17.298
  215    H2     A  19           H2         A  19  -1.085  -6.259  20.968
  216   1H2*    A  19          1H2*        A  19   5.036  -8.541  22.829
  217   2H2*    A  19          2H2*        A  19   3.674  -9.486  23.504
  218   1H5*    C  20          1H5*        C  20   1.503  -9.390  26.481
  219   2H5*    C  20          2H5*        C  20   1.164 -11.055  26.992
  220    H4*    C  20           H4*        C  20  -0.810  -9.978  25.955
  221    H3*    C  20           H3*        C  20   0.253 -12.528  25.339
  222    H1*    C  20           H1*        C  20  -1.307 -10.063  22.737
  223   1H4     C  20          H41         C  20   3.750  -9.722  18.465
  224   2H4     C  20          H42         C  20   2.359  -9.014  17.673
  225    H5     C  20           H5         C  20   3.674 -10.584  20.733
  226    H6     C  20           H6         C  20   2.335 -10.838  22.712
  227   1H2*    C  20          1H2*        C  20   0.823 -12.135  23.128
  228   2H2*    C  20          2H2*        C  20  -0.941 -12.342  22.863
  229   1H5*    T  21          1H5*        T  21  -3.399 -10.653  23.819
  230   2H5*    T  21          2H5*        T  21  -4.874 -11.612  24.047
  231    H4*    T  21           H4*        T  21  -5.053  -9.975  22.182
  232    H3*    T  21           H3*        T  21  -5.695 -12.763  22.107
  233   1H2*    T  21          1H2*        T  21  -4.468 -13.380  20.307
  234   2H2*    T  21          2H2*        T  21  -5.636 -12.425  19.347
  235    H1*    T  21           H1*        T  21  -4.210 -10.641  19.165
  236    H3     T  21           H3         T  21  -1.475 -12.977  16.368
  237   1H5M    T  21          H51         T  21   1.007 -12.616  20.951
  238   2H5M    T  21          H52         T  21   0.184 -14.174  21.200
  239   3H5M    T  21          H53         T  21   1.359 -13.988  19.876
  240    H6     T  21           H6         T  21  -1.700 -12.240  21.096
  241   1H5*    G  22          1H5*        G  22  -7.226 -10.107  18.223
  242   2H5*    G  22          2H5*        G  22  -8.945 -10.438  18.519
  243    H4*    G  22           H4*        G  22  -8.580 -10.316  16.132
  244    H3*    G  22           H3*        G  22  -9.587 -12.645  17.472
  245    H1*    G  22           H1*        G  22  -6.954 -12.865  14.392
  246    H8     G  22           H8         G  22  -6.348 -13.776  18.123
  247    H1     G  22           H1         G  22  -2.279 -16.425  14.010
  248   1H2     G  22          H21         G  22  -2.722 -15.845  12.013
  249   2H2     G  22          H22         G  22  -3.924 -14.670  11.576
  250    H3T    G  22           H3T        G  22 -10.675 -11.134  16.045
  251   1H2*    G  22          1H2*        G  22  -8.344 -14.292  16.545
  252   2H2*    G  22          2H2*        G  22  -8.954 -13.800  14.940
  Start of MODEL    4
    1   1H5*    C   1          1H5*        C   1   1.719 -15.919   6.917
    2   2H5*    C   1          2H5*        C   1   2.964 -14.742   6.448
    3    H4*    C   1           H4*        C   1   0.688 -13.820   6.176
    4    H3*    C   1           H3*        C   1   2.839 -12.631   7.653
    5    H1*    C   1           H1*        C   1  -0.985 -12.437   8.595
    6   1H4     C   1          H41         C   1  -1.802 -13.775  14.695
    7   2H4     C   1          H42         C   1  -0.510 -14.944  14.700
    8    H5     C   1           H5         C   1   1.112 -15.078  12.835
    9    H6     C   1           H6         C   1   1.420 -14.511  10.460
   10   1H2*    C   1          1H2*        C   1   1.794 -12.217   9.613
   11   2H2*    C   1          2H2*        C   1   0.805 -11.035   8.718
   12    H5T    C   1           H5T        C   1   2.108 -15.358   9.088
   13   1H5*    A   2          1H5*        A   2  -0.732 -10.250   6.446
   14   2H5*    A   2          2H5*        A   2  -0.493  -8.543   6.022
   15    H4*    A   2           H4*        A   2  -2.485  -8.913   7.470
   16    H3*    A   2           H3*        A   2  -0.421  -6.988   7.826
   17    H1*    A   2           H1*        A   2  -2.302  -8.872  10.703
   18    H8     A   2           H8         A   2   1.564  -9.557  10.285
   19   1H6     A   2          1H6         A   2   1.169 -12.148  15.854
   20   2H6     A   2          2H6         A   2   2.239 -11.723  14.536
   21    H2     A   2           H2         A   2  -2.951 -10.794  14.675
   22   1H2*    A   2          1H2*        A   2   0.297  -7.598   9.894
   23   2H2*    A   2          2H2*        A   2  -1.214  -6.849  10.470
   24   1H5*    G   3          1H5*        G   3  -4.383  -7.968   9.861
   25   2H5*    G   3          2H5*        G   3  -5.316  -6.485   9.588
   26    H4*    G   3           H4*        G   3  -6.372  -7.812  11.318
   27    H3*    G   3           H3*        G   3  -5.619  -5.129  11.626
   28    H1*    G   3           H1*        G   3  -5.204  -7.807  14.519
   29    H8     G   3           H8         G   3  -2.188  -6.686  12.483
   30    H1     G   3           H1         G   3  -0.755  -9.011  18.238
   31   1H2     G   3          H21         G   3  -4.207  -9.334  18.599
   32   2H2     G   3          H22         G   3  -2.624  -9.549  19.311
   33   1H2*    G   3          1H2*        G   3  -4.122  -5.314  13.322
   34   2H2*    G   3          2H2*        G   3  -5.560  -5.554  14.354
   35   1H5*    T   4          1H5*        T   4  -7.941  -7.389  15.113
   36   2H5*    T   4          2H5*        T   4  -9.331  -6.327  15.418
   37    H4*    T   4           H4*        T   4  -8.641  -7.360  17.510
   38    H3*    T   4           H3*        T   4  -8.906  -4.586  17.087
   39   1H2*    T   4          1H2*        T   4  -6.709  -3.978  17.310
   40   2H2*    T   4          2H2*        T   4  -7.017  -4.127  19.041
   41    H1*    T   4           H1*        T   4  -6.002  -6.252  19.266
   42    H3     T   4           H3         T   4  -1.584  -6.094  18.616
   43   1H5M    T   4          H51         T   4  -3.624  -3.753  14.313
   44   2H5M    T   4          H52         T   4  -3.290  -2.420  15.441
   45   3H5M    T   4          H53         T   4  -1.956  -3.438  14.845
   46    H6     T   4           H6         T   4  -5.300  -4.290  16.191
   47   1H5*    G   5          1H5*        G   5  -7.768  -6.321  21.388
   48   2H5*    G   5          2H5*        G   5  -8.806  -5.451  22.535
   49    H4*    G   5           H4*        G   5  -6.667  -5.910  23.583
   50    H3*    G   5           H3*        G   5  -7.738  -3.281  23.225
   51    H1*    G   5           H1*        G   5  -3.976  -4.313  23.231
   52    H8     G   5           H8         G   5  -5.367  -2.863  19.883
   53    H1     G   5           H1         G   5   0.973  -3.330  20.241
   54   1H2     G   5          H21         G   5   0.405  -4.577  23.436
   55   2H2     G   5          H22         G   5   1.571  -4.130  22.210
   56   1H2*    G   5          1H2*        G   5  -5.947  -2.309  22.198
   57   2H2*    G   5          2H2*        G   5  -5.151  -2.421  23.798
   58   1H5*  2AR   6          1H5*      2AR   6  -4.100  -4.252  26.145
   59   2H5*  2AR   6          2H5*      2AR   6  -4.448  -3.372  27.647
   60    H4*  2AR   6           H4*      2AR   6  -2.038  -3.389  27.231
   61    H1*  2AR   6           H1*      2AR   6  -0.583  -1.111  25.289
   62    H2   2AR   6           H2       2AR   6   2.342  -0.081  22.090
   63   1H6   2AR   6          1H6       2AR   6  -0.273   0.803  18.558
   64   2H6   2AR   6          2H6       2AR   6  -1.928   0.570  19.075
   65    H8   2AR   6           H8       2AR   6  -3.908  -0.723  23.261
   66   2H2*  2AR   6          2H2*      2AR   6  -1.913   0.520  26.325
   67   1H2*  2AR   6          1H2*      2AR   6  -3.422  -0.135  25.634
   68    H3*  2AR   6           H3*      2AR   6  -3.564  -1.094  27.734
   69    HX*  2AR   6           HX*      2AR   6  -1.254  -3.308  25.090
   70   HX**  2AR   6          HX**      2AR   6  -2.874  -2.866  24.483
   71   1H5*    G   7          1H5*        G   7   1.440  -0.822  26.831
   72   2H5*    G   7          2H5*        G   7   1.714  -0.046  28.404
   73    H4*    G   7           H4*        G   7   3.379   0.823  26.940
   74    H3*    G   7           H3*        G   7   1.369   2.509  28.058
   75    H1*    G   7           H1*        G   7   3.148   2.873  24.656
   76    H8     G   7           H8         G   7  -0.709   2.772  24.324
   77    H1     G   7           H1         G   7   2.355   3.240  18.786
   78   1H2     G   7          H21         G   7   5.255   2.881  20.670
   79   2H2     G   7          H22         G   7   4.534   3.094  19.088
   80   1H2*    G   7          1H2*        G   7   0.509   3.293  26.051
   81   2H2*    G   7          2H2*        G   7   1.967   4.319  26.050
   82   1H5*    T   8          1H5*        T   8   5.133   3.699  25.693
   83   2H5*    T   8          2H5*        T   8   5.983   4.872  26.719
   84    H4*    T   8           H4*        T   8   6.630   5.343  24.491
   85    H3*    T   8           H3*        T   8   5.029   7.224  25.956
   86   1H2*    T   8          1H2*        T   8   3.511   7.699  24.354
   87   2H2*    T   8          2H2*        T   8   4.850   8.437  23.435
   88    H1*    T   8           H1*        T   8   5.116   6.611  22.074
   89    H3     T   8           H3         T   8   1.471   6.002  19.509
   90   1H5M    T   8          H51         T   8  -0.352   5.367  24.404
   91   2H5M    T   8          H52         T   8  -0.474   7.132  24.207
   92   3H5M    T   8          H53         T   8  -1.394   6.051  23.134
   93    H6     T   8           H6         T   8   2.144   6.266  24.252
   94   1H5*    C   9          1H5*        C   9   7.159   7.426  22.237
   95   2H5*    C   9          2H5*        C   9   8.347   8.741  22.132
   96    H4*    C   9           H4*        C   9   7.631   8.341  19.908
   97    H3*    C   9           H3*        C   9   6.974  10.783  21.253
   98    H1*    C   9           H1*        C   9   4.838   8.924  18.489
   99   1H4     C   9          H41         C   9  -0.740   9.347  22.038
  100   2H4     C   9          H42         C   9  -1.198   8.951  20.394
  101    H5     C   9           H5         C   9   1.589   9.639  22.717
  102    H6     C   9           H6         C   9   3.900   9.460  22.007
  103   1H2*    C   9          1H2*        C   9   4.752  10.859  20.782
  104   2H2*    C   9          2H2*        C   9   5.250  11.133  19.081
  105   1H5*    A  10          1H5*        A  10   8.318  10.703  16.397
  106   2H5*    A  10          2H5*        A  10   9.218  12.230  16.461
  107    H4*    A  10           H4*        A  10   8.442  11.763  14.188
  108    H3*    A  10           H3*        A  10   8.113  14.164  15.542
  109    H1*    A  10           H1*        A  10   5.014  12.574  13.532
  110    H8     A  10           H8         A  10   5.540  11.702  17.184
  111   1H6     A  10          1H6         A  10  -0.605  11.661  17.725
  112   2H6     A  10          2H6         A  10   0.904  11.320  18.541
  113    H2     A  10           H2         A  10   0.436  13.066  13.586
  114   1H2*    A  10          1H2*        A  10   5.857  14.229  15.839
  115   2H2*    A  10          2H2*        A  10   5.804  14.645  14.104
  116   1H5*    C  11          1H5*        C  11   6.492  13.621  11.190
  117   2H5*    C  11          2H5*        C  11   7.225  14.941  10.255
  118    H4*    C  11           H4*        C  11   5.065  14.315   9.294
  119    H3*    C  11           H3*        C  11   5.741  16.953  10.248
  120    H1*    C  11           H1*        C  11   2.105  15.313  10.630
  121   1H4     C  11          H41         C  11   0.677  16.583  16.675
  122   2H4     C  11          H42         C  11   2.362  16.645  17.131
  123    H5     C  11           H5         C  11   4.166  16.395  15.533
  124    H6     C  11           H6         C  11   4.721  15.961  13.192
  125    H3T    C  11           H3T        C  11   5.630  16.213   8.057
  126   1H2*    C  11          1H2*        C  11   3.853  17.556  11.296
  127   2H2*    C  11          2H2*        C  11   2.941  17.237   9.792
  128   1H5*    G  12          1H5*        G  12  -6.253  17.645  20.695
  129   2H5*    G  12          2H5*        G  12  -6.958  19.064  19.897
  130    H4*    G  12           H4*        G  12  -7.810  17.626  18.082
  131    H3*    G  12           H3*        G  12  -7.139  15.527  19.969
  132    H1*    G  12           H1*        G  12  -5.162  16.223  16.564
  133    H8     G  12           H8         G  12  -3.807  16.633  20.180
  134    H1     G  12           H1         G  12   0.603  15.306  15.781
  135   1H2     G  12          H21         G  12  -2.078  15.274  13.547
  136   2H2     G  12          H22         G  12  -0.349  15.113  13.774
  137   1H2*    G  12          1H2*        G  12  -5.310  14.659  19.017
  138   2H2*    G  12          2H2*        G  12  -6.205  14.454  17.487
  139    H5T    G  12           H5T        G  12  -8.289  18.229  21.559
  140   1H5*    T  13          1H5*        T  13  -8.266  14.834  15.723
  141   2H5*    T  13          2H5*        T  13  -9.272  13.413  15.380
  142    H4*    T  13           H4*        T  13  -7.549  13.820  13.640
  143    H3*    T  13           H3*        T  13  -8.116  11.366  14.956
  144   1H2*    T  13          1H2*        T  13  -6.072  10.851  15.765
  145   2H2*    T  13          2H2*        T  13  -5.606  10.577  14.062
  146    H1*    T  13           H1*        T  13  -4.490  12.572  13.926
  147    H3     T  13           H3         T  13  -1.043  12.508  16.794
  148   1H5M    T  13          H51         T  13  -3.819  12.163  20.483
  149   2H5M    T  13          H52         T  13  -5.324  12.887  19.869
  150   3H5M    T  13          H53         T  13  -5.077  11.127  19.767
  151    H6     T  13           H6         T  13  -5.807  12.295  17.337
  152   1H5*    G  14          1H5*        G  14  -5.802  11.061  11.100
  153   2H5*    G  14          2H5*        G  14  -6.271   9.691  10.072
  154    H4*    G  14           H4*        G  14  -3.832  10.072  10.028
  155    H3*    G  14           H3*        G  14  -5.151   7.609  10.571
  156    H1*    G  14           H1*        G  14  -1.814   8.808  12.269
  157    H8     G  14           H8         G  14  -5.016   8.462  14.446
  158    H1     G  14           H1         G  14   0.443   8.847  17.699
  159   1H2     G  14          H21         G  14   1.935   9.081  14.557
  160   2H2     G  14          H22         G  14   2.150   9.035  16.292
  161   1H2*    G  14          1H2*        G  14  -4.263   7.130  12.603
  162   2H2*    G  14          2H2*        G  14  -2.754   6.794  11.706
  163   1H5*    A  15          1H5*        A  15  -0.518   8.118   9.790
  164   2H5*    A  15          2H5*        A  15  -0.148   6.899   8.554
  165    H4*    A  15           H4*        A  15   1.819   7.250   9.922
  166    H3*    A  15           H3*        A  15   0.489   4.728   9.667
  167    H1*    A  15           H1*        A  15   2.315   6.042  12.914
  168    H8     A  15           H8         A  15  -1.534   5.546  12.843
  169   1H6     A  15          1H6         A  15  -1.188   5.515  18.993
  170   2H6     A  15          2H6         A  15  -2.263   5.423  17.616
  171    H2     A  15           H2         A  15   2.972   6.006  17.364
  172   1H2*    A  15          1H2*        A  15   0.267   4.167  11.835
  173   2H2*    A  15          2H2*        A  15   2.047   4.026  11.869
  174   1H5*    C  16          1H5*        C  16   4.785   5.204  11.116
  175   2H5*    C  16          2H5*        C  16   5.882   3.963  10.476
  176    H4*    C  16           H4*        C  16   6.494   4.587  12.774
  177    H3*    C  16           H3*        C  16   6.045   1.929  11.812
  178    H1*    C  16           H1*        C  16   5.243   3.340  15.399
  179   1H4     C  16          H41         C  16  -1.234   2.104  16.138
  180   2H4     C  16          H42         C  16  -0.549   2.341  17.729
  181    H5     C  16           H5         C  16   0.072   2.210  14.116
  182    H6     C  16           H6         C  16   2.303   2.564  13.198
  183   1H2*    C  16          1H2*        C  16   4.311   1.393  13.278
  184   2H2*    C  16          2H2*        C  16   5.621   1.224  14.476
  185   1H5*  8OG  17          1H5*      8OG  17   8.332   2.613  16.032
  186   2H5*  8OG  17          2H5*      8OG  17   9.665   1.442  15.958
  187    H4*  8OG  17           H4*      8OG  17   8.878   1.680  18.260
  188    H3*  8OG  17           H3*      8OG  17   9.012  -0.783  16.825
  189   1H2*  8OG  17          1H2*      8OG  17   6.859  -1.448  17.063
  190   2H2*  8OG  17          2H2*      8OG  17   7.321  -1.805  18.752
  191    H1*  8OG  17           H1*      8OG  17   6.407   0.193  19.539
  192    H1   8OG  17           H1       8OG  17   2.192  -1.150  14.010
  193    H7   8OG  17           H7       8OG  17   1.876  -0.224  18.910
  194   1H2   8OG  17          1H2       8OG  17   5.590  -1.013  13.240
  195   2H2   8OG  17          2H2       8OG  17   3.957  -1.269  12.669
  196   1H5*    C  18          1H5*        C  18   8.833  -0.903  21.685
  197   2H5*    C  18          2H5*        C  18   9.947  -2.216  22.122
  198    H4*    C  18           H4*        C  18   8.002  -2.238  23.609
  199    H3*    C  18           H3*        C  18   8.958  -4.432  22.150
  200    H1*    C  18           H1*        C  18   5.233  -3.699  22.751
  201   1H4     C  18          H41         C  18   2.701  -3.402  16.652
  202   2H4     C  18          H42         C  18   1.377  -3.111  17.760
  203    H5     C  18           H5         C  18   4.997  -3.699  17.393
  204    H6     C  18           H6         C  18   6.480  -3.701  19.288
  205   1H2*    C  18          1H2*        C  18   7.236  -4.611  20.690
  206   2H2*    C  18          2H2*        C  18   6.464  -5.512  21.973
  207   1H5*    A  19          1H5*        A  19   5.358  -5.508  25.597
  208   2H5*    A  19          2H5*        A  19   6.195  -6.934  26.244
  209    H4*    A  19           H4*        A  19   3.799  -7.337  26.287
  210    H3*    A  19           H3*        A  19   5.653  -8.964  24.914
  211    H1*    A  19           H1*        A  19   2.085  -8.257  23.730
  212    H8     A  19           H8         A  19   4.967  -7.114  21.423
  213   1H6     A  19          1H6         A  19   0.586  -5.643  17.360
  214   2H6     A  19          2H6         A  19   2.309  -5.732  17.643
  215    H2     A  19           H2         A  19  -1.428  -7.070  21.114
  216   1H2*    A  19          1H2*        A  19   4.854  -8.816  22.822
  217   2H2*    A  19          2H2*        A  19   3.588  -9.928  23.420
  218   1H5*    C  20          1H5*        C  20   1.554 -10.378  26.400
  219   2H5*    C  20          2H5*        C  20   1.386 -12.103  26.778
  220    H4*    C  20           H4*        C  20  -0.699 -11.179  25.846
  221    H3*    C  20           H3*        C  20   0.669 -13.499  24.932
  222    H1*    C  20           H1*        C  20  -1.292 -10.963  22.693
  223   1H4     C  20          H41         C  20   3.499  -9.629  18.307
  224   2H4     C  20          H42         C  20   1.996  -9.063  17.612
  225    H5     C  20           H5         C  20   3.625 -10.681  20.489
  226    H6     C  20           H6         C  20   2.412 -11.257  22.481
  227   1H2*    C  20          1H2*        C  20   1.058 -12.823  22.758
  228   2H2*    C  20          2H2*        C  20  -0.687 -13.192  22.544
  229   1H5*    T  21          1H5*        T  21  -3.611 -12.302  24.038
  230   2H5*    T  21          2H5*        T  21  -4.739 -13.664  24.181
  231    H4*    T  21           H4*        T  21  -5.569 -11.923  22.640
  232    H3*    T  21           H3*        T  21  -5.294 -14.721  22.050
  233   1H2*    T  21          1H2*        T  21  -4.221 -14.584  20.071
  234   2H2*    T  21          2H2*        T  21  -5.719 -13.853  19.426
  235    H1*    T  21           H1*        T  21  -4.854 -11.730  19.532
  236    H3     T  21           H3         T  21  -1.702 -12.163  16.322
  237   1H5M    T  21          H51         T  21   1.300 -13.997  19.322
  238   2H5M    T  21          H52         T  21   0.863 -13.006  20.732
  239   3H5M    T  21          H53         T  21   0.220 -14.657  20.573
  240    H6     T  21           H6         T  21  -1.962 -13.277  20.971
  241   1H5*    G  22          1H5*        G  22  -8.404 -12.131  19.622
  242   2H5*    G  22          2H5*        G  22  -9.913 -13.060  19.723
  243    H4*    G  22           H4*        G  22  -9.805 -11.844  17.606
  244    H3*    G  22           H3*        G  22 -10.076 -14.714  17.856
  245    H1*    G  22           H1*        G  22  -7.903 -12.889  14.967
  246    H8     G  22           H8         G  22  -6.636 -15.240  17.805
  247    H1     G  22           H1         G  22  -2.763 -14.650  12.783
  248   1H2     G  22          H21         G  22  -5.162 -12.437  11.578
  249   2H2     G  22          H22         G  22  -3.601 -13.191  11.331
  250    H3T    G  22           H3T        G  22 -11.701 -13.138  17.312
  251   1H2*    G  22          1H2*        G  22  -8.685 -15.426  16.221
  252   2H2*    G  22          2H2*        G  22  -9.581 -14.425  15.045
  Start of MODEL    5
    1   1H5*    C   1          1H5*        C   1   1.473 -15.429   6.782
    2   2H5*    C   1          2H5*        C   1   2.707 -14.242   6.314
    3    H4*    C   1           H4*        C   1   0.434 -13.374   5.917
    4    H3*    C   1           H3*        C   1   2.497 -12.087   7.395
    5    H1*    C   1           H1*        C   1  -1.334 -11.973   8.370
    6   1H4     C   1          H41         C   1  -2.050 -13.473  14.445
    7   2H4     C   1          H42         C   1  -0.752 -14.635  14.400
    8    H5     C   1           H5         C   1   0.841 -14.710  12.507
    9    H6     C   1           H6         C   1   1.110 -14.077  10.143
   10   1H2*    C   1          1H2*        C   1   1.448 -11.742   9.370
   11   2H2*    C   1          2H2*        C   1   0.443 -10.560   8.493
   12    H5T    C   1           H5T        C   1   2.732 -13.637   8.589
   13   1H5*    A   2          1H5*        A   2  -1.157  -9.721   6.290
   14   2H5*    A   2          2H5*        A   2  -0.905  -8.009   5.900
   15    H4*    A   2           H4*        A   2  -2.849  -8.377   7.407
   16    H3*    A   2           H3*        A   2  -0.732  -6.505   7.750
   17    H1*    A   2           H1*        A   2  -2.571  -8.430  10.624
   18    H8     A   2           H8         A   2   1.272  -9.168  10.098
   19   1H6     A   2          1H6         A   2   0.951 -11.927  15.590
   20   2H6     A   2          2H6         A   2   2.001 -11.475  14.265
   21    H2     A   2           H2         A   2  -3.172 -10.479  14.540
   22   1H2*    A   2          1H2*        A   2   0.034  -7.191   9.777
   23   2H2*    A   2          2H2*        A   2  -1.442  -6.424  10.420
   24   1H5*    G   3          1H5*        G   3  -4.703  -7.407   9.862
   25   2H5*    G   3          2H5*        G   3  -5.578  -5.877   9.666
   26    H4*    G   3           H4*        G   3  -6.638  -7.215  11.384
   27    H3*    G   3           H3*        G   3  -5.763  -4.577  11.751
   28    H1*    G   3           H1*        G   3  -5.371  -7.363  14.548
   29    H8     G   3           H8         G   3  -2.382  -6.282  12.452
   30    H1     G   3           H1         G   3  -0.852  -8.876  18.065
   31   1H2     G   3          H21         G   3  -4.302  -9.088  18.529
   32   2H2     G   3          H22         G   3  -2.705  -9.387  19.179
   33   1H2*    G   3          1H2*        G   3  -4.227  -4.876  13.397
   34   2H2*    G   3          2H2*        G   3  -5.644  -5.094  14.463
   35   1H5*    T   4          1H5*        T   4  -8.103  -6.846  15.206
   36   2H5*    T   4          2H5*        T   4  -9.430  -5.736  15.608
   37    H4*    T   4           H4*        T   4  -8.717  -6.908  17.621
   38    H3*    T   4           H3*        T   4  -8.893  -4.110  17.347
   39   1H2*    T   4          1H2*        T   4  -6.666  -3.595  17.519
   40   2H2*    T   4          2H2*        T   4  -6.923  -3.812  19.250
   41    H1*    T   4           H1*        T   4  -5.989  -5.984  19.344
   42    H3     T   4           H3         T   4  -1.587  -5.937  18.584
   43   1H5M    T   4          H51         T   4  -1.961  -3.080  14.966
   44   2H5M    T   4          H52         T   4  -3.629  -3.378  14.423
   45   3H5M    T   4          H53         T   4  -3.295  -2.085  15.596
   46    H6     T   4           H6         T   4  -5.304  -3.909  16.342
   47   1H5*    G   5          1H5*        G   5  -7.571  -6.141  21.559
   48   2H5*    G   5          2H5*        G   5  -8.602  -5.286  22.724
   49    H4*    G   5           H4*        G   5  -6.490  -5.786  23.788
   50    H3*    G   5           H3*        G   5  -7.491  -3.133  23.443
   51    H1*    G   5           H1*        G   5  -3.751  -4.242  23.451
   52    H8     G   5           H8         G   5  -5.094  -2.814  20.079
   53    H1     G   5           H1         G   5   1.236  -3.348  20.495
   54   1H2     G   5          H21         G   5   0.633  -4.518  23.711
   55   2H2     G   5          H22         G   5   1.812  -4.106  22.486
   56   1H2*    G   5          1H2*        G   5  -5.680  -2.209  22.393
   57   2H2*    G   5          2H2*        G   5  -4.887  -2.318  23.994
   58   1H5*  2AR   6          1H5*      2AR   6  -3.848  -4.172  26.370
   59   2H5*  2AR   6          2H5*      2AR   6  -4.179  -3.266  27.861
   60    H4*  2AR   6           H4*      2AR   6  -1.766  -3.339  27.432
   61    H1*  2AR   6           H1*      2AR   6  -0.288  -1.081  25.481
   62    H2   2AR   6           H2       2AR   6   2.640  -0.076  22.272
   63   1H6   2AR   6          1H6       2AR   6   0.021   0.820  18.748
   64   2H6   2AR   6          2H6       2AR   6  -1.635   0.603  19.269
   65    H8   2AR   6           H8       2AR   6  -3.613  -0.656  23.464
   66   2H2*  2AR   6          2H2*      2AR   6  -1.596   0.572  26.516
   67   1H2*  2AR   6          1H2*      2AR   6  -3.114  -0.072  25.838
   68    H3*  2AR   6           H3*      2AR   6  -3.244  -1.017  27.949
   69    HX*  2AR   6           HX*      2AR   6  -0.992  -3.269  25.286
   70   HX**  2AR   6          HX**      2AR   6  -2.609  -2.803  24.688
   71   1H5*    G   7          1H5*        G   7   1.819  -0.776  27.071
   72   2H5*    G   7          2H5*        G   7   2.064   0.043  28.627
   73    H4*    G   7           H4*        G   7   3.726   0.893  27.137
   74    H3*    G   7           H3*        G   7   1.708   2.578  28.245
   75    H1*    G   7           H1*        G   7   3.479   2.912  24.838
   76    H8     G   7           H8         G   7  -0.378   2.803  24.512
   77    H1     G   7           H1         G   7   2.680   3.210  18.968
   78   1H2     G   7          H21         G   7   5.582   2.875  20.852
   79   2H2     G   7          H22         G   7   4.858   3.069  19.269
   80   1H2*    G   7          1H2*        G   7   0.841   3.340  26.234
   81   2H2*    G   7          2H2*        G   7   2.297   4.371  26.217
   82   1H5*    T   8          1H5*        T   8   5.466   3.757  25.861
   83   2H5*    T   8          2H5*        T   8   6.309   4.954  26.863
   84    H4*    T   8           H4*        T   8   6.942   5.383  24.619
   85    H3*    T   8           H3*        T   8   5.353   7.288  26.066
   86   1H2*    T   8          1H2*        T   8   3.822   7.735  24.467
   87   2H2*    T   8          2H2*        T   8   5.153   8.459  23.526
   88    H1*    T   8           H1*        T   8   5.412   6.610  22.195
   89    H3     T   8           H3         T   8   1.750   5.972  19.663
   90   1H5M    T   8          H51         T   8  -0.160   7.161  24.364
   91   2H5M    T   8          H52         T   8  -1.091   6.074  23.307
   92   3H5M    T   8          H53         T   8  -0.042   5.398  24.576
   93    H6     T   8           H6         T   8   2.455   6.302  24.398
   94   1H5*    C   9          1H5*        C   9   7.423   7.413  22.294
   95   2H5*    C   9          2H5*        C   9   8.625   8.716  22.187
   96    H4*    C   9           H4*        C   9   7.911   8.325  19.964
   97    H3*    C   9           H3*        C   9   7.269  10.769  21.304
   98    H1*    C   9           H1*        C   9   5.105   8.926  18.549
   99   1H4     C   9          H41         C   9  -0.445   9.304  22.147
  100   2H4     C   9          H42         C   9  -0.917   8.905  20.508
  101    H5     C   9           H5         C   9   1.886   9.616  22.804
  102    H6     C   9           H6         C   9   4.191   9.452  22.076
  103   1H2*    C   9          1H2*        C   9   5.040  10.845  20.857
  104   2H2*    C   9          2H2*        C   9   5.524  11.130  19.152
  105   1H5*    A  10          1H5*        A  10   8.360  10.429  16.487
  106   2H5*    A  10          2H5*        A  10   9.274  11.942  16.333
  107    H4*    A  10           H4*        A  10   8.369  11.239  14.175
  108    H3*    A  10           H3*        A  10   8.127  13.779  15.267
  109    H1*    A  10           H1*        A  10   4.920  12.011  13.602
  110    H8     A  10           H8         A  10   5.653  11.779  17.324
  111   1H6     A  10          1H6         A  10  -0.458  11.503  18.153
  112   2H6     A  10          2H6         A  10   1.096  11.432  18.951
  113    H2     A  10           H2         A  10   0.349  12.112  13.775
  114   1H2*    A  10          1H2*        A  10   5.893  13.910  15.656
  115   2H2*    A  10          2H2*        A  10   5.759  14.120  13.888
  116   1H5*    C  11          1H5*        C  11   6.248  12.944  11.020
  117   2H5*    C  11          2H5*        C  11   6.797  14.266   9.969
  118    H4*    C  11           H4*        C  11   4.541  13.570   9.341
  119    H3*    C  11           H3*        C  11   5.232  16.250  10.226
  120    H1*    C  11           H1*        C  11   1.762  14.403  10.912
  121   1H4     C  11          H41         C  11   2.309  15.888  17.360
  122   2H4     C  11          H42         C  11   0.616  15.587  17.039
  123    H5     C  11           H5         C  11   4.009  15.795  15.656
  124    H6     C  11           H6         C  11   4.453  15.405  13.283
  125    H3T    C  11           H3T        C  11   4.973  15.492   8.048
  126   1H2*    C  11          1H2*        C  11   3.406  16.778  11.415
  127   2H2*    C  11          2H2*        C  11   2.386  16.378  10.004
  128   1H5*    G  12          1H5*        G  12  -8.902  18.864  18.667
  129   2H5*    G  12          2H5*        G  12  -9.888  17.519  19.274
  130    H4*    G  12           H4*        G  12  -9.252  17.143  16.933
  131    H3*    G  12           H3*        G  12  -8.642  15.361  19.129
  132    H1*    G  12           H1*        G  12  -6.316  15.986  15.958
  133    H8     G  12           H8         G  12  -5.386  17.126  19.548
  134    H1     G  12           H1         G  12  -0.429  15.694  15.808
  135   1H2     G  12          H21         G  12  -2.853  14.851  13.450
  136   2H2     G  12          H22         G  12  -1.151  14.975  13.835
  137   1H2*    G  12          1H2*        G  12  -6.546  14.769  18.622
  138   2H2*    G  12          2H2*        G  12  -7.121  14.175  17.041
  139    H5T    G  12           H5T        G  12  -7.084  17.638  19.639
  140   1H5*    T  13          1H5*        T  13  -8.559  14.229  14.797
  141   2H5*    T  13          2H5*        T  13  -9.497  12.751  14.507
  142    H4*    T  13           H4*        T  13  -7.621  12.886  12.958
  143    H3*    T  13           H3*        T  13  -8.083  10.704  14.758
  144   1H2*    T  13          1H2*        T  13  -6.020  10.530  15.657
  145   2H2*    T  13          2H2*        T  13  -5.485   9.997  14.038
  146    H1*    T  13           H1*        T  13  -4.605  12.049  13.515
  147    H3     T  13           H3         T  13  -1.097  12.484  16.277
  148   1H5M    T  13          H51         T  13  -5.020  13.836  19.335
  149   2H5M    T  13          H52         T  13  -5.354  12.091  19.425
  150   3H5M    T  13          H53         T  13  -3.807  12.735  20.024
  151    H6     T  13           H6         T  13  -5.851  12.461  16.930
  152   1H5*    G  14          1H5*        G  14  -5.845  10.406  11.263
  153   2H5*    G  14          2H5*        G  14  -6.239   8.978  10.284
  154    H4*    G  14           H4*        G  14  -3.828   9.512  10.195
  155    H3*    G  14           H3*        G  14  -4.985   6.987  10.836
  156    H1*    G  14           H1*        G  14  -1.697   8.449  12.414
  157    H8     G  14           H8         G  14  -4.819   7.985  14.687
  158    H1     G  14           H1         G  14   0.693   8.740  17.782
  159   1H2     G  14          H21         G  14   2.095   8.938  14.597
  160   2H2     G  14          H22         G  14   2.354   8.962  16.326
  161   1H2*    G  14          1H2*        G  14  -4.016   6.616  12.852
  162   2H2*    G  14          2H2*        G  14  -2.511   6.361  11.926
  163   1H5*    A  15          1H5*        A  15  -0.410   7.717   9.899
  164   2H5*    A  15          2H5*        A  15   0.001   6.476   8.698
  165    H4*    A  15           H4*        A  15   1.970   6.973  10.020
  166    H3*    A  15           H3*        A  15   0.770   4.382   9.859
  167    H1*    A  15           H1*        A  15   2.559   5.878  13.049
  168    H8     A  15           H8         A  15  -1.262   5.192  13.029
  169   1H6     A  15          1H6         A  15  -0.878   5.402  19.171
  170   2H6     A  15          2H6         A  15  -1.955   5.209  17.806
  171    H2     A  15           H2         A  15   3.244   6.034  17.493
  172   1H2*    A  15          1H2*        A  15   0.593   3.877  12.045
  173   2H2*    A  15          2H2*        A  15   2.378   3.824  12.065
  174   1H5*    C  16          1H5*        C  16   5.047   5.043  11.302
  175   2H5*    C  16          2H5*        C  16   6.179   3.817  10.696
  176    H4*    C  16           H4*        C  16   6.748   4.482  12.991
  177    H3*    C  16           H3*        C  16   6.352   1.800  12.066
  178    H1*    C  16           H1*        C  16   5.492   3.263  15.618
  179   1H4     C  16          H41         C  16  -0.972   1.951  16.335
  180   2H4     C  16          H42         C  16  -0.302   2.244  17.926
  181    H5     C  16           H5         C  16   0.351   2.014  14.322
  182    H6     C  16           H6         C  16   2.584   2.374  13.412
  183   1H2*    C  16          1H2*        C  16   4.615   1.260  13.527
  184   2H2*    C  16          2H2*        C  16   5.915   1.136  14.741
  185   1H5*  8OG  17          1H5*      8OG  17   8.500   2.626  16.319
  186   2H5*  8OG  17          2H5*      8OG  17   9.872   1.498  16.302
  187    H4*  8OG  17           H4*      8OG  17   9.028   1.754  18.579
  188    H3*  8OG  17           H3*      8OG  17   9.270  -0.729  17.202
  189   1H2*  8OG  17          1H2*      8OG  17   7.121  -1.438  17.379
  190   2H2*  8OG  17          2H2*      8OG  17   7.543  -1.772  19.083
  191    H1*  8OG  17           H1*      8OG  17   6.567   0.215  19.827
  192    H1   8OG  17           H1       8OG  17   2.508  -1.312  14.230
  193    H7   8OG  17           H7       8OG  17   2.067  -0.340  19.110
  194   1H2   8OG  17          1H2       8OG  17   5.918  -1.103  13.531
  195   2H2   8OG  17          2H2       8OG  17   4.304  -1.410  12.930
  196   1H5*    C  18          1H5*        C  18   9.009  -0.900  22.207
  197   2H5*    C  18          2H5*        C  18  10.159  -2.218  22.517
  198    H4*    C  18           H4*        C  18   8.247  -2.414  24.032
  199    H3*    C  18           H3*        C  18   9.232  -4.457  22.420
  200    H1*    C  18           H1*        C  18   5.530  -3.905  22.991
  201   1H4     C  18          H41         C  18   3.007  -3.502  16.960
  202   2H4     C  18          H42         C  18   1.668  -3.212  18.051
  203    H5     C  18           H5         C  18   5.302  -3.795  17.749
  204    H6     C  18           H6         C  18   6.767  -3.633  19.604
  205   1H2*    C  18          1H2*        C  18   6.801  -5.547  21.933
  206   2H2*    C  18          2H2*        C  18   7.528  -4.359  20.904
  207   1H5*    A  19          1H5*        A  19   5.397  -5.657  25.530
  208   2H5*    A  19          2H5*        A  19   6.206  -7.100  26.174
  209    H4*    A  19           H4*        A  19   3.812  -7.492  26.147
  210    H3*    A  19           H3*        A  19   5.686  -9.091  24.743
  211    H1*    A  19           H1*        A  19   2.113  -8.340  23.613
  212    H8     A  19           H8         A  19   4.968  -7.316  21.227
  213   1H6     A  19          1H6         A  19   0.546  -5.569  17.322
  214   2H6     A  19          2H6         A  19   2.271  -5.753  17.548
  215    H2     A  19           H2         A  19  -1.419  -6.919  21.131
  216   1H2*    A  19          1H2*        A  19   4.862  -8.935  22.662
  217   2H2*    A  19          2H2*        A  19   3.586 -10.032  23.267
  218   1H5*    C  20          1H5*        C  20   1.540 -10.422  26.162
  219   2H5*    C  20          2H5*        C  20   1.347 -12.151  26.520
  220    H4*    C  20           H4*        C  20  -0.726 -11.197  25.602
  221    H3*    C  20           H3*        C  20   0.630 -13.505  24.629
  222    H1*    C  20           H1*        C  20  -1.334 -10.904  22.468
  223   1H4     C  20          H41         C  20   3.420  -9.531  18.054
  224   2H4     C  20          H42         C  20   1.913  -8.944  17.385
  225    H5     C  20           H5         C  20   3.563 -10.610  20.222
  226    H6     C  20           H6         C  20   2.366 -11.215  22.215
  227   1H2*    C  20          1H2*        C  20   0.999 -12.784  22.465
  228   2H2*    C  20          2H2*        C  20  -0.751 -13.134  22.261
  229   1H5*    T  21          1H5*        T  21  -3.683 -12.321  23.865
  230   2H5*    T  21          2H5*        T  21  -4.805 -13.692  23.964
  231    H4*    T  21           H4*        T  21  -5.653 -11.884  22.508
  232    H3*    T  21           H3*        T  21  -5.404 -14.658  21.814
  233   1H2*    T  21          1H2*        T  21  -4.359 -14.458  19.825
  234   2H2*    T  21          2H2*        T  21  -5.862 -13.695  19.228
  235    H1*    T  21           H1*        T  21  -4.985 -11.582  19.397
  236    H3     T  21           H3         T  21  -1.890 -11.921  16.121
  237   1H5M    T  21          H51         T  21   0.755 -12.922  20.442
  238   2H5M    T  21          H52         T  21   0.084 -14.561  20.266
  239   3H5M    T  21          H53         T  21   1.145 -13.890  19.003
  240    H6     T  21           H6         T  21  -2.079 -13.193  20.734
  241   1H5*    G  22          1H5*        G  22  -8.536 -11.951  19.529
  242   2H5*    G  22          2H5*        G  22 -10.048 -12.876  19.623
  243    H4*    G  22           H4*        G  22  -9.967 -11.577  17.553
  244    H3*    G  22           H3*        G  22 -10.294 -14.439  17.709
  245    H1*    G  22           H1*        G  22  -8.122 -12.577  14.842
  246    H8     G  22           H8         G  22  -6.813 -14.988  17.609
  247    H1     G  22           H1         G  22  -3.034 -14.313  12.526
  248   1H2     G  22          H21         G  22  -5.451 -12.073  11.407
  249   2H2     G  22          H22         G  22  -3.896 -12.826  11.116
  250    H3T    G  22           H3T        G  22 -11.206 -12.481  15.832
  251   1H2*    G  22          1H2*        G  22  -8.897 -15.133  16.070
  252   2H2*    G  22          2H2*        G  22  -9.798 -14.117  14.910
  Start of MODEL    6
    1   1H5*    C   1          1H5*        C   1   3.524 -16.315   6.381
    2   2H5*    C   1          2H5*        C   1   2.543 -16.796   7.781
    3    H4*    C   1           H4*        C   1   1.502 -15.446   5.260
    4    H3*    C   1           H3*        C   1   2.794 -14.334   7.529
    5    H1*    C   1           H1*        C   1  -1.127 -14.426   7.055
    6   1H4     C   1          H41         C   1  -3.904 -16.853  12.182
    7   2H4     C   1          H42         C   1  -2.409 -17.570  12.731
    8    H5     C   1           H5         C   1  -0.436 -17.719  11.298
    9    H6     C   1           H6         C   1   0.654 -16.698   9.348
   10   1H2*    C   1          1H2*        C   1   1.089 -14.329   9.024
   11   2H2*    C   1          2H2*        C   1   0.389 -13.028   8.023
   12    H5T    C   1           H5T        C   1   2.933 -18.524   6.334
   13   1H5*    A   2          1H5*        A   2  -0.518 -12.172   6.162
   14   2H5*    A   2          2H5*        A   2  -0.323 -10.452   5.764
   15    H4*    A   2           H4*        A   2  -2.424 -10.922   7.022
   16    H3*    A   2           H3*        A   2  -0.528  -8.889   7.508
   17    H1*    A   2           H1*        A   2  -2.400 -10.860  10.335
   18    H8     A   2           H8         A   2   1.350 -11.958   9.799
   19   1H6     A   2          1H6         A   2   1.198 -13.486  15.771
   20   2H6     A   2          2H6         A   2   2.170 -13.475  14.315
   21    H2     A   2           H2         A   2  -2.774 -11.685  14.705
   22   1H2*    A   2          1H2*        A   2   0.175  -9.510   9.586
   23   2H2*    A   2          2H2*        A   2  -1.376  -8.809  10.118
   24   1H5*    G   3          1H5*        G   3  -4.226  -9.935   9.946
   25   2H5*    G   3          2H5*        G   3  -5.276  -8.573   9.513
   26    H4*    G   3           H4*        G   3  -6.092  -9.629  11.537
   27    H3*    G   3           H3*        G   3  -5.463  -6.889  11.317
   28    H1*    G   3           H1*        G   3  -4.810  -9.044  14.551
   29    H8     G   3           H8         G   3  -1.807  -8.534  12.285
   30    H1     G   3           H1         G   3  -0.387  -8.758  18.485
   31   1H2     G   3          H21         G   3  -3.842  -8.905  18.926
   32   2H2     G   3          H22         G   3  -2.260  -8.885  19.672
   33   1H2*    G   3          1H2*        G   3  -3.863  -6.734  12.924
   34   2H2*    G   3          2H2*        G   3  -5.231  -6.843  14.069
   35   1H5*    T   4          1H5*        T   4  -7.167  -8.612  15.502
   36   2H5*    T   4          2H5*        T   4  -8.691  -7.700  15.497
   37    H4*    T   4           H4*        T   4  -8.011  -7.957  17.790
   38    H3*    T   4           H3*        T   4  -8.423  -5.456  16.564
   39   1H2*    T   4          1H2*        T   4  -6.258  -4.692  16.617
   40   2H2*    T   4          2H2*        T   4  -6.620  -4.308  18.298
   41    H1*    T   4           H1*        T   4  -5.526  -6.213  19.198
   42    H3     T   4           H3         T   4  -1.109  -5.802  18.692
   43   1H5M    T   4          H51         T   4  -1.476  -4.309  14.338
   44   2H5M    T   4          H52         T   4  -2.724  -5.443  13.775
   45   3H5M    T   4          H53         T   4  -3.180  -3.798  14.275
   46    H6     T   4           H6         T   4  -4.799  -5.305  15.675
   47   1H5*    G   5          1H5*        G   5  -7.474  -6.235  21.193
   48   2H5*    G   5          2H5*        G   5  -8.687  -5.250  22.034
   49    H4*    G   5           H4*        G   5  -6.729  -5.530  23.455
   50    H3*    G   5           H3*        G   5  -7.814  -3.025  22.671
   51    H1*    G   5           H1*        G   5  -3.979  -3.762  23.156
   52    H8     G   5           H8         G   5  -5.289  -3.016  19.567
   53    H1     G   5           H1         G   5   1.046  -2.846  20.210
   54   1H2     G   5          H21         G   5   0.427  -3.569  23.561
   55   2H2     G   5          H22         G   5   1.610  -3.239  22.315
   56   1H2*    G   5          1H2*        G   5  -5.979  -2.085  21.704
   57   2H2*    G   5          2H2*        G   5  -5.355  -1.943  23.375
   58   1H5*  2AR   6          1H5*      2AR   6  -4.741  -3.543  26.179
   59   2H5*  2AR   6          2H5*      2AR   6  -5.268  -2.539  27.545
   60    H4*  2AR   6           H4*      2AR   6  -2.814  -2.663  27.458
   61    H1*  2AR   6           H1*      2AR   6  -1.113  -0.459  25.544
   62    H2   2AR   6           H2       2AR   6   2.145   0.176  22.572
   63   1H6   2AR   6          1H6       2AR   6  -0.085   0.755  18.726
   64   2H6   2AR   6          2H6       2AR   6  -1.787   0.605  19.094
   65    H8   2AR   6           H8       2AR   6  -4.211  -0.181  23.161
   66   2H2*  2AR   6          2H2*      2AR   6  -2.563   1.211  26.330
   67   1H2*  2AR   6          1H2*      2AR   6  -3.983   0.486  25.537
   68    H3*  2AR   6           H3*      2AR   6  -4.314  -0.327  27.685
   69    HX*  2AR   6           HX*      2AR   6  -1.730  -2.671  25.451
   70   HX**  2AR   6          HX**      2AR   6  -3.262  -2.314  24.608
   71   1H5*    G   7          1H5*        G   7   0.621  -0.422  26.830
   72   2H5*    G   7          2H5*        G   7   0.951   0.320  28.408
   73    H4*    G   7           H4*        G   7   2.728   0.981  26.952
   74    H3*    G   7           H3*        G   7   0.954   2.862  28.127
   75    H1*    G   7           H1*        G   7   2.676   3.130  24.676
   76    H8     G   7           H8         G   7  -1.176   3.396  24.460
   77    H1     G   7           H1         G   7   1.756   3.695  18.843
   78   1H2     G   7          H21         G   7   4.651   2.964  20.620
   79   2H2     G   7          H22         G   7   3.916   3.269  19.055
   80   1H2*    G   7          1H2*        G   7   0.128   3.764  26.154
   81   2H2*    G   7          2H2*        G   7   1.680   4.639  26.142
   82   1H5*    T   8          1H5*        T   8   4.804   3.690  25.779
   83   2H5*    T   8          2H5*        T   8   5.788   4.773  26.785
   84    H4*    T   8           H4*        T   8   6.441   5.162  24.542
   85    H3*    T   8           H3*        T   8   5.068   7.207  26.027
   86   1H2*    T   8          1H2*        T   8   3.600   7.848  24.438
   87   2H2*    T   8          2H2*        T   8   5.003   8.425  23.501
   88    H1*    T   8           H1*        T   8   5.044   6.573  22.148
   89    H3     T   8           H3         T   8   1.326   6.411  19.628
   90   1H5M    T   8          H51         T   8  -1.476   6.738  23.291
   91   2H5M    T   8          H52         T   8  -0.498   5.931  24.540
   92   3H5M    T   8          H53         T   8  -0.430   7.701  24.361
   93    H6     T   8           H6         T   8   2.075   6.551  24.362
   94   1H5*    C   9          1H5*        C   9   7.151   7.146  22.297
   95   2H5*    C   9          2H5*        C   9   8.486   8.308  22.166
   96    H4*    C   9           H4*        C   9   7.703   7.971  19.954
   97    H3*    C   9           H3*        C   9   7.383  10.487  21.269
   98    H1*    C   9           H1*        C   9   4.970   8.895  18.569
   99   1H4     C   9          H41         C   9  -0.453   9.966  22.220
  100   2H4     C   9          H42         C   9  -0.985   9.620  20.588
  101    H5     C   9           H5         C   9   1.906   9.990  22.854
  102    H6     C   9           H6         C   9   4.166   9.538  22.106
  103   1H2*    C   9          1H2*        C   9   5.166  10.816  20.870
  104   2H2*    C   9          2H2*        C   9   5.647  11.038  19.156
  105   1H5*    A  10          1H5*        A  10   8.067   9.934  16.374
  106   2H5*    A  10          2H5*        A  10   9.190  11.291  16.161
  107    H4*    A  10           H4*        A  10   8.051  10.764  14.068
  108    H3*    A  10           H3*        A  10   8.260  13.296  15.177
  109    H1*    A  10           H1*        A  10   4.722  12.044  13.728
  110    H8     A  10           H8         A  10   5.676  11.736  17.394
  111   1H6     A  10          1H6         A  10  -0.358  12.161  18.634
  112   2H6     A  10          2H6         A  10   1.230  11.932  19.330
  113    H2     A  10           H2         A  10   0.213  12.614  14.201
  114   1H2*    A  10          1H2*        A  10   6.102  13.740  15.726
  115   2H2*    A  10          2H2*        A  10   5.881  14.004  13.973
  116   1H5*    C  11          1H5*        C  11   5.963  12.921  11.029
  117   2H5*    C  11          2H5*        C  11   6.603  14.224  10.007
  118    H4*    C  11           H4*        C  11   4.220  13.919   9.582
  119    H3*    C  11           H3*        C  11   5.376  16.397  10.596
  120    H1*    C  11           H1*        C  11   1.745  14.976  11.405
  121   1H4     C  11          H41         C  11   2.845  15.929  17.882
  122   2H4     C  11          H42         C  11   1.112  15.851  17.657
  123    H5     C  11           H5         C  11   4.417  15.765  16.067
  124    H6     C  11           H6         C  11   4.672  15.487  13.651
  125    H3T    C  11           H3T        C  11   4.886  15.867   8.393
  126   1H2*    C  11          1H2*        C  11   3.714  17.085  11.935
  127   2H2*    C  11          2H2*        C  11   2.560  16.918  10.582
  128   1H5*    G  12          1H5*        G  12  -7.740  19.555  20.499
  129   2H5*    G  12          2H5*        G  12  -8.783  18.231  21.056
  130    H4*    G  12           H4*        G  12  -8.393  18.074  18.638
  131    H3*    G  12           H3*        G  12  -7.738  16.014  20.566
  132    H1*    G  12           H1*        G  12  -5.631  16.816  17.273
  133    H8     G  12           H8         G  12  -4.396  17.362  20.912
  134    H1     G  12           H1         G  12   0.200  16.216  16.648
  135   1H2     G  12          H21         G  12  -2.421  15.894  14.374
  136   2H2     G  12          H22         G  12  -0.694  15.849  14.648
  137   1H2*    G  12          1H2*        G  12  -5.777  15.291  19.768
  138   2H2*    G  12          2H2*        G  12  -6.551  14.973  18.192
  139    H5T    G  12           H5T        G  12  -5.958  18.089  21.155
  140   1H5*    T  13          1H5*        T  13  -8.315  15.423  16.271
  141   2H5*    T  13          2H5*        T  13  -9.289  14.027  15.770
  142    H4*    T  13           H4*        T  13  -7.443  14.499  14.196
  143    H3*    T  13           H3*        T  13  -8.040  11.982  15.410
  144   1H2*    T  13          1H2*        T  13  -6.007  11.464  16.246
  145   2H2*    T  13          2H2*        T  13  -5.483  11.293  14.545
  146    H1*    T  13           H1*        T  13  -4.441  13.333  14.535
  147    H3     T  13           H3         T  13  -1.005  12.981  17.394
  148   1H5M    T  13          H51         T  13  -5.186  11.846  20.333
  149   2H5M    T  13          H52         T  13  -3.787  12.659  21.073
  150   3H5M    T  13          H53         T  13  -5.176  13.615  20.512
  151    H6     T  13           H6         T  13  -5.774  12.992  17.933
  152   1H5*    G  14          1H5*        G  14  -5.570  11.719  11.479
  153   2H5*    G  14          2H5*        G  14  -6.282  10.403  10.522
  154    H4*    G  14           H4*        G  14  -3.836  10.473  10.255
  155    H3*    G  14           H3*        G  14  -5.375   8.211  10.976
  156    H1*    G  14           H1*        G  14  -1.815   9.009  12.484
  157    H8     G  14           H8         G  14  -4.965   9.139  14.754
  158    H1     G  14           H1         G  14   0.597   9.260  17.846
  159   1H2     G  14          H21         G  14   2.013   9.153  14.663
  160   2H2     G  14          H22         G  14   2.273   9.205  16.392
  161   1H2*    G  14          1H2*        G  14  -4.452   7.708  12.988
  162   2H2*    G  14          2H2*        G  14  -3.053   7.136  12.036
  163   1H5*    A  15          1H5*        A  15  -0.732   8.271  10.087
  164   2H5*    A  15          2H5*        A  15  -0.596   7.061   8.794
  165    H4*    A  15           H4*        A  15   1.506   7.119   9.951
  166    H3*    A  15           H3*        A  15  -0.138   4.799   9.855
  167    H1*    A  15           H1*        A  15   2.062   5.848  12.985
  168    H8     A  15           H8         A  15  -1.827   5.869  13.122
  169   1H6     A  15          1H6         A  15  -1.182   6.251  19.221
  170   2H6     A  15          2H6         A  15  -2.321   6.199  17.894
  171    H2     A  15           H2         A  15   2.929   6.092  17.397
  172   1H2*    A  15          1H2*        A  15  -0.316   4.315  12.052
  173   2H2*    A  15          2H2*        A  15   1.418   3.894  11.982
  174   1H5*    C  16          1H5*        C  16   4.139   5.048  11.090
  175   2H5*    C  16          2H5*        C  16   5.146   3.843  10.261
  176    H4*    C  16           H4*        C  16   6.167   4.340  12.387
  177    H3*    C  16           H3*        C  16   5.261   1.717  11.630
  178    H1*    C  16           H1*        C  16   5.392   3.315  15.211
  179   1H4     C  16          H41         C  16   0.339   2.345  18.779
  180   2H4     C  16          H42         C  16  -0.776   2.704  17.502
  181    H5     C  16           H5         C  16  -0.005   2.780  15.120
  182    H6     C  16           H6         C  16   2.012   3.032  13.730
  183   1H2*    C  16          1H2*        C  16   3.851   1.405  13.435
  184   2H2*    C  16          2H2*        C  16   5.344   1.132  14.345
  185   1H5*  8OG  17          1H5*      8OG  17   8.285   2.266  15.395
  186   2H5*  8OG  17          2H5*      8OG  17   9.474   0.982  15.100
  187    H4*  8OG  17           H4*      8OG  17   9.132   1.274  17.501
  188    H3*  8OG  17           H3*      8OG  17   8.791  -1.182  16.097
  189   1H2*  8OG  17          1H2*      8OG  17   6.652  -1.638  16.698
  190   2H2*  8OG  17          2H2*      8OG  17   7.360  -2.060  18.284
  191    H1*  8OG  17           H1*      8OG  17   6.793   0.006  19.211
  192    H1   8OG  17           H1       8OG  17   1.591  -0.963  14.510
  193    H7   8OG  17           H7       8OG  17   2.194   0.076  19.364
  194   1H2   8OG  17          1H2       8OG  17   4.811  -1.187  13.188
  195   2H2   8OG  17          2H2       8OG  17   3.088  -1.284  12.901
  196   1H5*    C  18          1H5*        C  18   9.098  -0.993  20.819
  197   2H5*    C  18          2H5*        C  18  10.142  -2.333  21.339
  198    H4*    C  18           H4*        C  18   8.326  -1.987  22.958
  199    H3*    C  18           H3*        C  18   9.027  -4.421  21.779
  200    H1*    C  18           H1*        C  18   5.376  -3.363  22.418
  201   1H4     C  18          H41         C  18   2.675  -3.572  16.386
  202   2H4     C  18          H42         C  18   1.414  -3.041  17.477
  203    H5     C  18           H5         C  18   4.954  -3.977  17.111
  204    H6     C  18           H6         C  18   6.491  -3.878  18.948
  205   1H2*    C  18          1H2*        C  18   7.230  -4.657  20.425
  206   2H2*    C  18          2H2*        C  18   6.466  -5.331  21.842
  207   1H5*    A  19          1H5*        A  19   5.877  -5.032  25.576
  208   2H5*    A  19          2H5*        A  19   6.585  -6.465  26.350
  209    H4*    A  19           H4*        A  19   4.143  -6.596  26.427
  210    H3*    A  19           H3*        A  19   5.834  -8.565  25.331
  211    H1*    A  19           H1*        A  19   2.379  -7.683  23.971
  212    H8     A  19           H8         A  19   5.339  -7.257  21.539
  213   1H6     A  19          1H6         A  19   1.130  -5.693  17.329
  214   2H6     A  19          2H6         A  19   2.824  -6.030  17.609
  215    H2     A  19           H2         A  19  -0.972  -6.225  21.263
  216   1H2*    A  19          1H2*        A  19   5.104  -8.578  23.203
  217   2H2*    A  19          2H2*        A  19   3.732  -9.505  23.882
  218   1H5*    C  20          1H5*        C  20   1.487  -9.350  26.768
  219   2H5*    C  20          2H5*        C  20   1.150 -11.015  27.284
  220    H4*    C  20           H4*        C  20  -0.803  -9.976  26.176
  221    H3*    C  20           H3*        C  20   0.335 -12.509  25.583
  222    H1*    C  20           H1*        C  20  -1.237 -10.055  22.977
  223   1H4     C  20          H41         C  20   3.842  -9.714  18.732
  224   2H4     C  20          H42         C  20   2.444  -9.046  17.918
  225    H5     C  20           H5         C  20   3.766 -10.535  21.013
  226    H6     C  20           H6         C  20   2.418 -10.772  22.990
  227   1H2*    C  20          1H2*        C  20   0.903 -12.114  23.375
  228   2H2*    C  20          2H2*        C  20  -0.856 -12.332  23.097
  229   1H5*    T  21          1H5*        T  21  -3.346 -10.722  24.034
  230   2H5*    T  21          2H5*        T  21  -4.794 -11.722  24.261
  231    H4*    T  21           H4*        T  21  -5.028 -10.099  22.401
  232    H3*    T  21           H3*        T  21  -5.588 -12.894  22.314
  233   1H2*    T  21          1H2*        T  21  -4.249 -13.465  20.565
  234   2H2*    T  21          2H2*        T  21  -5.464 -12.625  19.563
  235    H1*    T  21           H1*        T  21  -4.183 -10.716  19.398
  236    H3     T  21           H3         T  21  -1.274 -12.667  16.523
  237   1H5M    T  21          H51         T  21   1.100 -12.532  21.187
  238   2H5M    T  21          H52         T  21   0.372 -14.152  21.272
  239   3H5M    T  21          H53         T  21   1.562 -13.775  20.002
  240    H6     T  21           H6         T  21  -1.612 -12.287  21.287
  241   1H5*    G  22          1H5*        G  22  -6.766 -12.500  18.104
  242   2H5*    G  22          2H5*        G  22  -6.303 -10.854  18.577
  243    H4*    G  22           H4*        G  22  -8.019  -9.941  17.048
  244    H3*    G  22           H3*        G  22  -9.125 -12.512  17.177
  245    H1*    G  22           H1*        G  22  -6.859 -11.517  13.937
  246    H8     G  22           H8         G  22  -5.834 -13.757  16.948
  247    H1     G  22           H1         G  22  -2.408 -14.603  11.650
  248   1H2     G  22          H21         G  22  -4.523 -12.223  10.252
  249   2H2     G  22          H22         G  22  -3.194 -13.338  10.006
  250    H3T    G  22           H3T        G  22  -9.485 -10.300  15.419
  251   1H2*    G  22          1H2*        G  22  -8.026 -13.655  15.551
  252   2H2*    G  22          2H2*        G  22  -8.823 -12.572  14.374
  Start of MODEL    7
    1   1H5*    C   1          1H5*        C   1   0.471 -14.814   4.864
    2   2H5*    C   1          2H5*        C   1   1.878 -13.746   4.689
    3    H4*    C   1           H4*        C   1  -0.217 -12.455   4.708
    4    H3*    C   1           H3*        C   1   2.049 -11.982   6.320
    5    H1*    C   1           H1*        C   1  -1.658 -11.702   7.731
    6   1H4     C   1          H41         C   1  -0.990 -16.500  12.263
    7   2H4     C   1          H42         C   1  -2.251 -15.430  12.836
    8    H5     C   1           H5         C   1   0.232 -16.122  10.220
    9    H6     C   1           H6         C   1   0.495 -14.629   8.290
   10   1H2*    C   1          1H2*        C   1   1.175 -12.237   8.404
   11   2H2*    C   1          2H2*        C   1   0.343 -10.693   8.097
   12    H5T    C   1           H5T        C   1   2.141 -13.894   6.971
   13   1H5*    A   2          1H5*        A   2  -1.360  -9.408   6.217
   14   2H5*    A   2          2H5*        A   2  -1.193  -7.652   6.018
   15    H4*    A   2           H4*        A   2  -3.109  -8.268   7.475
   16    H3*    A   2           H3*        A   2  -1.089  -6.354   7.997
   17    H1*    A   2           H1*        A   2  -2.693  -8.695  10.720
   18    H8     A   2           H8         A   2   1.080  -9.331   9.757
   19   1H6     A   2          1H6         A   2   1.346 -12.502  15.031
   20   2H6     A   2          2H6         A   2   2.248 -11.970  13.629
   21    H2     A   2           H2         A   2  -2.831 -10.927  14.579
   22   1H2*    A   2          1H2*        A   2  -0.197  -7.245   9.887
   23   2H2*    A   2          2H2*        A   2  -1.667  -6.624  10.679
   24   1H5*    G   3          1H5*        G   3  -4.815  -7.865  10.234
   25   2H5*    G   3          2H5*        G   3  -5.791  -6.393  10.072
   26    H4*    G   3           H4*        G   3  -6.786  -7.829  11.744
   27    H3*    G   3           H3*        G   3  -6.061  -5.168  12.194
   28    H1*    G   3           H1*        G   3  -5.448  -7.988  14.908
   29    H8     G   3           H8         G   3  -2.533  -6.858  12.724
   30    H1     G   3           H1         G   3  -0.820  -9.211  18.386
   31   1H2     G   3          H21         G   3  -4.252  -9.519  18.919
   32   2H2     G   3          H22         G   3  -2.636  -9.749  19.549
   33   1H2*    G   3          1H2*        G   3  -4.445  -5.437  13.773
   34   2H2*    G   3          2H2*        G   3  -5.816  -5.734  14.880
   35   1H5*    T   4          1H5*        T   4  -8.263  -7.468  15.808
   36   2H5*    T   4          2H5*        T   4  -9.583  -6.345  16.200
   37    H4*    T   4           H4*        T   4  -8.779  -7.356  18.253
   38    H3*    T   4           H3*        T   4  -8.915  -4.576  17.782
   39   1H2*    T   4          1H2*        T   4  -6.677  -4.097  17.869
   40   2H2*    T   4          2H2*        T   4  -6.886  -4.213  19.617
   41    H1*    T   4           H1*        T   4  -5.995  -6.401  19.801
   42    H3     T   4           H3         T   4  -1.614  -6.424  18.969
   43   1H5M    T   4          H51         T   4  -3.298  -2.691  15.861
   44   2H5M    T   4          H52         T   4  -2.031  -3.757  15.209
   45   3H5M    T   4          H53         T   4  -3.730  -4.002  14.742
   46    H6     T   4           H6         T   4  -5.354  -4.505  16.672
   47   1H5*    G   5          1H5*        G   5  -7.545  -6.430  22.049
   48   2H5*    G   5          2H5*        G   5  -8.532  -5.501  23.194
   49    H4*    G   5           H4*        G   5  -6.415  -6.034  24.244
   50    H3*    G   5           H3*        G   5  -7.368  -3.377  23.847
   51    H1*    G   5           H1*        G   5  -3.646  -4.543  23.800
   52    H8     G   5           H8         G   5  -5.039  -3.216  20.405
   53    H1     G   5           H1         G   5   1.290  -3.843  20.710
   54   1H2     G   5          H21         G   5   0.732  -4.904  23.973
   55   2H2     G   5          H22         G   5   1.893  -4.552  22.712
   56   1H2*    G   5          1H2*        G   5  -5.572  -2.524  22.707
   57   2H2*    G   5          2H2*        G   5  -4.741  -2.580  24.292
   58   1H5*  2AR   6          1H5*      2AR   6  -3.610  -4.321  26.771
   59   2H5*  2AR   6          2H5*      2AR   6  -3.949  -3.327  28.201
   60    H4*  2AR   6           H4*      2AR   6  -1.536  -3.393  27.762
   61    H1*  2AR   6           H1*      2AR   6  -0.107  -1.232  25.652
   62    H2   2AR   6           H2       2AR   6   2.760  -0.510  22.316
   63   1H6   2AR   6          1H6       2AR   6   0.077   0.095  18.778
   64   2H6   2AR   6          2H6       2AR   6  -1.569  -0.074  19.347
   65    H8   2AR   6           H8       2AR   6  -3.469  -0.961  23.666
   66   2H2*  2AR   6          2H2*      2AR   6  -1.423   0.454  26.610
   67   1H2*  2AR   6          1H2*      2AR   6  -2.941  -0.241  25.988
   68    H3*  2AR   6           H3*      2AR   6  -3.044  -1.067  28.148
   69    HX*  2AR   6           HX*      2AR   6  -0.770  -3.439  25.615
   70   HX**  2AR   6          HX**      2AR   6  -2.399  -3.047  24.998
   71   1H5*    G   7          1H5*        G   7   2.181  -0.690  27.340
   72   2H5*    G   7          2H5*        G   7   2.256   0.253  28.841
   73    H4*    G   7           H4*        G   7   3.900   1.175  27.369
   74    H3*    G   7           H3*        G   7   1.649   2.694  28.255
   75    H1*    G   7           H1*        G   7   3.553   2.982  24.890
   76    H8     G   7           H8         G   7  -0.270   2.594  24.458
   77    H1     G   7           H1         G   7   2.932   2.433  18.988
   78   1H2     G   7          H21         G   7   5.794   2.463  20.957
   79   2H2     G   7          H22         G   7   5.101   2.423  19.347
   80   1H2*    G   7          1H2*        G   7   0.839   3.282  26.165
   81   2H2*    G   7          2H2*        G   7   2.223   4.414  26.144
   82   1H5*    T   8          1H5*        T   8   5.604   4.792  26.785
   83   2H5*    T   8          2H5*        T   8   5.820   6.345  27.613
   84    H4*    T   8           H4*        T   8   6.579   6.516  25.324
   85    H3*    T   8           H3*        T   8   4.417   8.130  26.373
   86   1H2*    T   8          1H2*        T   8   3.088   8.037  24.549
   87   2H2*    T   8          2H2*        T   8   4.360   8.897  23.647
   88    H1*    T   8           H1*        T   8   5.211   6.961  22.714
   89    H3     T   8           H3         T   8   2.159   5.173  19.895
   90   1H5M    T   8          H51         T   8  -0.343   5.283  24.526
   91   2H5M    T   8          H52         T   8  -0.618   6.936  23.927
   92   3H5M    T   8          H53         T   8  -1.237   5.543  23.008
   93    H6     T   8           H6         T   8   2.028   6.493  24.493
   94   1H5*    C   9          1H5*        C   9   7.087   8.257  23.040
   95   2H5*    C   9          2H5*        C   9   8.017   9.766  22.932
   96    H4*    C   9           H4*        C   9   7.953   8.959  20.729
   97    H3*    C   9           H3*        C   9   6.411  11.272  21.432
   98    H1*    C   9           H1*        C   9   5.594   8.567  18.664
   99   1H4     C   9          H41         C   9  -0.542   7.252  19.032
  100   2H4     C   9          H42         C   9  -0.728   8.243  20.455
  101    H5     C   9           H5         C   9   1.240   8.978  21.792
  102    H6     C   9           H6         C   9   3.623   9.362  21.681
  103   1H2*    C   9          1H2*        C   9   4.455  10.705  20.432
  104   2H2*    C   9          2H2*        C   9   5.336  10.853  18.878
  105   1H5*    A  10          1H5*        A  10   6.804   9.866  17.116
  106   2H5*    A  10          2H5*        A  10   8.061  11.018  16.625
  107    H4*    A  10           H4*        A  10   6.900  10.242  14.667
  108    H3*    A  10           H3*        A  10   7.141  12.945  15.343
  109    H1*    A  10           H1*        A  10   3.708  11.450  13.904
  110    H8     A  10           H8         A  10   4.179  11.452  17.633
  111   1H6     A  10          1H6         A  10  -1.756  13.057  18.109
  112   2H6     A  10          2H6         A  10  -0.327  12.584  19.001
  113    H2     A  10           H2         A  10  -0.616  13.122  13.762
  114   1H2*    A  10          1H2*        A  10   4.961  13.523  15.623
  115   2H2*    A  10          2H2*        A  10   4.864  13.429  13.843
  116   1H5*    C  11          1H5*        C  11   5.215  11.775  11.156
  117   2H5*    C  11          2H5*        C  11   6.157  12.724   9.990
  118    H4*    C  11           H4*        C  11   3.868  12.455   9.189
  119    H3*    C  11           H3*        C  11   5.117  15.012   9.721
  120    H1*    C  11           H1*        C  11   1.249  14.205  10.337
  121   1H4     C  11          H41         C  11   1.874  16.528  16.524
  122   2H4     C  11          H42         C  11   0.183  16.649  16.094
  123    H5     C  11           H5         C  11   3.560  15.704  15.016
  124    H6     C  11           H6         C  11   3.991  14.808  12.783
  125    H3T    C  11           H3T        C  11   4.787  13.958   7.671
  126   1H2*    C  11          1H2*        C  11   3.416  16.146  10.641
  127   2H2*    C  11          2H2*        C  11   2.415  15.776   9.208
  128   1H5*    G  12          1H5*        G  12  -9.209  19.951  17.547
  129   2H5*    G  12          2H5*        G  12 -10.190  18.668  18.283
  130    H4*    G  12           H4*        G  12  -9.560  18.076  15.983
  131    H3*    G  12           H3*        G  12  -8.955  16.506  18.335
  132    H1*    G  12           H1*        G  12  -6.610  16.831  15.129
  133    H8     G  12           H8         G  12  -5.713  18.211  18.648
  134    H1     G  12           H1         G  12  -0.724  16.672  14.994
  135   1H2     G  12          H21         G  12  -3.128  15.684  12.672
  136   2H2     G  12          H22         G  12  -1.430  15.850  13.057
  137   1H2*    G  12          1H2*        G  12  -6.852  15.879  17.897
  138   2H2*    G  12          2H2*        G  12  -7.421  15.132  16.379
  139    H5T    G  12           H5T        G  12  -7.386  18.819  18.624
  140   1H5*    T  13          1H5*        T  13  -9.011  14.898  14.237
  141   2H5*    T  13          2H5*        T  13  -9.733  13.295  13.998
  142    H4*    T  13           H4*        T  13  -7.726  13.672  12.587
  143    H3*    T  13           H3*        T  13  -8.259  11.422  14.246
  144   1H2*    T  13          1H2*        T  13  -6.377  11.391  15.496
  145   2H2*    T  13          2H2*        T  13  -5.538  10.909  13.995
  146    H1*    T  13           H1*        T  13  -4.693  13.011  13.652
  147    H3     T  13           H3         T  13  -1.873  13.911  17.020
  148   1H5M    T  13          H51         T  13  -5.262  13.908  20.170
  149   2H5M    T  13          H52         T  13  -6.655  14.379  19.169
  150   3H5M    T  13          H53         T  13  -6.313  12.658  19.463
  151    H6     T  13           H6         T  13  -6.609  13.174  16.772
  152   1H5*    G  14          1H5*        G  14  -4.459  11.494  11.238
  153   2H5*    G  14          2H5*        G  14  -5.058  10.151  10.244
  154    H4*    G  14           H4*        G  14  -2.612  10.290  10.121
  155    H3*    G  14           H3*        G  14  -4.105   7.992  10.785
  156    H1*    G  14           H1*        G  14  -0.700   8.936  12.563
  157    H8     G  14           H8         G  14  -4.037   9.219  14.507
  158    H1     G  14           H1         G  14   1.196   9.335  18.130
  159   1H2     G  14          H21         G  14   2.895   8.841  15.129
  160   2H2     G  14          H22         G  14   2.998   9.009  16.869
  161   1H2*    G  14          1H2*        G  14  -3.338   7.586  12.887
  162   2H2*    G  14          2H2*        G  14  -1.856   7.021  12.071
  163   1H5*    A  15          1H5*        A  15   0.500   8.391  10.577
  164   2H5*    A  15          2H5*        A  15   0.878   7.317   9.214
  165    H4*    A  15           H4*        A  15   2.847   7.481  10.586
  166    H3*    A  15           H3*        A  15   1.459   5.034  10.131
  167    H1*    A  15           H1*        A  15   3.225   5.979  13.552
  168    H8     A  15           H8         A  15  -0.637   5.994  13.241
  169   1H6     A  15          1H6         A  15  -0.693   4.694  19.253
  170   2H6     A  15          2H6         A  15  -1.680   5.028  17.848
  171    H2     A  15           H2         A  15   3.591   4.868  17.907
  172   1H2*    A  15          1H2*        A  15   1.176   4.291  12.227
  173   2H2*    A  15          2H2*        A  15   2.951   4.106  12.291
  174   1H5*    C  16          1H5*        C  16   5.719   5.075  11.696
  175   2H5*    C  16          2H5*        C  16   6.756   3.830  10.972
  176    H4*    C  16           H4*        C  16   7.272   4.147  13.357
  177    H3*    C  16           H3*        C  16   6.690   1.651  12.069
  178    H1*    C  16           H1*        C  16   5.825   2.728  15.754
  179   1H4     C  16          H41         C  16  -0.743   1.877  16.116
  180   2H4     C  16          H42         C  16  -0.104   1.821  17.744
  181    H5     C  16           H5         C  16   0.647   2.192  14.169
  182    H6     C  16           H6         C  16   2.943   2.446  13.378
  183   1H2*    C  16          1H2*        C  16   4.863   1.083  13.401
  184   2H2*    C  16          2H2*        C  16   6.098   0.696  14.623
  185   1H5*  8OG  17          1H5*      8OG  17   8.761   2.040  16.312
  186   2H5*  8OG  17          2H5*      8OG  17  10.078   0.849  16.344
  187    H4*  8OG  17           H4*      8OG  17   9.184   1.205  18.597
  188    H3*  8OG  17           H3*      8OG  17   9.379  -1.324  17.282
  189   1H2*  8OG  17          1H2*      8OG  17   7.212  -1.974  17.470
  190   2H2*  8OG  17          2H2*      8OG  17   7.609  -2.252  19.190
  191    H1*  8OG  17           H1*      8OG  17   6.685  -0.209  19.845
  192    H1   8OG  17           H1       8OG  17   2.584  -1.618  14.243
  193    H7   8OG  17           H7       8OG  17   2.193  -0.830  19.160
  194   1H2   8OG  17          1H2       8OG  17   4.363  -1.647  12.918
  195   2H2   8OG  17          2H2       8OG  17   5.981  -1.341  13.509
  196   1H5*    C  18          1H5*        C  18   9.063  -1.352  22.334
  197   2H5*    C  18          2H5*        C  18  10.202  -2.680  22.641
  198    H4*    C  18           H4*        C  18   8.298  -2.836  24.178
  199    H3*    C  18           H3*        C  18   9.261  -4.908  22.595
  200    H1*    C  18           H1*        C  18   5.563  -4.326  23.156
  201   1H4     C  18          H41         C  18   3.043  -3.957  17.122
  202   2H4     C  18          H42         C  18   1.706  -3.644  18.210
  203    H5     C  18           H5         C  18   5.333  -4.270  17.916
  204    H6     C  18           H6         C  18   6.801  -4.097  19.767
  205   1H2*    C  18          1H2*        C  18   6.827  -5.985  22.117
  206   2H2*    C  18          2H2*        C  18   7.560  -4.810  21.075
  207   1H5*    A  19          1H5*        A  19   5.407  -6.201  25.818
  208   2H5*    A  19          2H5*        A  19   6.299  -7.632  26.374
  209    H4*    A  19           H4*        A  19   3.920  -8.128  26.383
  210    H3*    A  19           H3*        A  19   5.834  -9.592  24.898
  211    H1*    A  19           H1*        A  19   2.222  -8.958  23.832
  212    H8     A  19           H8         A  19   4.982  -7.742  21.439
  213   1H6     A  19          1H6         A  19   0.437  -5.946  17.708
  214   2H6     A  19          2H6         A  19   2.170  -6.095  17.895
  215    H2     A  19           H2         A  19  -1.416  -7.511  21.495
  216   1H2*    A  19          1H2*        A  19   4.987  -9.365  22.830
  217   2H2*    A  19          2H2*        A  19   3.773 -10.556  23.387
  218   1H5*    C  20          1H5*        C  20   1.726 -11.202  26.271
  219   2H5*    C  20          2H5*        C  20   1.630 -12.960  26.499
  220    H4*    C  20           H4*        C  20  -0.493 -12.047  25.642
  221    H3*    C  20           H3*        C  20   0.973 -14.219  24.529
  222    H1*    C  20           H1*        C  20  -1.114 -11.581  22.532
  223   1H4     C  20          H41         C  20   3.548  -9.726  18.199
  224   2H4     C  20          H42         C  20   2.014  -9.145  17.587
  225    H5     C  20           H5         C  20   3.753 -10.936  20.291
  226    H6     C  20           H6         C  20   2.596 -11.727  22.244
  227   1H2*    C  20          1H2*        C  20   1.311 -13.343  22.418
  228   2H2*    C  20          2H2*        C  20  -0.418 -13.763  22.183
  229   1H5*    T  21          1H5*        T  21  -3.171 -12.981  23.886
  230   2H5*    T  21          2H5*        T  21  -4.453 -14.201  23.762
  231    H4*    T  21           H4*        T  21  -4.949 -12.067  22.556
  232    H3*    T  21           H3*        T  21  -5.200 -14.753  21.560
  233   1H2*    T  21          1H2*        T  21  -4.107 -14.508  19.595
  234   2H2*    T  21          2H2*        T  21  -5.455 -13.447  19.098
  235    H1*    T  21           H1*        T  21  -4.260 -11.534  19.523
  236    H3     T  21           H3         T  21  -1.448 -12.200  16.012
  237   1H5M    T  21          H51         T  21   0.587 -15.018  19.955
  238   2H5M    T  21          H52         T  21   1.655 -14.224  18.772
  239   3H5M    T  21          H53         T  21   1.258 -13.406  20.301
  240    H6     T  21           H6         T  21  -1.485 -13.456  20.633
  241   1H5*    G  22          1H5*        G  22  -6.797 -10.825  20.100
  242   2H5*    G  22          2H5*        G  22  -8.554 -11.005  20.289
  243    H4*    G  22           H4*        G  22  -8.043  -9.108  18.836
  244    H3*    G  22           H3*        G  22  -9.773 -11.249  18.203
  245    H1*    G  22           H1*        G  22  -7.111  -9.865  15.462
  246    H8     G  22           H8         G  22  -6.832 -13.196  17.444
  247    H1     G  22           H1         G  22  -3.537 -13.008  11.997
  248   1H2     G  22          H21         G  22  -4.860  -9.798  11.671
  249   2H2     G  22          H22         G  22  -3.850 -11.053  10.986
  250    H3T    G  22           H3T        G  22  -9.459  -8.587  17.235
  251   1H2*    G  22          1H2*        G  22  -8.875 -12.068  16.286
  252   2H2*    G  22          2H2*        G  22  -9.295 -10.507  15.522
  Start of MODEL    8
    1   1H5*    C   1          1H5*        C   1   1.633 -17.386   7.929
    2   2H5*    C   1          2H5*        C   1   0.614 -18.332   6.825
    3    H4*    C   1           H4*        C   1  -0.320 -16.247   5.892
    4    H3*    C   1           H3*        C   1   1.952 -15.063   7.176
    5    H1*    C   1           H1*        C   1  -1.812 -14.557   8.242
    6   1H4     C   1          H41         C   1  -2.397 -15.269  14.472
    7   2H4     C   1          H42         C   1  -1.178 -16.510  14.537
    8    H5     C   1           H5         C   1   0.330 -16.934  12.616
    9    H6     C   1           H6         C   1   0.548 -16.612  10.185
   10   1H2*    C   1          1H2*        C   1   1.016 -14.422   9.131
   11   2H2*    C   1          2H2*        C   1   0.059 -13.263   8.173
   12    H5T    C   1           H5T        C   1   2.749 -18.052   6.048
   13   1H5*    A   2          1H5*        A   2  -1.449 -12.486   5.906
   14   2H5*    A   2          2H5*        A   2  -1.121 -10.809   5.428
   15    H4*    A   2           H4*        A   2  -3.029 -11.038   7.029
   16    H3*    A   2           H3*        A   2  -0.832  -9.219   7.169
   17    H1*    A   2           H1*        A   2  -2.661 -10.888  10.200
   18    H8     A   2           H8         A   2   1.122 -11.870   9.620
   19   1H6     A   2          1H6         A   2   0.919 -13.864  15.441
   20   2H6     A   2          2H6         A   2   1.929 -13.656  14.027
   21    H2     A   2           H2         A   2  -3.159 -12.314  14.377
   22   1H2*    A   2          1H2*        A   2  -0.050  -9.761   9.231
   23   2H2*    A   2          2H2*        A   2  -1.502  -8.926   9.844
   24   1H5*    G   3          1H5*        G   3  -4.520  -9.870   9.683
   25   2H5*    G   3          2H5*        G   3  -5.453  -8.399   9.353
   26    H4*    G   3           H4*        G   3  -6.326  -9.450  11.337
   27    H3*    G   3           H3*        G   3  -5.350  -6.800  11.281
   28    H1*    G   3           H1*        G   3  -4.946  -9.260  14.332
   29    H8     G   3           H8         G   3  -1.920  -9.001  12.056
   30    H1     G   3           H1         G   3  -0.512  -9.871  18.208
   31   1H2     G   3          H21         G   3  -3.916  -9.402  18.729
   32   2H2     G   3          H22         G   3  -2.340  -9.673  19.449
   33   1H2*    G   3          1H2*        G   3  -3.734  -6.959  12.871
   34   2H2*    G   3          2H2*        G   3  -5.093  -6.989  14.030
   35   1H5*    T   4          1H5*        T   4  -7.424  -8.623  15.438
   36   2H5*    T   4          2H5*        T   4  -8.775  -7.472  15.360
   37    H4*    T   4           H4*        T   4  -8.290  -7.923  17.689
   38    H3*    T   4           H3*        T   4  -8.324  -5.360  16.540
   39   1H2*    T   4          1H2*        T   4  -6.083  -4.878  16.692
   40   2H2*    T   4          2H2*        T   4  -6.464  -4.484  18.368
   41    H1*    T   4           H1*        T   4  -5.647  -6.521  19.263
   42    H3     T   4           H3         T   4  -1.198  -6.662  18.914
   43   1H5M    T   4          H51         T   4  -2.461  -6.068  13.966
   44   2H5M    T   4          H52         T   4  -2.934  -4.416  14.426
   45   3H5M    T   4          H53         T   4  -1.246  -4.946  14.618
   46    H6     T   4           H6         T   4  -4.685  -5.654  15.785
   47   1H5*    G   5          1H5*        G   5  -7.412  -6.131  21.037
   48   2H5*    G   5          2H5*        G   5  -8.550  -5.122  21.952
   49    H4*    G   5           H4*        G   5  -6.514  -5.490  23.250
   50    H3*    G   5           H3*        G   5  -7.593  -2.937  22.581
   51    H1*    G   5           H1*        G   5  -3.786  -3.803  22.922
   52    H8     G   5           H8         G   5  -5.105  -2.982  19.354
   53    H1     G   5           H1         G   5   1.210  -2.555  20.082
   54   1H2     G   5          H21         G   5   0.569  -3.365  23.411
   55   2H2     G   5          H22         G   5   1.759  -2.962  22.195
   56   1H2*    G   5          1H2*        G   5  -5.769  -2.008  21.587
   57   2H2*    G   5          2H2*        G   5  -5.085  -1.939  23.237
   58   1H5*  2AR   6          1H5*      2AR   6  -4.404  -3.632  25.974
   59   2H5*  2AR   6          2H5*      2AR   6  -4.891  -2.670  27.385
   60    H4*  2AR   6           H4*      2AR   6  -2.441  -2.816  27.240
   61    H1*  2AR   6           H1*      2AR   6  -0.751  -0.570  25.388
   62    H2   2AR   6           H2       2AR   6   2.458   0.384  22.455
   63   1H6   2AR   6          1H6       2AR   6   0.179   1.189  18.674
   64   2H6   2AR   6          2H6       2AR   6  -1.517   0.970  19.042
   65    H8   2AR   6           H8       2AR   6  -3.880  -0.223  23.057
   66   2H2*  2AR   6          2H2*      2AR   6  -2.170   1.093  26.253
   67   1H2*  2AR   6          1H2*      2AR   6  -3.611   0.408  25.455
   68    H3*  2AR   6           H3*      2AR   6  -3.912  -0.473  27.581
   69    HX*  2AR   6           HX*      2AR   6  -1.404  -2.767  25.205
   70   HX**  2AR   6          HX**      2AR   6  -2.950  -2.350  24.414
   71   1H5*    G   7          1H5*        G   7   1.134  -0.379  26.887
   72   2H5*    G   7          2H5*        G   7   1.355   0.384  28.474
   73    H4*    G   7           H4*        G   7   3.126   1.181  27.088
   74    H3*    G   7           H3*        G   7   1.162   2.939  28.157
   75    H1*    G   7           H1*        G   7   3.053   3.284  24.813
   76    H8     G   7           H8         G   7  -0.791   3.296  24.363
   77    H1     G   7           H1         G   7   2.440   3.741  18.922
   78   1H2     G   7          H21         G   7   5.277   3.313  20.882
   79   2H2     G   7          H22         G   7   4.604   3.557  19.283
   80   1H2*    G   7          1H2*        G   7   0.384   3.764  26.131
   81   2H2*    G   7          2H2*        G   7   1.872   4.746  26.191
   82   1H5*    T   8          1H5*        T   8   5.046   4.001  25.893
   83   2H5*    T   8          2H5*        T   8   5.902   5.135  26.956
   84    H4*    T   8           H4*        T   8   6.634   5.597  24.750
   85    H3*    T   8           H3*        T   8   5.072   7.525  26.195
   86   1H2*    T   8          1H2*        T   8   3.611   8.073  24.565
   87   2H2*    T   8          2H2*        T   8   4.996   8.774  23.689
   88    H1*    T   8           H1*        T   8   5.230   6.957  22.309
   89    H3     T   8           H3         T   8   1.626   6.536  19.650
   90   1H5M    T   8          H51         T   8  -1.320   6.613  23.210
   91   2H5M    T   8          H52         T   8  -0.331   5.872  24.491
   92   3H5M    T   8          H53         T   8  -0.388   7.643  24.323
   93    H6     T   8           H6         T   8   2.195   6.683  24.412
   94   1H5*    C   9          1H5*        C   9   7.272   7.683  22.484
   95   2H5*    C   9          2H5*        C   9   8.516   8.949  22.454
   96    H4*    C   9           H4*        C   9   7.850   8.651  20.200
   97    H3*    C   9           H3*        C   9   7.265  11.072  21.604
   98    H1*    C   9           H1*        C   9   5.108   9.404  18.734
   99   1H4     C   9          H41         C   9  -0.524   9.873  22.190
  100   2H4     C   9          H42         C   9  -0.963   9.549  20.526
  101    H5     C   9           H5         C   9   1.798  10.072  22.922
  102    H6     C   9           H6         C   9   4.115   9.844  22.253
  103   1H2*    C   9          1H2*        C   9   5.051  11.243  21.106
  104   2H2*    C   9          2H2*        C   9   5.588  11.569  19.426
  105   1H5*    A  10          1H5*        A  10   8.359  10.854  16.754
  106   2H5*    A  10          2H5*        A  10   9.345  12.327  16.682
  107    H4*    A  10           H4*        A  10   8.414  11.784  14.489
  108    H3*    A  10           H3*        A  10   8.298  14.271  15.709
  109    H1*    A  10           H1*        A  10   5.010  12.758  13.956
  110    H8     A  10           H8         A  10   5.718  12.305  17.661
  111   1H6     A  10          1H6         A  10  -0.403  12.236  18.464
  112   2H6     A  10          2H6         A  10   1.143  12.067  19.263
  113    H2     A  10           H2         A  10   0.446  13.022  14.123
  114   1H2*    A  10          1H2*        A  10   6.072  14.481  16.120
  115   2H2*    A  10          2H2*        A  10   5.947  14.806  14.368
  116   1H5*    C  11          1H5*        C  11   6.379  13.737  11.423
  117   2H5*    C  11          2H5*        C  11   6.973  15.091  10.441
  118    H4*    C  11           H4*        C  11   4.686  14.500   9.797
  119    H3*    C  11           H3*        C  11   5.495  17.112  10.769
  120    H1*    C  11           H1*        C  11   1.953  15.394  11.435
  121   1H4     C  11          H41         C  11   2.658  16.565  17.931
  122   2H4     C  11          H42         C  11   0.951  16.342  17.628
  123    H5     C  11           H5         C  11   4.325  16.487  16.197
  124    H6     C  11           H6         C  11   4.718  16.185  13.802
  125    H3T    C  11           H3T        C  11   3.626  16.254   8.791
  126   1H2*    C  11          1H2*        C  11   3.711  17.669  12.010
  127   2H2*    C  11          2H2*        C  11   2.655  17.374  10.600
  128   1H5*    G  12          1H5*        G  12  -8.351  19.637  19.837
  129   2H5*    G  12          2H5*        G  12  -9.317  18.261  20.411
  130    H4*    G  12           H4*        G  12  -8.811  18.032  18.020
  131    H3*    G  12           H3*        G  12  -8.072  16.111  20.065
  132    H1*    G  12           H1*        G  12  -5.916  16.941  16.811
  133    H8     G  12           H8         G  12  -4.869  17.762  20.456
  134    H1     G  12           H1         G  12  -0.035  16.634  16.460
  135   1H2     G  12          H21         G  12  -2.534  16.011  14.110
  136   2H2     G  12          H22         G  12  -0.820  16.090  14.454
  137   1H2*    G  12          1H2*        G  12  -6.048  15.490  19.347
  138   2H2*    G  12          2H2*        G  12  -6.747  15.071  17.760
  139    H5T    G  12           H5T        G  12  -6.496  18.339  20.630
  140   1H5*    T  13          1H5*        T  13  -8.462  15.277  15.773
  141   2H5*    T  13          2H5*        T  13  -9.351  13.801  15.348
  142    H4*    T  13           H4*        T  13  -7.517  14.269  13.766
  143    H3*    T  13           H3*        T  13  -7.964  11.809  15.153
  144   1H2*    T  13          1H2*        T  13  -5.907  11.479  16.022
  145   2H2*    T  13          2H2*        T  13  -5.365  11.230  14.337
  146    H1*    T  13           H1*        T  13  -4.459  13.327  14.190
  147    H3     T  13           H3         T  13  -1.015  13.367  17.062
  148   1H5M    T  13          H51         T  13  -5.179  13.991  20.157
  149   2H5M    T  13          H52         T  13  -5.175  12.216  20.054
  150   3H5M    T  13          H53         T  13  -3.780  13.070  20.753
  151    H6     T  13           H6         T  13  -5.778  13.135  17.603
  152   1H5*    G  14          1H5*        G  14  -5.620  11.605  11.297
  153   2H5*    G  14          2H5*        G  14  -6.038  10.230  10.255
  154    H4*    G  14           H4*        G  14  -3.622  10.738  10.169
  155    H3*    G  14           H3*        G  14  -4.803   8.203  10.685
  156    H1*    G  14           H1*        G  14  -1.509   9.528  12.394
  157    H8     G  14           H8         G  14  -4.717   9.116  14.552
  158    H1     G  14           H1         G  14   0.727   9.436  17.837
  159   1H2     G  14          H21         G  14   2.238   9.699  14.707
  160   2H2     G  14          H22         G  14   2.442   9.631  16.443
  161   1H2*    G  14          1H2*        G  14  -3.875   7.733  12.700
  162   2H2*    G  14          2H2*        G  14  -2.359   7.489  11.787
  163   1H5*    A  15          1H5*        A  15  -0.193   8.842   9.931
  164   2H5*    A  15          2H5*        A  15   0.222   7.659   8.675
  165    H4*    A  15           H4*        A  15   2.153   7.993  10.091
  166    H3*    A  15           H3*        A  15   0.847   5.466   9.764
  167    H1*    A  15           H1*        A  15   2.599   6.735  13.068
  168    H8     A  15           H8         A  15  -1.243   6.204  12.916
  169   1H6     A  15          1H6         A  15  -1.014   6.077  19.069
  170   2H6     A  15          2H6         A  15  -2.062   5.996  17.671
  171    H2     A  15           H2         A  15   3.171   6.631  17.528
  172   1H2*    A  15          1H2*        A  15   0.589   4.863  11.916
  173   2H2*    A  15          2H2*        A  15   2.369   4.736  11.984
  174   1H5*    C  16          1H5*        C  16   5.076   5.950  11.374
  175   2H5*    C  16          2H5*        C  16   6.204   4.740  10.733
  176    H4*    C  16           H4*        C  16   6.746   5.288  13.061
  177    H3*    C  16           H3*        C  16   6.315   2.658  12.016
  178    H1*    C  16           H1*        C  16   5.426   3.981  15.615
  179   1H4     C  16          H41         C  16  -1.073   2.761  16.157
  180   2H4     C  16          H42         C  16  -0.427   2.946  17.773
  181    H5     C  16           H5         C  16   0.285   2.916  14.174
  182    H6     C  16           H6         C  16   2.541   3.274  13.323
  183   1H2*    C  16          1H2*        C  16   4.546   2.088  13.424
  184   2H2*    C  16          2H2*        C  16   5.824   1.886  14.650
  185   1H5*  8OG  17          1H5*      8OG  17   8.768   3.064  16.337
  186   2H5*  8OG  17          2H5*      8OG  17  10.027   1.846  16.045
  187    H4*  8OG  17           H4*      8OG  17   9.410   1.848  18.405
  188    H3*  8OG  17           H3*      8OG  17   9.292  -0.431  16.702
  189   1H2*  8OG  17          1H2*      8OG  17   7.105  -0.969  16.977
  190   2H2*  8OG  17          2H2*      8OG  17   7.625  -1.576  18.575
  191    H1*  8OG  17           H1*      8OG  17   6.902   0.359  19.665
  192    H1   8OG  17           H1       8OG  17   2.339  -0.251  14.296
  193    H7   8OG  17           H7       8OG  17   2.324   0.472  19.242
  194   1H2   8OG  17          1H2       8OG  17   5.700  -0.393  13.376
  195   2H2   8OG  17          2H2       8OG  17   4.027  -0.474  12.871
  196   1H5*    C  18          1H5*        C  18   9.239  -0.929  21.437
  197   2H5*    C  18          2H5*        C  18  10.248  -2.337  21.834
  198    H4*    C  18           H4*        C  18   8.308  -2.249  23.326
  199    H3*    C  18           H3*        C  18   9.092  -4.466  21.801
  200    H1*    C  18           H1*        C  18   5.421  -3.462  22.405
  201   1H4     C  18          H41         C  18   3.011  -2.836  16.287
  202   2H4     C  18          H42         C  18   1.699  -2.457  17.382
  203    H5     C  18           H5         C  18   5.267  -3.305  17.051
  204    H6     C  18           H6         C  18   6.715  -3.471  18.960
  205   1H2*    C  18          1H2*        C  18   7.369  -4.479  20.340
  206   2H2*    C  18          2H2*        C  18   6.523  -5.343  21.598
  207   1H5*    A  19          1H5*        A  19   6.001  -5.988  25.625
  208   2H5*    A  19          2H5*        A  19   6.787  -7.562  25.871
  209    H4*    A  19           H4*        A  19   4.365  -7.802  26.068
  210    H3*    A  19           H3*        A  19   5.980  -9.236  24.220
  211    H1*    A  19           H1*        A  19   2.359  -8.134  23.653
  212    H8     A  19           H8         A  19   5.047  -6.901  21.171
  213   1H6     A  19          1H6         A  19   0.386  -4.552  17.922
  214   2H6     A  19          2H6         A  19   2.116  -4.819  17.969
  215    H2     A  19           H2         A  19  -1.299  -6.280  21.711
  216   1H2*    A  19          1H2*        A  19   4.927  -8.754  22.306
  217   2H2*    A  19          2H2*        A  19   3.646  -9.846  22.912
  218   1H5*    C  20          1H5*        C  20   2.052 -10.542  26.043
  219   2H5*    C  20          2H5*        C  20   1.752 -12.281  26.227
  220    H4*    C  20           H4*        C  20  -0.343 -11.071  25.813
  221    H3*    C  20           H3*        C  20   0.620 -13.301  24.314
  222    H1*    C  20           H1*        C  20  -1.469 -10.296  22.950
  223   1H4     C  20          H41         C  20   0.814  -7.842  17.608
  224   2H4     C  20          H42         C  20   2.261  -8.811  17.701
  225    H5     C  20           H5         C  20   2.892  -9.996  19.786
  226    H6     C  20           H6         C  20   2.055 -10.841  21.873
  227   1H2*    C  20          1H2*        C  20   0.632 -12.307  22.227
  228   2H2*    C  20          2H2*        C  20  -1.151 -12.505  22.339
  229   1H5*    T  21          1H5*        T  21  -3.536 -11.863  23.674
  230   2H5*    T  21          2H5*        T  21  -4.686 -13.143  24.114
  231    H4*    T  21           H4*        T  21  -5.576 -11.638  22.358
  232    H3*    T  21           H3*        T  21  -5.466 -14.494  22.277
  233   1H2*    T  21          1H2*        T  21  -4.433 -14.800  20.293
  234   2H2*    T  21          2H2*        T  21  -5.926 -14.157  19.547
  235    H1*    T  21           H1*        T  21  -4.986 -12.099  19.183
  236    H3     T  21           H3         T  21  -1.984 -13.437  16.070
  237   1H5M    T  21          H51         T  21   0.106 -14.741  20.762
  238   2H5M    T  21          H52         T  21   1.132 -14.464  19.333
  239   3H5M    T  21          H53         T  21   0.755 -13.116  20.431
  240    H6     T  21           H6         T  21  -2.062 -13.316  20.853
  241   1H5*    G  22          1H5*        G  22  -8.489 -12.196  19.503
  242   2H5*    G  22          2H5*        G  22 -10.056 -12.972  19.809
  243    H4*    G  22           H4*        G  22  -9.944 -12.129  17.514
  244    H3*    G  22           H3*        G  22 -10.425 -14.898  18.250
  245    H1*    G  22           H1*        G  22  -8.321 -13.705  15.008
  246    H8     G  22           H8         G  22  -7.059 -15.780  18.058
  247    H1     G  22           H1         G  22  -3.533 -16.222  12.772
  248   1H2     G  22          H21         G  22  -5.801 -13.945  11.435
  249   2H2     G  22          H22         G  22  -4.335 -14.874  11.193
  250    H3T    G  22           H3T        G  22 -11.380 -13.234  16.126
  251   1H2*    G  22          1H2*        G  22  -9.231 -15.964  16.652
  252   2H2*    G  22          2H2*        G  22 -10.114 -15.053  15.397
  Start of MODEL    9
    1   1H5*    C   1          1H5*        C   1   3.121 -14.379   5.945
    2   2H5*    C   1          2H5*        C   1   3.861 -12.814   5.549
    3    H4*    C   1           H4*        C   1   1.402 -12.702   5.412
    4    H3*    C   1           H3*        C   1   3.090 -10.961   6.898
    5    H1*    C   1           H1*        C   1  -0.455 -12.207   8.149
    6   1H4     C   1          H41         C   1   1.735 -14.982  13.761
    7   2H4     C   1          H42         C   1   0.049 -14.588  14.007
    8    H5     C   1           H5         C   1   2.919 -14.492  11.717
    9    H6     C   1           H6         C   1   2.723 -13.521   9.473
   10   1H2*    C   1          1H2*        C   1   2.196 -11.168   8.971
   11   2H2*    C   1          2H2*        C   1   0.779 -10.306   8.315
   12    H5T    C   1           H5T        C   1   3.954 -12.451   7.858
   13   1H5*    A   2          1H5*        A   2  -1.262  -9.546   6.251
   14   2H5*    A   2          2H5*        A   2  -1.333  -7.798   5.954
   15    H4*    A   2           H4*        A   2  -3.121  -8.520   7.484
   16    H3*    A   2           H3*        A   2  -1.247  -6.430   7.965
   17    H1*    A   2           H1*        A   2  -2.761  -8.826  10.662
   18    H8     A   2           H8         A   2   1.119  -9.141   9.983
   19   1H6     A   2          1H6         A   2   1.254 -12.192  15.331
   20   2H6     A   2          2H6         A   2   2.209 -11.601  13.989
   21    H2     A   2           H2         A   2  -3.002 -11.010  14.527
   22   1H2*    A   2          1H2*        A   2  -0.352  -7.191   9.911
   23   2H2*    A   2          2H2*        A   2  -1.899  -6.683  10.638
   24   1H5*    G   3          1H5*        G   3  -5.055  -7.910  10.254
   25   2H5*    G   3          2H5*        G   3  -6.033  -6.445  10.053
   26    H4*    G   3           H4*        G   3  -6.980  -7.773  11.824
   27    H3*    G   3           H3*        G   3  -6.162  -5.111  12.158
   28    H1*    G   3           H1*        G   3  -5.603  -7.881  14.938
   29    H8     G   3           H8         G   3  -2.700  -6.796  12.725
   30    H1     G   3           H1         G   3  -0.951  -9.180  18.366
   31   1H2     G   3          H21         G   3  -4.380  -9.431  18.945
   32   2H2     G   3          H22         G   3  -2.760  -9.686  19.553
   33   1H2*    G   3          1H2*        G   3  -4.556  -5.372  13.742
   34   2H2*    G   3          2H2*        G   3  -5.926  -5.618  14.863
   35   1H5*    T   4          1H5*        T   4  -8.278  -7.425  15.757
   36   2H5*    T   4          2H5*        T   4  -9.626  -6.341  16.159
   37    H4*    T   4           H4*        T   4  -8.837  -7.413  18.193
   38    H3*    T   4           H3*        T   4  -9.056  -4.627  17.817
   39   1H2*    T   4          1H2*        T   4  -6.833  -4.077  17.924
   40   2H2*    T   4          2H2*        T   4  -7.047  -4.243  19.667
   41    H1*    T   4           H1*        T   4  -6.080  -6.399  19.805
   42    H3     T   4           H3         T   4  -1.700  -6.318  18.933
   43   1H5M    T   4          H51         T   4  -3.568  -2.590  15.868
   44   2H5M    T   4          H52         T   4  -2.193  -3.547  15.268
   45   3H5M    T   4          H53         T   4  -3.846  -3.931  14.736
   46    H6     T   4           H6         T   4  -5.499  -4.416  16.720
   47   1H5*    G   5          1H5*        G   5  -7.720  -6.411  22.073
   48   2H5*    G   5          2H5*        G   5  -8.662  -5.492  23.264
   49    H4*    G   5           H4*        G   5  -6.472  -5.997  24.185
   50    H3*    G   5           H3*        G   5  -7.501  -3.345  23.854
   51    H1*    G   5           H1*        G   5  -3.774  -4.479  23.659
   52    H8     G   5           H8         G   5  -5.311  -3.016  20.380
   53    H1     G   5           H1         G   5   1.029  -3.624  20.400
   54   1H2     G   5          H21         G   5   0.603  -4.846  23.629
   55   2H2     G   5          H22         G   5   1.712  -4.432  22.341
   56   1H2*    G   5          1H2*        G   5  -5.746  -2.428  22.721
   57   2H2*    G   5          2H2*        G   5  -4.862  -2.549  24.274
   58   1H5*  2AR   6          1H5*      2AR   6  -3.763  -4.328  26.749
   59   2H5*  2AR   6          2H5*      2AR   6  -4.063  -3.354  28.203
   60    H4*  2AR   6           H4*      2AR   6  -1.659  -3.454  27.720
   61    H1*  2AR   6           H1*      2AR   6  -0.225  -1.277  25.641
   62    H2   2AR   6           H2       2AR   6   2.618  -0.507  22.302
   63   1H6   2AR   6          1H6       2AR   6  -0.090   0.244  18.809
   64   2H6   2AR   6          2H6       2AR   6  -1.732   0.084  19.389
   65    H8   2AR   6           H8       2AR   6  -3.607  -0.896  23.704
   66   2H2*  2AR   6          2H2*      2AR   6  -1.495   0.416  26.652
   67   1H2*  2AR   6          1H2*      2AR   6  -3.035  -0.240  26.037
   68    H3*  2AR   6           H3*      2AR   6  -3.124  -1.111  28.180
   69    HX*  2AR   6           HX*      2AR   6  -0.935  -3.469  25.557
   70   HX**  2AR   6          HX**      2AR   6  -2.565  -3.027  24.979
   71   1H5*    G   7          1H5*        G   7   2.043  -0.919  27.160
   72   2H5*    G   7          2H5*        G   7   2.230  -0.055  28.699
   73    H4*    G   7           H4*        G   7   3.871   0.839  27.211
   74    H3*    G   7           H3*        G   7   1.752   2.441  28.253
   75    H1*    G   7           H1*        G   7   3.531   2.785  24.825
   76    H8     G   7           H8         G   7  -0.320   2.577  24.539
   77    H1     G   7           H1         G   7   2.643   2.583  18.931
   78   1H2     G   7          H21         G   7   5.584   2.431  20.774
   79   2H2     G   7          H22         G   7   4.824   2.493  19.194
   80   1H2*    G   7          1H2*        G   7   0.888   3.155  26.223
   81   2H2*    G   7          2H2*        G   7   2.322   4.221  26.195
   82   1H5*    T   8          1H5*        T   8   5.721   4.307  26.612
   83   2H5*    T   8          2H5*        T   8   6.128   5.780  27.516
   84    H4*    T   8           H4*        T   8   6.781   6.059  25.220
   85    H3*    T   8           H3*        T   8   4.766   7.734  26.444
   86   1H2*    T   8          1H2*        T   8   3.359   7.818  24.678
   87   2H2*    T   8          2H2*        T   8   4.639   8.657  23.769
   88    H1*    T   8           H1*        T   8   5.339   6.731  22.695
   89    H3     T   8           H3         T   8   2.075   5.286  19.918
   90   1H5M    T   8          H51         T   8  -0.429   6.945  24.169
   91   2H5M    T   8          H52         T   8  -1.159   5.644  23.200
   92   3H5M    T   8          H53         T   8  -0.216   5.246  24.657
   93    H6     T   8           H6         T   8   2.211   6.338  24.584
   94   1H5*    C   9          1H5*        C   9   7.272   7.881  22.961
   95   2H5*    C   9          2H5*        C   9   8.301   9.328  22.952
   96    H4*    C   9           H4*        C   9   8.124   8.752  20.691
   97    H3*    C   9           H3*        C   9   6.722  11.050  21.659
   98    H1*    C   9           H1*        C   9   5.663   8.649  18.693
   99   1H4     C   9          H41         C   9  -0.488   7.506  19.222
  100   2H4     C   9          H42         C   9  -0.589   8.404  20.712
  101    H5     C   9           H5         C   9   1.460   8.963  22.029
  102    H6     C   9           H6         C   9   3.850   9.265  21.849
  103   1H2*    C   9          1H2*        C   9   4.699  10.661  20.697
  104   2H2*    C   9          2H2*        C   9   5.514  10.920  19.120
  105   1H5*    A  10          1H5*        A  10   7.248   9.961  17.689
  106   2H5*    A  10          2H5*        A  10   8.182  11.027  16.623
  107    H4*    A  10           H4*        A  10   6.498   9.559  15.479
  108    H3*    A  10           H3*        A  10   7.153  12.221  14.947
  109    H1*    A  10           H1*        A  10   3.317  11.011  15.047
  110    H8     A  10           H8         A  10   5.095  12.698  17.940
  111   1H6     A  10          1H6         A  10  -0.423  14.919  19.596
  112   2H6     A  10          2H6         A  10   1.271  14.839  20.024
  113    H2     A  10           H2         A  10  -0.915  12.592  15.784
  114   1H2*    A  10          1H2*        A  10   5.195  13.272  15.382
  115   2H2*    A  10          2H2*        A  10   4.604  12.502  13.884
  116   1H5*    C  11          1H5*        C  11   4.061   9.890  12.281
  117   2H5*    C  11          2H5*        C  11   4.528  10.184  10.593
  118    H4*    C  11           H4*        C  11   2.107   9.981  10.756
  119    H3*    C  11           H3*        C  11   3.459  12.370   9.811
  120    H1*    C  11           H1*        C  11   0.003  12.188  11.750
  121   1H4     C  11          H41         C  11   0.144  16.730  16.157
  122   2H4     C  11          H42         C  11   1.889  16.745  16.195
  123    H5     C  11           H5         C  11   3.247  15.296  14.797
  124    H6     C  11           H6         C  11   3.200  13.592  13.043
  125    H3T    C  11           H3T        C  11   1.157  10.865   9.082
  126   1H2*    C  11          1H2*        C  11   2.157  13.944  10.746
  127   2H2*    C  11          2H2*        C  11   0.758  13.242   9.883
  128   1H5*    G  12          1H5*        G  12  -8.340  20.522  17.302
  129   2H5*    G  12          2H5*        G  12  -6.568  20.481  17.414
  130    H4*    G  12           H4*        G  12  -8.244  19.228  15.207
  131    H3*    G  12           H3*        G  12  -7.442  18.283  17.817
  132    H1*    G  12           H1*        G  12  -5.474  17.310  14.455
  133    H8     G  12           H8         G  12  -4.291  19.473  17.455
  134    H1     G  12           H1         G  12   0.377  16.752  14.081
  135   1H2     G  12          H21         G  12  -0.477  15.452  12.511
  136   2H2     G  12          H22         G  12  -2.199  15.248  12.293
  137   1H2*    G  12          1H2*        G  12  -5.606  17.098  17.339
  138   2H2*    G  12          2H2*        G  12  -6.510  16.185  16.101
  139    H5T    G  12           H5T        G  12  -6.538  21.591  15.381
  140   1H5*    T  13          1H5*        T  13  -8.552  15.779  14.407
  141   2H5*    T  13          2H5*        T  13  -9.502  14.306  14.678
  142    H4*    T  13           H4*        T  13  -7.780  14.034  12.911
  143    H3*    T  13           H3*        T  13  -8.288  12.303  15.097
  144   1H2*    T  13          1H2*        T  13  -6.251  12.260  16.078
  145   2H2*    T  13          2H2*        T  13  -5.733  11.320  14.650
  146    H1*    T  13           H1*        T  13  -4.673  13.114  13.708
  147    H3     T  13           H3         T  13  -1.303  14.449  16.348
  148   1H5M    T  13          H51         T  13  -4.158  15.626  19.792
  149   2H5M    T  13          H52         T  13  -5.667  15.935  18.905
  150   3H5M    T  13          H53         T  13  -5.362  14.330  19.606
  151    H6     T  13           H6         T  13  -6.061  14.223  16.912
  152   1H5*    G  14          1H5*        G  14  -4.874  11.997  11.902
  153   2H5*    G  14          2H5*        G  14  -5.551  10.681  10.920
  154    H4*    G  14           H4*        G  14  -3.125  10.878  10.572
  155    H3*    G  14           H3*        G  14  -4.528   8.534  11.209
  156    H1*    G  14           H1*        G  14  -1.021   9.392  12.839
  157    H8     G  14           H8         G  14  -4.248   9.701  14.965
  158    H1     G  14           H1         G  14   1.155   9.482  18.317
  159   1H2     G  14          H21         G  14   2.684   9.027  15.224
  160   2H2     G  14          H22         G  14   2.877   9.130  16.961
  161   1H2*    G  14          1H2*        G  14  -3.648   8.047  13.253
  162   2H2*    G  14          2H2*        G  14  -2.219   7.511  12.325
  163   1H5*    A  15          1H5*        A  15   0.088   8.881  10.746
  164   2H5*    A  15          2H5*        A  15   0.375   7.841   9.335
  165    H4*    A  15           H4*        A  15   2.404   7.889  10.621
  166    H3*    A  15           H3*        A  15   0.903   5.505  10.181
  167    H1*    A  15           H1*        A  15   2.875   6.314  13.524
  168    H8     A  15           H8         A  15  -0.999   6.443  13.415
  169   1H6     A  15          1H6         A  15  -0.790   4.975  19.380
  170   2H6     A  15          2H6         A  15  -1.834   5.367  18.033
  171    H2     A  15           H2         A  15   3.431   5.102  17.833
  172   1H2*    A  15          1H2*        A  15   0.707   4.720  12.271
  173   2H2*    A  15          2H2*        A  15   2.475   4.478  12.239
  174   1H5*    C  16          1H5*        C  16   5.200   5.391  11.558
  175   2H5*    C  16          2H5*        C  16   6.183   4.156  10.744
  176    H4*    C  16           H4*        C  16   6.827   4.371  13.101
  177    H3*    C  16           H3*        C  16   6.089   1.933  11.778
  178    H1*    C  16           H1*        C  16   5.464   2.932  15.534
  179   1H4     C  16          H41         C  16  -1.100   2.264  16.226
  180   2H4     C  16          H42         C  16  -0.380   2.145  17.817
  181    H5     C  16           H5         C  16   0.194   2.588  14.219
  182    H6     C  16           H6         C  16   2.451   2.807  13.314
  183   1H2*    C  16          1H2*        C  16   4.325   1.381  13.196
  184   2H2*    C  16          2H2*        C  16   5.613   0.925  14.336
  185   1H5*  8OG  17          1H5*      8OG  17   8.569   1.996  15.882
  186   2H5*  8OG  17          2H5*      8OG  17   9.795   0.726  15.698
  187    H4*  8OG  17           H4*      8OG  17   9.149   0.944  18.044
  188    H3*  8OG  17           H3*      8OG  17   8.993  -1.474  16.526
  189   1H2*  8OG  17          1H2*      8OG  17   6.816  -1.977  16.898
  190   2H2*  8OG  17          2H2*      8OG  17   7.358  -2.412  18.546
  191    H1*  8OG  17           H1*      8OG  17   6.665  -0.367  19.431
  192    H1   8OG  17           H1       8OG  17   1.981  -1.123  14.173
  193    H7   8OG  17           H7       8OG  17   2.087  -0.504  19.129
  194   1H2   8OG  17          1H2       8OG  17   3.631  -1.259  12.695
  195   2H2   8OG  17          2H2       8OG  17   5.315  -1.129  13.151
  196   1H5*    C  18          1H5*        C  18   9.054  -1.621  21.349
  197   2H5*    C  18          2H5*        C  18  10.101  -3.000  21.746
  198    H4*    C  18           H4*        C  18   8.249  -2.877  23.340
  199    H3*    C  18           H3*        C  18   8.968  -5.143  21.865
  200    H1*    C  18           H1*        C  18   5.332  -4.156  22.630
  201   1H4     C  18          H41         C  18   2.553  -3.686  16.650
  202   2H4     C  18          H42         C  18   1.304  -3.304  17.816
  203    H5     C  18           H5         C  18   4.855  -4.142  17.290
  204    H6     C  18           H6         C  18   6.418  -4.246  19.113
  205   1H2*    C  18          1H2*        C  18   7.173  -5.203  20.484
  206   2H2*    C  18          2H2*        C  18   6.403  -6.048  21.806
  207   1H5*    A  19          1H5*        A  19   5.597  -6.198  25.579
  208   2H5*    A  19          2H5*        A  19   6.428  -7.677  26.103
  209    H4*    A  19           H4*        A  19   4.021  -8.008  26.259
  210    H3*    A  19           H3*        A  19   5.756  -9.630  24.739
  211    H1*    A  19           H1*        A  19   2.166  -8.774  23.743
  212    H8     A  19           H8         A  19   4.968  -7.646  21.336
  213   1H6     A  19          1H6         A  19   0.449  -5.795  17.590
  214   2H6     A  19          2H6         A  19   2.179  -5.980  17.771
  215    H2     A  19           H2         A  19  -1.424  -7.283  21.393
  216   1H2*    A  19          1H2*        A  19   4.880  -9.353  22.690
  217   2H2*    A  19          2H2*        A  19   3.609 -10.464  23.284
  218   1H5*    C  20          1H5*        C  20   1.637 -10.991  26.300
  219   2H5*    C  20          2H5*        C  20   1.439 -12.734  26.577
  220    H4*    C  20           H4*        C  20  -0.651 -11.699  25.770
  221    H3*    C  20           H3*        C  20   0.624 -13.998  24.682
  222    H1*    C  20           H1*        C  20  -1.335 -11.289  22.657
  223   1H4     C  20          H41         C  20   3.330  -9.845  18.173
  224   2H4     C  20          H42         C  20   1.819  -9.195  17.572
  225    H5     C  20           H5         C  20   3.506 -11.018  20.289
  226    H6     C  20           H6         C  20   2.350 -11.674  22.292
  227   1H2*    C  20          1H2*        C  20   0.964 -13.207  22.538
  228   2H2*    C  20          2H2*        C  20  -0.794 -13.518  22.358
  229   1H5*    T  21          1H5*        T  21  -3.478 -12.445  23.763
  230   2H5*    T  21          2H5*        T  21  -4.723 -13.705  23.847
  231    H4*    T  21           H4*        T  21  -5.368 -11.874  22.332
  232    H3*    T  21           H3*        T  21  -5.286 -14.668  21.653
  233   1H2*    T  21          1H2*        T  21  -4.170 -14.533  19.696
  234   2H2*    T  21          2H2*        T  21  -5.600 -13.670  19.059
  235    H1*    T  21           H1*        T  21  -4.596 -11.617  19.276
  236    H3     T  21           H3         T  21  -1.481 -12.153  16.049
  237   1H5M    T  21          H51         T  21   0.958 -13.326  20.501
  238   2H5M    T  21          H52         T  21   0.305 -14.939  20.137
  239   3H5M    T  21          H53         T  21   1.443 -14.163  19.010
  240    H6     T  21           H6         T  21  -1.817 -13.393  20.661
  241   1H5*    G  22          1H5*        G  22  -8.563 -11.981  18.945
  242   2H5*    G  22          2H5*        G  22  -9.890 -13.156  19.050
  243    H4*    G  22           H4*        G  22  -9.870 -12.168  16.835
  244    H3*    G  22           H3*        G  22  -9.467 -15.008  17.328
  245    H1*    G  22           H1*        G  22  -7.654 -12.889  14.397
  246    H8     G  22           H8         G  22  -6.050 -14.804  17.388
  247    H1     G  22           H1         G  22  -2.092 -13.453  12.580
  248   1H2     G  22          H21         G  22  -4.888 -11.992  11.096
  249   2H2     G  22          H22         G  22  -3.186 -12.374  10.977
  250    H3T    G  22           H3T        G  22 -11.019 -15.073  15.624
  251   1H2*    G  22          1H2*        G  22  -7.930 -15.484  15.739
  252   2H2*    G  22          2H2*        G  22  -8.976 -14.738  14.500


Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Thursday, May 23, 2024 2:29:13 PM GMT (wattos1)