COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.027   4.609   1.473  1.00  0.00           C  
HETATM    2  C   UNL     1       6.285   1.914   1.229  1.00  0.00           C  
HETATM    3  C   UNL     1       7.065   0.907   0.381  1.00  0.00           C  
HETATM    4  C   UNL     1       8.351   0.513   1.110  1.00  0.00           C  
HETATM    5  C   UNL     1       7.997  -0.232   2.400  1.00  0.00           C  
HETATM    6  C   UNL     1       9.190  -0.396   0.210  1.00  0.00           C  
HETATM    7  C   UNL     1      10.530  -0.690   0.888  1.00  0.00           C  
HETATM    8  C   UNL     1      11.368  -1.599  -0.012  1.00  0.00           C  
HETATM    9  C   UNL     1      12.708  -1.892   0.665  1.00  0.00           C  
HETATM   10  C   UNL     1      12.468  -2.698   1.943  1.00  0.00           C  
HETATM   11  C   UNL     1      13.596  -2.697  -0.286  1.00  0.00           C  
HETATM   12  C   UNL     1      14.979  -2.883   0.342  1.00  0.00           C  
HETATM   13  C   UNL     1      15.867  -3.688  -0.610  1.00  0.00           C  
HETATM   14  C   UNL     1      18.174  -4.569  -0.983  1.00  0.00           C  
HETATM   15  C   UNL     1      19.589  -4.643  -0.404  1.00  0.00           C  
HETATM   16  C   UNL     1      21.928  -5.413  -0.826  1.00  0.00           C  
HETATM   17  C   UNL     1      22.824  -6.217  -1.771  1.00  0.00           C  
HETATM   18  C   UNL     1      22.490  -3.999  -0.670  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.075   4.642   0.842  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.496   4.784   0.793  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.142   3.404   0.659  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.059   6.432  -0.424  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.371   5.880   0.968  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.065   5.649   1.730  1.00  0.00           C  
HETATM   25  C   UNL     1       2.046   4.523   1.586  1.00  0.00           C  
HETATM   26  C   UNL     1       2.878   3.615   0.678  1.00  0.00           C  
HETATM   27  C   UNL     1       4.220   3.315   1.348  1.00  0.00           C  
HETATM   28  C   UNL     1       5.000   2.308   0.499  1.00  0.00           C  
HETATM   29  C   UNL     1      17.250  -3.874   0.018  1.00  0.00           C  
HETATM   30  C   UNL     1      17.126  -4.731   1.279  1.00  0.00           C  
HETATM   31  C   UNL     1      20.514  -5.339  -1.405  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.749   2.785  -0.684  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.663   3.543   0.731  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.304   2.154   0.722  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.826   2.294   0.794  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.467   0.904   0.786  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.069   0.152   2.057  1.00  0.00           C  
HETATM   38  C   UNL     1      -9.989   1.045   0.732  1.00  0.00           C  
HETATM   39  C   UNL     1     -10.625  -0.340   0.598  1.00  0.00           C  
HETATM   40  C   UNL     1     -12.148  -0.199   0.544  1.00  0.00           C  
HETATM   41  C   UNL     1     -12.784  -1.584   0.410  1.00  0.00           C  
HETATM   42  C   UNL     1     -12.497  -2.401   1.671  1.00  0.00           C  
HETATM   43  C   UNL     1     -14.296  -1.436   0.230  1.00  0.00           C  
HETATM   44  C   UNL     1     -14.916  -2.811  -0.028  1.00  0.00           C  
HETATM   45  C   UNL     1     -16.428  -2.662  -0.207  1.00  0.00           C  
HETATM   46  C   UNL     1     -17.048  -4.037  -0.466  1.00  0.00           C  
HETATM   47  C   UNL     1     -16.535  -4.586  -1.798  1.00  0.00           C  
HETATM   48  C   UNL     1     -18.572  -3.907  -0.521  1.00  0.00           C  
HETATM   49  C   UNL     1     -19.198  -5.297  -0.654  1.00  0.00           C  
HETATM   50  C   UNL     1     -20.721  -5.167  -0.710  1.00  0.00           C  
HETATM   51  C   UNL     1     -21.347  -6.557  -0.843  1.00  0.00           C  
HETATM   52  C   UNL     1     -21.056  -7.371   0.419  1.00  0.00           C  
HETATM   53  C   UNL     1     -22.860  -6.419  -1.024  1.00  0.00           C  
HETATM   54  O   UNL     1       1.275   4.566  -3.069  1.00  0.00           O  
HETATM   55  O   UNL     1      -0.156   5.550  -1.095  1.00  0.00           O  
HETATM   56  O   UNL     1       0.792   4.803   0.961  1.00  0.00           O  
HETATM   57  O   UNL     1       1.295   7.152  -2.593  1.00  0.00           O  
HETATM   58  O   UNL     1      -0.757   5.999  -3.505  1.00  0.00           O  
HETATM   59  P   UNL     1       0.389   5.821  -2.586  1.00  0.00           P  
HETATM   60  H   UNL     1       4.472   5.326   2.078  1.00  0.00           H  
HETATM   61  H   UNL     1       5.984   4.395   1.950  1.00  0.00           H  
HETATM   62  H   UNL     1       5.201   5.027   0.482  1.00  0.00           H  
HETATM   63  H   UNL     1       6.035   1.463   2.189  1.00  0.00           H  
HETATM   64  H   UNL     1       6.897   2.801   1.393  1.00  0.00           H  
HETATM   65  H   UNL     1       6.453   0.020   0.217  1.00  0.00           H  
HETATM   66  H   UNL     1       7.316   1.358  -0.579  1.00  0.00           H  
HETATM   67  H   UNL     1       8.920   1.410   1.353  1.00  0.00           H  
HETATM   68  H   UNL     1       7.428  -1.129   2.157  1.00  0.00           H  
HETATM   69  H   UNL     1       8.913  -0.513   2.919  1.00  0.00           H  
HETATM   70  H   UNL     1       7.400   0.416   3.041  1.00  0.00           H  
HETATM   71  H   UNL     1       8.656  -1.332   0.040  1.00  0.00           H  
HETATM   72  H   UNL     1       9.366   0.100  -0.744  1.00  0.00           H  
HETATM   73  H   UNL     1      11.063   0.246   1.058  1.00  0.00           H  
HETATM   74  H   UNL     1      10.353  -1.186   1.842  1.00  0.00           H  
HETATM   75  H   UNL     1      10.835  -2.534  -0.183  1.00  0.00           H  
HETATM   76  H   UNL     1      11.545  -1.102  -0.967  1.00  0.00           H  
HETATM   77  H   UNL     1      13.202  -0.953   0.916  1.00  0.00           H  
HETATM   78  H   UNL     1      11.974  -3.637   1.693  1.00  0.00           H  
HETATM   79  H   UNL     1      13.422  -2.907   2.426  1.00  0.00           H  
HETATM   80  H   UNL     1      11.835  -2.125   2.621  1.00  0.00           H  
HETATM   81  H   UNL     1      13.145  -3.672  -0.466  1.00  0.00           H  
HETATM   82  H   UNL     1      13.695  -2.162  -1.230  1.00  0.00           H  
HETATM   83  H   UNL     1      15.431  -1.907   0.522  1.00  0.00           H  
HETATM   84  H   UNL     1      14.880  -3.418   1.286  1.00  0.00           H  
HETATM   85  H   UNL     1      15.415  -4.663  -0.790  1.00  0.00           H  
HETATM   86  H   UNL     1      15.965  -3.153  -1.554  1.00  0.00           H  
HETATM   87  H   UNL     1      18.192  -4.003  -1.915  1.00  0.00           H  
HETATM   88  H   UNL     1      17.808  -5.577  -1.177  1.00  0.00           H  
HETATM   89  H   UNL     1      19.955  -3.635  -0.210  1.00  0.00           H  
HETATM   90  H   UNL     1      19.571  -5.209   0.527  1.00  0.00           H  
HETATM   91  H   UNL     1      21.896  -5.901   0.148  1.00  0.00           H  
HETATM   92  H   UNL     1      23.831  -6.270  -1.358  1.00  0.00           H  
HETATM   93  H   UNL     1      22.423  -7.225  -1.882  1.00  0.00           H  
HETATM   94  H   UNL     1      22.855  -5.729  -2.745  1.00  0.00           H  
HETATM   95  H   UNL     1      22.522  -3.511  -1.645  1.00  0.00           H  
HETATM   96  H   UNL     1      21.852  -3.426   0.002  1.00  0.00           H  
HETATM   97  H   UNL     1      23.498  -4.052  -0.258  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.846   5.262   1.708  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.770   5.398  -0.065  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.797   2.761   1.469  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.982   6.513  -0.999  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.602   7.417  -0.330  1.00  0.00           H  
HETATM  103  H   UNL     1      -1.988   6.595   1.512  1.00  0.00           H  
HETATM  104  H   UNL     1       0.429   6.605   1.903  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.281   5.173   2.687  1.00  0.00           H  
HETATM  106  H   UNL     1       1.874   4.024   2.540  1.00  0.00           H  
HETATM  107  H   UNL     1       2.584   5.456   1.756  1.00  0.00           H  
HETATM  108  H   UNL     1       2.340   2.681   0.508  1.00  0.00           H  
HETATM  109  H   UNL     1       3.050   4.113  -0.275  1.00  0.00           H  
HETATM  110  H   UNL     1       4.047   2.897   2.339  1.00  0.00           H  
HETATM  111  H   UNL     1       5.250   2.759  -0.461  1.00  0.00           H  
HETATM  112  H   UNL     1       4.388   1.421   0.335  1.00  0.00           H  
HETATM  113  H   UNL     1      17.664  -2.900   0.280  1.00  0.00           H  
HETATM  114  H   UNL     1      18.111  -4.864   1.726  1.00  0.00           H  
HETATM  115  H   UNL     1      16.467  -4.236   1.992  1.00  0.00           H  
HETATM  116  H   UNL     1      16.712  -5.705   1.017  1.00  0.00           H  
HETATM  117  H   UNL     1      20.147  -6.347  -1.599  1.00  0.00           H  
HETATM  118  H   UNL     1      20.532  -4.773  -2.337  1.00  0.00           H  
HETATM  119  H   UNL     1      -2.665   2.685  -0.736  1.00  0.00           H  
HETATM  120  H   UNL     1      -4.209   1.801  -0.780  1.00  0.00           H  
HETATM  121  H   UNL     1      -4.094   3.427  -1.495  1.00  0.00           H  
HETATM  122  H   UNL     1      -5.938   4.064   1.648  1.00  0.00           H  
HETATM  123  H   UNL     1      -6.017   4.112  -0.130  1.00  0.00           H  
HETATM  124  H   UNL     1      -6.030   1.633  -0.195  1.00  0.00           H  
HETATM  125  H   UNL     1      -5.951   1.586   1.582  1.00  0.00           H  
HETATM  126  H   UNL     1      -8.100   2.815   1.712  1.00  0.00           H  
HETATM  127  H   UNL     1      -8.180   2.862  -0.066  1.00  0.00           H  
HETATM  128  H   UNL     1      -8.122   0.350  -0.087  1.00  0.00           H  
HETATM  129  H   UNL     1      -8.526  -0.838   2.051  1.00  0.00           H  
HETATM  130  H   UNL     1      -6.984   0.051   2.095  1.00  0.00           H  
HETATM  131  H   UNL     1      -8.414   0.706   2.930  1.00  0.00           H  
HETATM  132  H   UNL     1     -10.343   1.520   1.647  1.00  0.00           H  
HETATM  133  H   UNL     1     -10.267   1.657  -0.126  1.00  0.00           H  
HETATM  134  H   UNL     1     -10.272  -0.815  -0.317  1.00  0.00           H  
HETATM  135  H   UNL     1     -10.347  -0.952   1.456  1.00  0.00           H  
HETATM  136  H   UNL     1     -12.501   0.276   1.459  1.00  0.00           H  
HETATM  137  H   UNL     1     -12.426   0.413  -0.314  1.00  0.00           H  
HETATM  138  H   UNL     1     -12.363  -2.095  -0.457  1.00  0.00           H  
HETATM  139  H   UNL     1     -12.917  -1.891   2.538  1.00  0.00           H  
HETATM  140  H   UNL     1     -12.950  -3.388   1.576  1.00  0.00           H  
HETATM  141  H   UNL     1     -11.420  -2.507   1.799  1.00  0.00           H  
HETATM  142  H   UNL     1     -14.728  -1.007   1.134  1.00  0.00           H  
HETATM  143  H   UNL     1     -14.499  -0.781  -0.617  1.00  0.00           H  
HETATM  144  H   UNL     1     -14.483  -3.240  -0.932  1.00  0.00           H  
HETATM  145  H   UNL     1     -14.713  -3.466   0.819  1.00  0.00           H  
HETATM  146  H   UNL     1     -16.861  -2.233   0.697  1.00  0.00           H  
HETATM  147  H   UNL     1     -16.631  -2.007  -1.054  1.00  0.00           H  
HETATM  148  H   UNL     1     -16.771  -4.718   0.339  1.00  0.00           H  
HETATM  149  H   UNL     1     -15.449  -4.679  -1.759  1.00  0.00           H  
HETATM  150  H   UNL     1     -16.976  -5.565  -1.982  1.00  0.00           H  
HETATM  151  H   UNL     1     -16.812  -3.905  -2.603  1.00  0.00           H  
HETATM  152  H   UNL     1     -18.929  -3.434   0.394  1.00  0.00           H  
HETATM  153  H   UNL     1     -18.854  -3.298  -1.379  1.00  0.00           H  
HETATM  154  H   UNL     1     -18.840  -5.770  -1.569  1.00  0.00           H  
HETATM  155  H   UNL     1     -18.916  -5.906   0.204  1.00  0.00           H  
HETATM  156  H   UNL     1     -21.079  -4.694   0.205  1.00  0.00           H  
HETATM  157  H   UNL     1     -21.003  -4.557  -1.568  1.00  0.00           H  
HETATM  158  H   UNL     1     -20.923  -7.065  -1.709  1.00  0.00           H  
HETATM  159  H   UNL     1     -21.502  -8.361   0.324  1.00  0.00           H  
HETATM  160  H   UNL     1     -19.978  -7.469   0.548  1.00  0.00           H  
HETATM  161  H   UNL     1     -21.480  -6.863   1.285  1.00  0.00           H  
HETATM  162  H   UNL     1     -23.068  -5.839  -1.923  1.00  0.00           H  
HETATM  163  H   UNL     1     -23.306  -7.409  -1.119  1.00  0.00           H  
HETATM  164  H   UNL     1     -23.285  -5.911  -0.158  1.00  0.00           H  
HETATM  165  H   UNL     1       1.636   4.660  -3.961  1.00  0.00           H  
HETATM  166  H   UNL     1       2.066   7.106  -2.011  1.00  0.00           H  
CONECT    1   27   60   61   62                                       
CONECT    2   28    3   63   64                                       
CONECT    3    2    4   65   66                                       
CONECT    4    6    3    5   67                                       
CONECT    5    4   68   69   70                                       
CONECT    6    7    4   71   72                                       
CONECT    7    8    6   73   74                                       
CONECT    8    9    7   75   76                                       
CONECT    9   11    8   10   77                                       
CONECT   10    9   78   79   80                                       
CONECT   11   12    9   81   82                                       
CONECT   12   13   11   83   84                                       
CONECT   13   29   12   85   86                                       
CONECT   14   29   15   87   88                                       
CONECT   15   14   31   89   90                                       
CONECT   16   18   31   17   91                                       
CONECT   17   16   92   93   94                                       
CONECT   18   16   95   96   97                                       
CONECT   19   20   23                                                 
CONECT   20   21   19   98   99                                       
CONECT   21   32   33   20  100                                       
CONECT   22   55   23  101  102                                       
CONECT   23   19   22   24  103                                       
CONECT   24   23   56  104  105                                       
CONECT   25   56   26  106  107                                       
CONECT   26   25   27  108  109                                       
CONECT   27   26   28    1  110                                       
CONECT   28   27    2  111  112                                       
CONECT   29   30   14   13  113                                       
CONECT   30   29  114  115  116                                       
CONECT   31   15   16  117  118                                       
CONECT   32   21  119  120  121                                       
CONECT   33   21   34  122  123                                       
CONECT   34   33   35  124  125                                       
CONECT   35   36   34  126  127                                       
CONECT   36   35   38   37  128                                       
CONECT   37   36  129  130  131                                       
CONECT   38   39   36  132  133                                       
CONECT   39   40   38  134  135                                       
CONECT   40   41   39  136  137                                       
CONECT   41   43   42   40  138                                       
CONECT   42   41  139  140  141                                       
CONECT   43   44   41  142  143                                       
CONECT   44   45   43  144  145                                       
CONECT   45   46   44  146  147                                       
CONECT   46   47   48   45  148                                       
CONECT   47   46  149  150  151                                       
CONECT   48   49   46  152  153                                       
CONECT   49   50   48  154  155                                       
CONECT   50   51   49  156  157                                       
CONECT   51   53   52   50  158                                       
CONECT   52   51  159  160  161                                       
CONECT   53   51  162  163  164                                       
CONECT   54   59  165                                                 
CONECT   55   59   22                                                 
CONECT   56   24   25                                                 
CONECT   57   59  166                                                 
CONECT   58   59   59                                                 
CONECT   59   58   58   57   54                                       
CONECT   59   55                                                      
CONECT   60    1                                                      
CONECT   61    1                                                      
CONECT   62    1                                                      
CONECT   63    2                                                      
CONECT   64    2                                                      
CONECT   65    3                                                      
CONECT   66    3                                                      
CONECT   67    4                                                      
CONECT   68    5                                                      
CONECT   69    5                                                      
CONECT   70    5                                                      
CONECT   71    6                                                      
CONECT   72    6                                                      
CONECT   73    7                                                      
CONECT   74    7                                                      
CONECT   75    8                                                      
CONECT   76    8                                                      
CONECT   77    9                                                      
CONECT   78   10                                                      
CONECT   79   10                                                      
CONECT   80   10                                                      
CONECT   81   11                                                      
CONECT   82   11                                                      
CONECT   83   12                                                      
CONECT   84   12                                                      
CONECT   85   13                                                      
CONECT   86   13                                                      
CONECT   87   14                                                      
CONECT   88   14                                                      
CONECT   89   15                                                      
CONECT   90   15                                                      
CONECT   91   16                                                      
CONECT   92   17                                                      
CONECT   93   17                                                      
CONECT   94   17                                                      
CONECT   95   18                                                      
CONECT   96   18                                                      
CONECT   97   18                                                      
CONECT   98   20                                                      
CONECT   99   20                                                      
CONECT  100   21                                                      
CONECT  101   22                                                      
CONECT  102   22                                                      
CONECT  103   23                                                      
CONECT  104   24                                                      
CONECT  105   24                                                      
CONECT  106   25                                                      
CONECT  107   25                                                      
CONECT  108   26                                                      
CONECT  109   26                                                      
CONECT  110   27                                                      
CONECT  111   28                                                      
CONECT  112   28                                                      
CONECT  113   29                                                      
CONECT  114   30                                                      
CONECT  115   30                                                      
CONECT  116   30                                                      
CONECT  117   31                                                      
CONECT  118   31                                                      
CONECT  119   32                                                      
CONECT  120   32                                                      
CONECT  121   32                                                      
CONECT  122   33                                                      
CONECT  123   33                                                      
CONECT  124   34                                                      
CONECT  125   34                                                      
CONECT  126   35                                                      
CONECT  127   35                                                      
CONECT  128   36                                                      
CONECT  129   37                                                      
CONECT  130   37                                                      
CONECT  131   37                                                      
CONECT  132   38                                                      
CONECT  133   38                                                      
CONECT  134   39                                                      
CONECT  135   39                                                      
CONECT  136   40                                                      
CONECT  137   40                                                      
CONECT  138   41                                                      
CONECT  139   42                                                      
CONECT  140   42                                                      
CONECT  141   42                                                      
CONECT  142   43                                                      
CONECT  143   43                                                      
CONECT  144   44                                                      
CONECT  145   44                                                      
CONECT  146   45                                                      
CONECT  147   45                                                      
CONECT  148   46                                                      
CONECT  149   47                                                      
CONECT  150   47                                                      
CONECT  151   47                                                      
CONECT  152   48                                                      
CONECT  153   48                                                      
CONECT  154   49                                                      
CONECT  155   49                                                      
CONECT  156   50                                                      
CONECT  157   50                                                      
CONECT  158   51                                                      
CONECT  159   52                                                      
CONECT  160   52                                                      
CONECT  161   52                                                      
CONECT  162   53                                                      
CONECT  163   53                                                      
CONECT  164   53                                                      
CONECT  165   54                                                      
CONECT  166   57                                                      
MASTER        0    0    0    0    0    0    0    0  166    0  166    0
END
