COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.197   3.446  -0.686  1.00  0.00           C  
HETATM    2  C   UNL     1       7.963   2.626  -1.448  1.00  0.00           C  
HETATM    3  C   UNL     1       6.701   1.869  -1.030  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.068  -1.220  -4.398  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.777  -0.474  -4.742  1.00  0.00           C  
HETATM    6  C   UNL     1       1.277   0.167  -3.717  1.00  0.00           C  
HETATM    7  C   UNL     1       2.234   0.229  -2.554  1.00  0.00           C  
HETATM    8  C   UNL     1       4.468   1.049  -1.792  1.00  0.00           C  
HETATM    9  C   UNL     1      20.154   6.681   3.500  1.00  0.00           C  
HETATM   10  C   UNL     1      19.182   6.618   2.320  1.00  0.00           C  
HETATM   11  C   UNL     1      17.920   5.861   2.738  1.00  0.00           C  
HETATM   12  C   UNL     1      16.948   5.798   1.558  1.00  0.00           C  
HETATM   13  C   UNL     1      15.686   5.041   1.976  1.00  0.00           C  
HETATM   14  C   UNL     1      14.715   4.978   0.796  1.00  0.00           C  
HETATM   15  C   UNL     1      13.453   4.221   1.214  1.00  0.00           C  
HETATM   16  C   UNL     1      12.481   4.159   0.034  1.00  0.00           C  
HETATM   17  C   UNL     1      11.219   3.401   0.452  1.00  0.00           C  
HETATM   18  C   UNL     1       8.935   2.688  -0.268  1.00  0.00           C  
HETATM   19  C   UNL     1       5.730   1.806  -2.210  1.00  0.00           C  
HETATM   20  C   UNL     1       3.496   0.986  -2.972  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.725  -2.614  -3.867  1.00  0.00           C  
HETATM   22  C   UNL     1       1.595  -4.174  -0.072  1.00  0.00           C  
HETATM   23  C   UNL     1       1.304  -3.912   1.408  1.00  0.00           C  
HETATM   24  C   UNL     1       2.124  -4.878   2.267  1.00  0.00           C  
HETATM   25  C   UNL     1       3.614  -4.664   1.994  1.00  0.00           C  
HETATM   26  C   UNL     1       3.904  -4.925   0.515  1.00  0.00           C  
HETATM   27  C   UNL     1       3.085  -3.960  -0.344  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.135  -0.591  -3.393  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.959   0.147  -2.370  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.443  -0.147  -2.602  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.280   0.602  -1.563  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.763   0.308  -1.795  1.00  0.00           C  
HETATM   33  O   UNL     1       1.574   0.677  -4.771  1.00  0.00           O  
HETATM   34  O   UNL     1       0.095  -0.454  -3.580  1.00  0.00           O  
HETATM   35  O   UNL     1      -0.824  -2.495  -2.764  1.00  0.00           O  
HETATM   36  O   UNL     1       0.393  -4.702  -2.908  1.00  0.00           O  
HETATM   37  O   UNL     1      -1.463  -4.516  -1.208  1.00  0.00           O  
HETATM   38  O   UNL     1       0.829  -3.273  -0.874  1.00  0.00           O  
HETATM   39  O   UNL     1       1.660  -2.567   1.732  1.00  0.00           O  
HETATM   40  O   UNL     1       1.853  -4.633   3.648  1.00  0.00           O  
HETATM   41  O   UNL     1       4.379  -5.565   2.796  1.00  0.00           O  
HETATM   42  O   UNL     1       4.711  -4.269   5.060  1.00  0.00           O  
HETATM   43  O   UNL     1       6.222  -6.347   4.501  1.00  0.00           O  
HETATM   44  O   UNL     1       6.445  -4.180   3.227  1.00  0.00           O  
HETATM   45  O   UNL     1       5.296  -4.726   0.260  1.00  0.00           O  
HETATM   46  O   UNL     1       5.694  -6.426  -1.563  1.00  0.00           O  
HETATM   47  O   UNL     1       7.721  -5.275  -0.595  1.00  0.00           O  
HETATM   48  O   UNL     1       6.376  -7.065   0.782  1.00  0.00           O  
HETATM   49  O   UNL     1       3.356  -4.205  -1.726  1.00  0.00           O  
HETATM   50  O   UNL     1      -2.797  -0.481  -3.382  1.00  0.00           O  
HETATM   51  O   UNL     1      -4.678  -1.281  -4.223  1.00  0.00           O  
HETATM   52  P   UNL     1      -0.252  -3.767  -1.959  1.00  0.00           P  
HETATM   53  P   UNL     1       5.461  -5.071   3.882  1.00  0.00           P  
HETATM   54  P   UNL     1       6.259  -5.885  -0.307  1.00  0.00           P  
HETATM   55 BR   UNL     1      11.678   1.531   0.847  1.00  0.00          Br  
HETATM   56 BR   UNL     1       9.738   5.316  -1.081  1.00  0.00          Br  
HETATM   57  H   UNL     1      10.622   2.980  -1.575  1.00  0.00           H  
HETATM   58  H   UNL     1       8.438   2.109  -2.282  1.00  0.00           H  
HETATM   59  H   UNL     1       7.696   3.638  -1.752  1.00  0.00           H  
HETATM   60  H   UNL     1       6.969   0.857  -0.726  1.00  0.00           H  
HETATM   61  H   UNL     1       6.227   2.385  -0.196  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.683  -1.313  -5.292  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.273  -0.980  -5.565  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.015   0.548  -5.035  1.00  0.00           H  
HETATM   65  H   UNL     1       1.760   0.746  -1.720  1.00  0.00           H  
HETATM   66  H   UNL     1       2.502  -0.783  -2.250  1.00  0.00           H  
HETATM   67  H   UNL     1       4.735   0.037  -1.488  1.00  0.00           H  
HETATM   68  H   UNL     1       3.993   1.566  -0.958  1.00  0.00           H  
HETATM   69  H   UNL     1      19.680   7.198   4.335  1.00  0.00           H  
HETATM   70  H   UNL     1      20.421   5.669   3.805  1.00  0.00           H  
HETATM   71  H   UNL     1      21.053   7.220   3.203  1.00  0.00           H  
HETATM   72  H   UNL     1      18.914   7.630   2.016  1.00  0.00           H  
HETATM   73  H   UNL     1      19.656   6.101   1.486  1.00  0.00           H  
HETATM   74  H   UNL     1      18.188   4.849   3.043  1.00  0.00           H  
HETATM   75  H   UNL     1      17.446   6.378   3.572  1.00  0.00           H  
HETATM   76  H   UNL     1      16.681   6.810   1.254  1.00  0.00           H  
HETATM   77  H   UNL     1      17.423   5.281   0.724  1.00  0.00           H  
HETATM   78  H   UNL     1      15.954   4.029   2.280  1.00  0.00           H  
HETATM   79  H   UNL     1      15.212   5.558   2.810  1.00  0.00           H  
HETATM   80  H   UNL     1      14.447   5.990   0.492  1.00  0.00           H  
HETATM   81  H   UNL     1      15.189   4.462  -0.038  1.00  0.00           H  
HETATM   82  H   UNL     1      13.720   3.209   1.518  1.00  0.00           H  
HETATM   83  H   UNL     1      12.978   4.738   2.048  1.00  0.00           H  
HETATM   84  H   UNL     1      12.213   5.170  -0.271  1.00  0.00           H  
HETATM   85  H   UNL     1      12.955   3.642  -0.800  1.00  0.00           H  
HETATM   86  H   UNL     1      10.794   3.867   1.341  1.00  0.00           H  
HETATM   87  H   UNL     1       9.203   1.677   0.036  1.00  0.00           H  
HETATM   88  H   UNL     1       8.461   3.205   0.566  1.00  0.00           H  
HETATM   89  H   UNL     1       5.462   2.818  -2.514  1.00  0.00           H  
HETATM   90  H   UNL     1       6.204   1.289  -3.045  1.00  0.00           H  
HETATM   91  H   UNL     1       3.970   0.470  -3.807  1.00  0.00           H  
HETATM   92  H   UNL     1       3.228   1.998  -3.277  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.638  -3.112  -3.539  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.257  -3.198  -4.658  1.00  0.00           H  
HETATM   95  H   UNL     1       1.324  -5.201  -0.319  1.00  0.00           H  
HETATM   96  H   UNL     1       0.243  -4.065   1.602  1.00  0.00           H  
HETATM   97  H   UNL     1       1.853  -5.904   2.019  1.00  0.00           H  
HETATM   98  H   UNL     1       3.885  -3.637   2.241  1.00  0.00           H  
HETATM   99  H   UNL     1       3.633  -5.952   0.267  1.00  0.00           H  
HETATM  100  H   UNL     1       3.356  -2.934  -0.097  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.676  -0.181  -1.370  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.782   1.218  -2.464  1.00  0.00           H  
HETATM  103  H   UNL     1      -6.726   0.182  -3.602  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.620  -1.218  -2.507  1.00  0.00           H  
HETATM  105  H   UNL     1      -6.997   0.274  -0.563  1.00  0.00           H  
HETATM  106  H   UNL     1      -7.103   1.673  -1.657  1.00  0.00           H  
HETATM  107  H   UNL     1      -9.047   0.637  -2.795  1.00  0.00           H  
HETATM  108  H   UNL     1      -8.941  -0.763  -1.701  1.00  0.00           H  
HETATM  109  H   UNL     1      -1.932  -3.962  -0.570  1.00  0.00           H  
HETATM  110  H   UNL     1       1.502  -2.330   2.656  1.00  0.00           H  
HETATM  111  H   UNL     1       0.925  -4.750   3.894  1.00  0.00           H  
HETATM  112  H   UNL     1       4.050  -4.793   5.533  1.00  0.00           H  
HETATM  113  H   UNL     1       6.889  -6.124   5.164  1.00  0.00           H  
HETATM  114  H   UNL     1       8.355  -5.919  -0.940  1.00  0.00           H  
HETATM  115  H   UNL     1       6.740  -6.782   1.632  1.00  0.00           H  
HETATM  116  H   UNL     1       2.870  -3.627  -2.330  1.00  0.00           H  
HETATM  117  C   UNL     1      -9.600   1.057  -0.756  1.00  0.00           C  
HETATM  118  C   UNL     1     -11.084   0.764  -0.988  1.00  0.00           C  
HETATM  119  C   UNL     1     -11.921   1.513   0.051  1.00  0.00           C  
HETATM  120  C   UNL     1     -13.404   1.219  -0.182  1.00  0.00           C  
HETATM  121  C   UNL     1     -14.232   1.866   0.930  1.00  0.00           C  
HETATM  122  C   UNL     1     -15.716   1.572   0.698  1.00  0.00           C  
HETATM  123  C   UNL     1     -16.553   2.321   1.737  1.00  0.00           C  
HETATM  124  C   UNL     1     -18.036   2.027   1.505  1.00  0.00           C  
HETATM  125  C   UNL     1     -18.873   2.776   2.544  1.00  0.00           C  
HETATM  126  C   UNL     1     -20.357   2.482   2.312  1.00  0.00           C  
HETATM  127  C   UNL     1     -21.194   3.231   3.351  1.00  0.00           C  
HETATM  128  C   UNL     1     -22.677   2.938   3.119  1.00  0.00           C  
HETATM  129  C   UNL     1     -23.514   3.687   4.157  1.00  0.00           C  
HETATM  130 BR   UNL     1     -13.954   1.954  -1.920  1.00  0.00          Br  
HETATM  131 BR   UNL     1     -13.683   1.131   2.669  1.00  0.00          Br  
HETATM  132  H   UNL     1      -9.317   0.729   0.244  1.00  0.00           H  
HETATM  133  H   UNL     1      -9.423   2.129  -0.851  1.00  0.00           H  
HETATM  134  H   UNL     1     -11.367   1.092  -1.988  1.00  0.00           H  
HETATM  135  H   UNL     1     -11.261  -0.308  -0.894  1.00  0.00           H  
HETATM  136  H   UNL     1     -11.637   1.184   1.051  1.00  0.00           H  
HETATM  137  H   UNL     1     -11.743   2.584  -0.044  1.00  0.00           H  
HETATM  138  H   UNL     1     -13.566   0.141  -0.175  1.00  0.00           H  
HETATM  139  H   UNL     1     -14.070   2.944   0.924  1.00  0.00           H  
HETATM  140  H   UNL     1     -15.999   1.900  -0.302  1.00  0.00           H  
HETATM  141  H   UNL     1     -15.893   0.501   0.793  1.00  0.00           H  
HETATM  142  H   UNL     1     -16.270   1.993   2.737  1.00  0.00           H  
HETATM  143  H   UNL     1     -16.375   3.392   1.643  1.00  0.00           H  
HETATM  144  H   UNL     1     -18.320   2.355   0.505  1.00  0.00           H  
HETATM  145  H   UNL     1     -18.214   0.956   1.600  1.00  0.00           H  
HETATM  146  H   UNL     1     -18.590   2.448   3.544  1.00  0.00           H  
HETATM  147  H   UNL     1     -18.696   3.848   2.449  1.00  0.00           H  
HETATM  148  H   UNL     1     -20.640   2.811   1.312  1.00  0.00           H  
HETATM  149  H   UNL     1     -20.534   1.411   2.406  1.00  0.00           H  
HETATM  150  H   UNL     1     -20.910   2.903   4.351  1.00  0.00           H  
HETATM  151  H   UNL     1     -21.016   4.303   3.256  1.00  0.00           H  
HETATM  152  H   UNL     1     -22.960   3.266   2.119  1.00  0.00           H  
HETATM  153  H   UNL     1     -22.854   1.866   3.213  1.00  0.00           H  
HETATM  154  H   UNL     1     -23.231   3.358   5.157  1.00  0.00           H  
HETATM  155  H   UNL     1     -23.337   4.758   4.063  1.00  0.00           H  
HETATM  156  H   UNL     1     -24.571   3.477   3.992  1.00  0.00           H  
CONECT    1   56   18   17   57                                       
CONECT    2    3   18   58   59                                       
CONECT    3   19    2   60   61                                       
CONECT    4   21   50    5   62                                       
CONECT    5    4   34   63   64                                       
CONECT    6   34   33   33    7                                       
CONECT    7    6   20   65   66                                       
CONECT    8   20   19   67   68                                       
CONECT    9   10   69   70   71                                       
CONECT   10   11    9   72   73                                       
CONECT   11   12   10   74   75                                       
CONECT   12   13   11   76   77                                       
CONECT   13   14   12   78   79                                       
CONECT   14   15   13   80   81                                       
CONECT   15   16   14   82   83                                       
CONECT   16   17   15   84   85                                       
CONECT   17    1   55   16   86                                       
CONECT   18    2    1   87   88                                       
CONECT   19    8    3   89   90                                       
CONECT   20    7    8   91   92                                       
CONECT   21   35    4   93   94                                       
CONECT   22   23   27   38   95                                       
CONECT   23   24   39   22   96                                       
CONECT   24   40   25   23   97                                       
CONECT   25   41   24   26   98                                       
CONECT   26   25   45   27   99                                       
CONECT   27   26   22   49  100                                       
CONECT   28   50   51   51   29                                       
CONECT   29   28   30  101  102                                       
CONECT   30   29   31  103  104                                       
CONECT   31   30   32  105  106                                       
CONECT   32   31  107  108  117                                       
CONECT   33    6    6                                                 
CONECT   34    5    6                                                 
CONECT   35   52   21                                                 
CONECT   36   52   52                                                 
CONECT   37   52  109                                                 
CONECT   38   22   52                                                 
CONECT   39   23  110                                                 
CONECT   40   24  111                                                 
CONECT   41   53   25                                                 
CONECT   42   53  112                                                 
CONECT   43   53  113                                                 
CONECT   44   53   53                                                 
CONECT   45   26   54                                                 
CONECT   46   54   54                                                 
CONECT   47   54  114                                                 
CONECT   48   54  115                                                 
CONECT   49   27  116                                                 
CONECT   50    4   28                                                 
CONECT   51   28   28                                                 
CONECT   52   38   36   36   37                                       
CONECT   52   35                                                      
CONECT   53   44   44   42   43                                       
CONECT   53   41                                                      
CONECT   54   46   46   47   45                                       
CONECT   54   48                                                      
CONECT   55   17                                                      
CONECT   56    1                                                      
CONECT   57    1                                                      
CONECT   58    2                                                      
CONECT   59    2                                                      
CONECT   60    3                                                      
CONECT   61    3                                                      
CONECT   62    4                                                      
CONECT   63    5                                                      
CONECT   64    5                                                      
CONECT   65    7                                                      
CONECT   66    7                                                      
CONECT   67    8                                                      
CONECT   68    8                                                      
CONECT   69    9                                                      
CONECT   70    9                                                      
CONECT   71    9                                                      
CONECT   72   10                                                      
CONECT   73   10                                                      
CONECT   74   11                                                      
CONECT   75   11                                                      
CONECT   76   12                                                      
CONECT   77   12                                                      
CONECT   78   13                                                      
CONECT   79   13                                                      
CONECT   80   14                                                      
CONECT   81   14                                                      
CONECT   82   15                                                      
CONECT   83   15                                                      
CONECT   84   16                                                      
CONECT   85   16                                                      
CONECT   86   17                                                      
CONECT   87   18                                                      
CONECT   88   18                                                      
CONECT   89   19                                                      
CONECT   90   19                                                      
CONECT   91   20                                                      
CONECT   92   20                                                      
CONECT   93   21                                                      
CONECT   94   21                                                      
CONECT   95   22                                                      
CONECT   96   23                                                      
CONECT   97   24                                                      
CONECT   98   25                                                      
CONECT   99   26                                                      
CONECT  100   27                                                      
CONECT  101   29                                                      
CONECT  102   29                                                      
CONECT  103   30                                                      
CONECT  104   30                                                      
CONECT  105   31                                                      
CONECT  106   31                                                      
CONECT  107   32                                                      
CONECT  108   32                                                      
CONECT  109   37                                                      
CONECT  110   39                                                      
CONECT  111   40                                                      
CONECT  112   42                                                      
CONECT  113   43                                                      
CONECT  114   47                                                      
CONECT  115   48                                                      
CONECT  116   49                                                      
CONECT  117   32  118  132  133                                       
CONECT  118  117  119  134  135                                       
CONECT  119  118  120  136  137                                       
CONECT  120  119  121  130  138                                       
CONECT  121  120  122  131  139                                       
CONECT  122  121  123  140  141                                       
CONECT  123  122  124  142  143                                       
CONECT  124  123  125  144  145                                       
CONECT  125  124  126  146  147                                       
CONECT  126  125  127  148  149                                       
CONECT  127  126  128  150  151                                       
CONECT  128  127  129  152  153                                       
CONECT  129  128  154  155  156                                       
CONECT  130  120                                                      
CONECT  131  121                                                      
CONECT  132  117                                                      
CONECT  133  117                                                      
CONECT  134  118                                                      
CONECT  135  118                                                      
CONECT  136  119                                                      
CONECT  137  119                                                      
CONECT  138  120                                                      
CONECT  139  121                                                      
CONECT  140  122                                                      
CONECT  141  122                                                      
CONECT  142  123                                                      
CONECT  143  123                                                      
CONECT  144  124                                                      
CONECT  145  124                                                      
CONECT  146  125                                                      
CONECT  147  125                                                      
CONECT  148  126                                                      
CONECT  149  126                                                      
CONECT  150  127                                                      
CONECT  151  127                                                      
CONECT  152  128                                                      
CONECT  153  128                                                      
CONECT  154  129                                                      
CONECT  155  129                                                      
CONECT  156  129                                                      
MASTER        0    0    0    0    0    0    0    0  156    0  156    0
END
