COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -19.384   5.205   0.171  1.00  0.00           C  
HETATM    2  C   UNL     1     -18.526   3.943   0.283  1.00  0.00           C  
HETATM    3  C   UNL     1     -17.046   4.325   0.217  1.00  0.00           C  
HETATM    4  C   UNL     1     -16.188   3.063   0.330  1.00  0.00           C  
HETATM    5  C   UNL     1     -14.708   3.445   0.263  1.00  0.00           C  
HETATM    6  C   UNL     1     -13.850   2.183   0.376  1.00  0.00           C  
HETATM    7  C   UNL     1     -12.370   2.565   0.309  1.00  0.00           C  
HETATM    8  C   UNL     1     -11.512   1.304   0.422  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.032   1.686   0.356  1.00  0.00           C  
HETATM   10 BR   UNL     1      -9.627   2.433  -1.417  1.00  0.00          Br  
HETATM   11  C   UNL     1      -9.173   0.442   0.593  1.00  0.00           C  
HETATM   12 BR   UNL     1      -9.566  -0.900  -0.789  1.00  0.00          Br  
HETATM   13  C   UNL     1      -7.693   0.824   0.527  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.836  -0.391   0.886  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.356  -0.009   0.820  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.499  -1.225   1.180  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.019  -0.842   1.113  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.162  -2.058   1.473  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.682  -1.676   1.407  1.00  0.00           C  
HETATM   20  C   UNL     1       0.163  -2.873   1.761  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.365  -3.923   2.039  1.00  0.00           O  
HETATM   22  O   UNL     1       1.501  -2.771   1.769  1.00  0.00           O  
HETATM   23  C   UNL     1       2.314  -3.925   2.110  1.00  0.00           C  
HETATM   24  C   UNL     1       2.637  -4.715   0.841  1.00  0.00           C  
HETATM   25  O   UNL     1       3.453  -3.919  -0.021  1.00  0.00           O  
HETATM   26  P   UNL     1       3.752  -4.808  -1.330  1.00  0.00           P  
HETATM   27  O   UNL     1       4.350  -6.100  -0.923  1.00  0.00           O  
HETATM   28  O   UNL     1       2.376  -5.079  -2.121  1.00  0.00           O  
HETATM   29  O   UNL     1       4.777  -4.021  -2.290  1.00  0.00           O  
HETATM   30  C   UNL     1       5.094  -4.904  -3.368  1.00  0.00           C  
HETATM   31  C   UNL     1       6.070  -4.214  -4.323  1.00  0.00           C  
HETATM   32  N   UNL     1       7.343  -3.972  -3.632  1.00  0.00           N  
HETATM   33  C   UNL     1       3.616  -3.455   2.764  1.00  0.00           C  
HETATM   34  O   UNL     1       4.399  -2.705   1.798  1.00  0.00           O  
HETATM   35  C   UNL     1       5.588  -2.193   2.152  1.00  0.00           C  
HETATM   36  O   UNL     1       6.007  -2.356   3.273  1.00  0.00           O  
HETATM   37  C   UNL     1       6.401  -1.414   1.149  1.00  0.00           C  
HETATM   38  C   UNL     1       7.703  -0.945   1.803  1.00  0.00           C  
HETATM   39  C   UNL     1       8.528  -0.155   0.785  1.00  0.00           C  
HETATM   40  C   UNL     1       9.829   0.314   1.439  1.00  0.00           C  
HETATM   41  C   UNL     1      10.655   1.105   0.421  1.00  0.00           C  
HETATM   42  C   UNL     1      11.956   1.574   1.074  1.00  0.00           C  
HETATM   43  C   UNL     1      12.781   2.364   0.057  1.00  0.00           C  
HETATM   44  C   UNL     1      14.083   2.834   0.710  1.00  0.00           C  
HETATM   45  C   UNL     1      14.908   3.624  -0.307  1.00  0.00           C  
HETATM   46  C   UNL     1      16.210   4.093   0.346  1.00  0.00           C  
HETATM   47  C   UNL     1      17.035   4.884  -0.671  1.00  0.00           C  
HETATM   48  C   UNL     1      18.337   5.353  -0.018  1.00  0.00           C  
HETATM   49  C   UNL     1      19.162   6.143  -1.035  1.00  0.00           C  
HETATM   50  C   UNL     1      20.463   6.612  -0.382  1.00  0.00           C  
HETATM   51  C   UNL     1      21.289   7.403  -1.400  1.00  0.00           C  
HETATM   52  H   UNL     1     -19.146   5.880   0.992  1.00  0.00           H  
HETATM   53  H   UNL     1     -19.179   5.700  -0.778  1.00  0.00           H  
HETATM   54  H   UNL     1     -20.438   4.932   0.218  1.00  0.00           H  
HETATM   55  H   UNL     1     -18.764   3.267  -0.538  1.00  0.00           H  
HETATM   56  H   UNL     1     -18.731   3.448   1.232  1.00  0.00           H  
HETATM   57  H   UNL     1     -16.808   5.001   1.038  1.00  0.00           H  
HETATM   58  H   UNL     1     -16.841   4.820  -0.732  1.00  0.00           H  
HETATM   59  H   UNL     1     -16.426   2.387  -0.492  1.00  0.00           H  
HETATM   60  H   UNL     1     -16.393   2.568   1.279  1.00  0.00           H  
HETATM   61  H   UNL     1     -14.470   4.121   1.085  1.00  0.00           H  
HETATM   62  H   UNL     1     -14.503   3.940  -0.686  1.00  0.00           H  
HETATM   63  H   UNL     1     -14.088   1.508  -0.445  1.00  0.00           H  
HETATM   64  H   UNL     1     -14.055   1.688   1.325  1.00  0.00           H  
HETATM   65  H   UNL     1     -12.132   3.241   1.131  1.00  0.00           H  
HETATM   66  H   UNL     1     -12.165   3.061  -0.640  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.750   0.628  -0.399  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.717   0.808   1.371  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.814   2.429   1.122  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.397   0.027   1.576  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.494   1.631   1.232  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.448   1.155  -0.483  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.035  -1.198   0.181  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.081  -0.723   1.896  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.157   0.797   1.525  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.111   0.322  -0.189  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.698  -2.031   0.474  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.744  -1.556   2.189  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.820  -0.036   1.819  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.774  -0.511   0.104  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.361  -2.864   0.768  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.406  -2.389   2.482  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.483  -0.869   2.112  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.437  -1.344   0.398  1.00  0.00           H  
HETATM   85  H   UNL     1       1.768  -4.562   2.806  1.00  0.00           H  
HETATM   86  H   UNL     1       3.171  -5.627   1.107  1.00  0.00           H  
HETATM   87  H   UNL     1       1.710  -4.973   0.328  1.00  0.00           H  
HETATM   88  H   UNL     1       2.021  -4.214  -2.368  1.00  0.00           H  
HETATM   89  H   UNL     1       5.553  -5.811  -2.973  1.00  0.00           H  
HETATM   90  H   UNL     1       4.182  -5.164  -3.906  1.00  0.00           H  
HETATM   91  H   UNL     1       6.243  -4.852  -5.190  1.00  0.00           H  
HETATM   92  H   UNL     1       5.648  -3.264  -4.650  1.00  0.00           H  
HETATM   93  H   UNL     1       7.746  -4.877  -3.441  1.00  0.00           H  
HETATM   94  H   UNL     1       7.952  -3.518  -4.296  1.00  0.00           H  
HETATM   95  H   UNL     1       4.186  -4.321   3.100  1.00  0.00           H  
HETATM   96  H   UNL     1       3.385  -2.818   3.617  1.00  0.00           H  
HETATM   97  H   UNL     1       5.831  -0.549   0.813  1.00  0.00           H  
HETATM   98  H   UNL     1       6.632  -2.051   0.296  1.00  0.00           H  
HETATM   99  H   UNL     1       8.273  -1.811   2.139  1.00  0.00           H  
HETATM  100  H   UNL     1       7.472  -0.308   2.656  1.00  0.00           H  
HETATM  101  H   UNL     1       7.958   0.711   0.449  1.00  0.00           H  
HETATM  102  H   UNL     1       8.759  -0.792  -0.069  1.00  0.00           H  
HETATM  103  H   UNL     1      10.400  -0.551   1.775  1.00  0.00           H  
HETATM  104  H   UNL     1       9.598   0.951   2.292  1.00  0.00           H  
HETATM  105  H   UNL     1      10.084   1.971   0.085  1.00  0.00           H  
HETATM  106  H   UNL     1      10.886   0.468  -0.433  1.00  0.00           H  
HETATM  107  H   UNL     1      12.527   0.708   1.411  1.00  0.00           H  
HETATM  108  H   UNL     1      11.725   2.211   1.928  1.00  0.00           H  
HETATM  109  H   UNL     1      12.211   3.230  -0.280  1.00  0.00           H  
HETATM  110  H   UNL     1      13.013   1.727  -0.797  1.00  0.00           H  
HETATM  111  H   UNL     1      14.653   1.968   1.047  1.00  0.00           H  
HETATM  112  H   UNL     1      13.852   3.471   1.564  1.00  0.00           H  
HETATM  113  H   UNL     1      14.338   4.490  -0.644  1.00  0.00           H  
HETATM  114  H   UNL     1      15.139   2.987  -1.161  1.00  0.00           H  
HETATM  115  H   UNL     1      16.780   3.227   0.683  1.00  0.00           H  
HETATM  116  H   UNL     1      15.979   4.730   1.200  1.00  0.00           H  
HETATM  117  H   UNL     1      16.465   5.749  -1.008  1.00  0.00           H  
HETATM  118  H   UNL     1      17.266   4.247  -1.525  1.00  0.00           H  
HETATM  119  H   UNL     1      18.907   4.487   0.318  1.00  0.00           H  
HETATM  120  H   UNL     1      18.105   5.990   0.836  1.00  0.00           H  
HETATM  121  H   UNL     1      18.591   7.009  -1.372  1.00  0.00           H  
HETATM  122  H   UNL     1      19.393   5.506  -1.889  1.00  0.00           H  
HETATM  123  H   UNL     1      21.034   5.747  -0.046  1.00  0.00           H  
HETATM  124  H   UNL     1      20.232   7.249   0.472  1.00  0.00           H  
HETATM  125  H   UNL     1      22.216   7.737  -0.934  1.00  0.00           H  
HETATM  126  H   UNL     1      21.520   6.766  -2.253  1.00  0.00           H  
HETATM  127  H   UNL     1      20.718   8.269  -1.736  1.00  0.00           H  
CONECT    1    2   52   53   54                                       
CONECT    2    1    3   55   56                                       
CONECT    3    2    4   57   58                                       
CONECT    4    3    5   59   60                                       
CONECT    5    4    6   61   62                                       
CONECT    6    5    7   63   64                                       
CONECT    7    6    8   65   66                                       
CONECT    8    7    9   67   68                                       
CONECT    9    8   10   11   69                                       
CONECT   10    9                                                      
CONECT   11    9   12   13   70                                       
CONECT   12   11                                                      
CONECT   13   11   14   71   72                                       
CONECT   14   13   15   73   74                                       
CONECT   15   14   16   75   76                                       
CONECT   16   15   17   77   78                                       
CONECT   17   16   18   79   80                                       
CONECT   18   17   19   81   82                                       
CONECT   19   18   20   83   84                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23                                                 
CONECT   23   22   24   33   85                                       
CONECT   24   23   25   86   87                                       
CONECT   25   24   26                                                 
CONECT   26   25   27   27   28                                       
CONECT   26   29                                                      
CONECT   27   26   26                                                 
CONECT   28   26   88                                                 
CONECT   29   26   30                                                 
CONECT   30   29   31   89   90                                       
CONECT   31   30   32   91   92                                       
CONECT   32   31   93   94                                            
CONECT   33   23   34   95   96                                       
CONECT   34   33   35                                                 
CONECT   35   34   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   38   97   98                                       
CONECT   38   37   39   99  100                                       
CONECT   39   38   40  101  102                                       
CONECT   40   39   41  103  104                                       
CONECT   41   40   42  105  106                                       
CONECT   42   41   43  107  108                                       
CONECT   43   42   44  109  110                                       
CONECT   44   43   45  111  112                                       
CONECT   45   44   46  113  114                                       
CONECT   46   45   47  115  116                                       
CONECT   47   46   48  117  118                                       
CONECT   48   47   49  119  120                                       
CONECT   49   48   50  121  122                                       
CONECT   50   49   51  123  124                                       
CONECT   51   50  125  126  127                                       
CONECT   52    1                                                      
CONECT   53    1                                                      
CONECT   54    1                                                      
CONECT   55    2                                                      
CONECT   56    2                                                      
CONECT   57    3                                                      
CONECT   58    3                                                      
CONECT   59    4                                                      
CONECT   60    4                                                      
CONECT   61    5                                                      
CONECT   62    5                                                      
CONECT   63    6                                                      
CONECT   64    6                                                      
CONECT   65    7                                                      
CONECT   66    7                                                      
CONECT   67    8                                                      
CONECT   68    8                                                      
CONECT   69    9                                                      
CONECT   70   11                                                      
CONECT   71   13                                                      
CONECT   72   13                                                      
CONECT   73   14                                                      
CONECT   74   14                                                      
CONECT   75   15                                                      
CONECT   76   15                                                      
CONECT   77   16                                                      
CONECT   78   16                                                      
CONECT   79   17                                                      
CONECT   80   17                                                      
CONECT   81   18                                                      
CONECT   82   18                                                      
CONECT   83   19                                                      
CONECT   84   19                                                      
CONECT   85   23                                                      
CONECT   86   24                                                      
CONECT   87   24                                                      
CONECT   88   28                                                      
CONECT   89   30                                                      
CONECT   90   30                                                      
CONECT   91   31                                                      
CONECT   92   31                                                      
CONECT   93   32                                                      
CONECT   94   32                                                      
CONECT   95   33                                                      
CONECT   96   33                                                      
CONECT   97   37                                                      
CONECT   98   37                                                      
CONECT   99   38                                                      
CONECT  100   38                                                      
CONECT  101   39                                                      
CONECT  102   39                                                      
CONECT  103   40                                                      
CONECT  104   40                                                      
CONECT  105   41                                                      
CONECT  106   41                                                      
CONECT  107   42                                                      
CONECT  108   42                                                      
CONECT  109   43                                                      
CONECT  110   43                                                      
CONECT  111   44                                                      
CONECT  112   44                                                      
CONECT  113   45                                                      
CONECT  114   45                                                      
CONECT  115   46                                                      
CONECT  116   46                                                      
CONECT  117   47                                                      
CONECT  118   47                                                      
CONECT  119   48                                                      
CONECT  120   48                                                      
CONECT  121   49                                                      
CONECT  122   49                                                      
CONECT  123   50                                                      
CONECT  124   50                                                      
CONECT  125   51                                                      
CONECT  126   51                                                      
CONECT  127   51                                                      
MASTER        0    0    0    0    0    0    0    0  127    0  127    0
END
