COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.420  -0.631  -6.292  1.00  0.00           N  
HETATM    2  C   UNL     1       2.943  -0.839  -4.918  1.00  0.00           C  
HETATM    3  C   UNL     1       3.965  -0.271  -3.931  1.00  0.00           C  
HETATM    4  C   UNL     1       3.468  -0.487  -2.501  1.00  0.00           C  
HETATM    5  C   UNL     1       4.491   0.081  -1.514  1.00  0.00           C  
HETATM    6  C   UNL     1       3.994  -0.135  -0.084  1.00  0.00           C  
HETATM    7  N   UNL     1       2.783   0.660   0.139  1.00  0.00           N  
HETATM    8  C   UNL     1       1.580   0.168  -0.216  1.00  0.00           C  
HETATM    9  O   UNL     1       1.499  -0.933  -0.719  1.00  0.00           O  
HETATM   10  C   UNL     1       0.335   0.985   0.013  1.00  0.00           C  
HETATM   11  C   UNL     1       0.439   2.301  -0.762  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.748   3.171  -0.437  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.900   3.077  -1.195  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.990   3.874  -0.900  1.00  0.00           C  
HETATM   15 BR   UNL     1      -4.566   3.745  -1.938  1.00  0.00          Br  
HETATM   16  C   UNL     1      -2.928   4.768   0.160  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.999   5.552   0.453  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.770   4.859   0.920  1.00  0.00           C  
HETATM   19 BR   UNL     1      -1.680   6.076   2.364  1.00  0.00          Br  
HETATM   20  C   UNL     1      -0.685   4.056   0.623  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.834   0.236  -0.454  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.050   0.490   0.068  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.191   1.392   0.871  1.00  0.00           O  
HETATM   24  N   UNL     1      -3.111  -0.256  -0.300  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.419  -0.064   0.341  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.913  -1.415   0.868  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.916  -2.434  -0.274  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.491  -2.613  -0.803  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.983  -1.271  -1.353  1.00  0.00           C  
HETATM   30  N   UNL     1      -5.419  -3.718   0.219  1.00  0.00           N  
HETATM   31  C   UNL     1      -6.620  -4.327  -0.377  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.069  -5.653   0.192  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.179  -6.302  -0.297  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.560  -7.516   0.249  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.827  -8.072   1.282  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.712  -7.422   1.775  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.325  -6.204   1.230  1.00  0.00           C  
HETATM   38  N   UNL     1      -5.202  -5.532   1.713  1.00  0.00           N  
HETATM   39  C   UNL     1      -4.786  -4.360   1.218  1.00  0.00           C  
HETATM   40  O   UNL     1      -3.792  -3.848   1.697  1.00  0.00           O  
HETATM   41  C   UNL     1       5.062   0.294   0.889  1.00  0.00           C  
HETATM   42  O   UNL     1       5.040   1.411   1.360  1.00  0.00           O  
HETATM   43  N   UNL     1       6.042  -0.565   1.236  1.00  0.00           N  
HETATM   44  C   UNL     1       7.033  -0.205   2.261  1.00  0.00           C  
HETATM   45  C   UNL     1       8.434  -0.455   1.693  1.00  0.00           C  
HETATM   46  N   UNL     1       8.521  -1.837   1.203  1.00  0.00           N  
HETATM   47  C   UNL     1       7.584  -2.070   0.095  1.00  0.00           C  
HETATM   48  C   UNL     1       6.144  -1.888   0.603  1.00  0.00           C  
HETATM   49  C   UNL     1       9.823  -2.153   0.828  1.00  0.00           C  
HETATM   50  C   UNL     1      10.139  -3.417   0.332  1.00  0.00           C  
HETATM   51  C   UNL     1      11.442  -3.690  -0.027  1.00  0.00           C  
HETATM   52  N   UNL     1      12.383  -2.773   0.093  1.00  0.00           N  
HETATM   53  C   UNL     1      12.125  -1.565   0.559  1.00  0.00           C  
HETATM   54  C   UNL     1      10.847  -1.211   0.935  1.00  0.00           C  
HETATM   55  H   UNL     1       4.334  -1.037  -6.422  1.00  0.00           H  
HETATM   56  H   UNL     1       2.762  -0.998  -6.962  1.00  0.00           H  
HETATM   57  H   UNL     1       1.988  -0.331  -4.784  1.00  0.00           H  
HETATM   58  H   UNL     1       2.816  -1.906  -4.735  1.00  0.00           H  
HETATM   59  H   UNL     1       4.920  -0.778  -4.065  1.00  0.00           H  
HETATM   60  H   UNL     1       4.092   0.797  -4.115  1.00  0.00           H  
HETATM   61  H   UNL     1       2.513   0.021  -2.367  1.00  0.00           H  
HETATM   62  H   UNL     1       3.341  -1.554  -2.318  1.00  0.00           H  
HETATM   63  H   UNL     1       5.446  -0.426  -1.648  1.00  0.00           H  
HETATM   64  H   UNL     1       4.618   1.148  -1.697  1.00  0.00           H  
HETATM   65  H   UNL     1       3.768  -1.191   0.067  1.00  0.00           H  
HETATM   66  H   UNL     1       2.848   1.540   0.541  1.00  0.00           H  
HETATM   67  H   UNL     1       0.229   1.197   1.077  1.00  0.00           H  
HETATM   68  H   UNL     1       1.356   2.817  -0.478  1.00  0.00           H  
HETATM   69  H   UNL     1       0.455   2.093  -1.831  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.948   2.381  -2.020  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.616   5.156   1.082  1.00  0.00           H  
HETATM   72  H   UNL     1       0.215   4.124   1.217  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.733  -0.444  -1.139  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.321   0.637   1.170  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.130   0.325  -0.388  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.250  -1.760   1.662  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.924  -1.305   1.260  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.560  -2.076  -1.078  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.842  -2.947   0.006  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.490  -3.356  -1.601  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.579  -0.979  -2.218  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.936  -1.367  -1.643  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.443  -3.620  -0.271  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.434  -4.464  -1.442  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.751  -5.867  -1.102  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.431  -8.030  -0.131  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.127  -9.018   1.706  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.142  -7.859   2.581  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.697  -5.934   2.437  1.00  0.00           H  
HETATM   90  H   UNL     1       6.925   0.848   2.520  1.00  0.00           H  
HETATM   91  H   UNL     1       6.882  -0.821   3.148  1.00  0.00           H  
HETATM   92  H   UNL     1       8.621   0.235   0.870  1.00  0.00           H  
HETATM   93  H   UNL     1       9.177  -0.299   2.475  1.00  0.00           H  
HETATM   94  H   UNL     1       7.783  -1.357  -0.705  1.00  0.00           H  
HETATM   95  H   UNL     1       7.711  -3.085  -0.281  1.00  0.00           H  
HETATM   96  H   UNL     1       5.910  -2.663   1.333  1.00  0.00           H  
HETATM   97  H   UNL     1       5.449  -1.949  -0.235  1.00  0.00           H  
HETATM   98  H   UNL     1       9.373  -4.172   0.231  1.00  0.00           H  
HETATM   99  H   UNL     1      11.695  -4.667  -0.412  1.00  0.00           H  
HETATM  100  H   UNL     1      12.924  -0.843   0.642  1.00  0.00           H  
HETATM  101  H   UNL     1      10.641  -0.219   1.310  1.00  0.00           H  
CONECT    1    2   55   56                                            
CONECT    2    1    3   57   58                                       
CONECT    3    2    4   59   60                                       
CONECT    4    3    5   61   62                                       
CONECT    5    4    6   63   64                                       
CONECT    6    5    7   41   65                                       
CONECT    7    6    8   66                                            
CONECT    8    7   10    9    9                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   21   67                                       
CONECT   11   10   12   68   69                                       
CONECT   12   11   13   13   20                                       
CONECT   13   12   12   14   70                                       
CONECT   14   13   15   16   16                                       
CONECT   15   14                                                      
CONECT   16   14   14   17   18                                       
CONECT   17   16   71                                                 
CONECT   18   16   20   20   19                                       
CONECT   19   18                                                      
CONECT   20   12   18   18   72                                       
CONECT   21   10   22   73                                            
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   29                                            
CONECT   25   24   26   74   75                                       
CONECT   26   25   27   76   77                                       
CONECT   27   26   28   30   78                                       
CONECT   28   27   29   79   80                                       
CONECT   29   24   28   81   82                                       
CONECT   30   27   39   31                                            
CONECT   31   30   32   83   84                                       
CONECT   32   31   37   37   33                                       
CONECT   33   32   34   34   85                                       
CONECT   34   33   33   35   86                                       
CONECT   35   34   36   36   87                                       
CONECT   36   35   35   37   88                                       
CONECT   37   32   32   36   38                                       
CONECT   38   37   39   89                                            
CONECT   39   30   38   40   40                                       
CONECT   40   39   39                                                 
CONECT   41    6   42   42   43                                       
CONECT   42   41   41                                                 
CONECT   43   41   44   48                                            
CONECT   44   43   45   90   91                                       
CONECT   45   44   46   92   93                                       
CONECT   46   45   47   49                                            
CONECT   47   46   48   94   95                                       
CONECT   48   43   47   96   97                                       
CONECT   49   46   50   50   54                                       
CONECT   50   49   49   51   98                                       
CONECT   51   50   52   52   99                                       
CONECT   52   51   51   53                                            
CONECT   53   52   54   54  100                                       
CONECT   54   49   53   53  101                                       
CONECT   55    1                                                      
CONECT   56    1                                                      
CONECT   57    2                                                      
CONECT   58    2                                                      
CONECT   59    3                                                      
CONECT   60    3                                                      
CONECT   61    4                                                      
CONECT   62    4                                                      
CONECT   63    5                                                      
CONECT   64    5                                                      
CONECT   65    6                                                      
CONECT   66    7                                                      
CONECT   67   10                                                      
CONECT   68   11                                                      
CONECT   69   11                                                      
CONECT   70   13                                                      
CONECT   71   17                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   28                                                      
CONECT   81   29                                                      
CONECT   82   29                                                      
CONECT   83   31                                                      
CONECT   84   31                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   38                                                      
CONECT   90   44                                                      
CONECT   91   44                                                      
CONECT   92   45                                                      
CONECT   93   45                                                      
CONECT   94   47                                                      
CONECT   95   47                                                      
CONECT   96   48                                                      
CONECT   97   48                                                      
CONECT   98   50                                                      
CONECT   99   51                                                      
CONECT  100   53                                                      
CONECT  101   54                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
