COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.201  -4.733  -0.204  1.00  0.00           C  
HETATM    2  C   UNL     1       5.199  -4.140  -1.164  1.00  0.00           C  
HETATM    3  C   UNL     1       5.217  -2.618  -1.005  1.00  0.00           C  
HETATM    4  C   UNL     1       5.771   1.696  -2.161  1.00  0.00           C  
HETATM    5  C   UNL     1       6.609   2.177  -1.171  1.00  0.00           C  
HETATM    6  C   UNL     1       7.357   1.296  -0.409  1.00  0.00           C  
HETATM    7  C   UNL     1       7.266  -0.065  -0.638  1.00  0.00           C  
HETATM    8  C   UNL     1       3.233  -1.267  -0.587  1.00  0.00           C  
HETATM    9  C   UNL     1       1.962  -0.608  -1.057  1.00  0.00           C  
HETATM   10  C   UNL     1       1.766   1.550   0.170  1.00  0.00           C  
HETATM   11  C   UNL     1       1.720   2.409  -0.918  1.00  0.00           C  
HETATM   12  C   UNL     1       2.066   3.737  -0.758  1.00  0.00           C  
HETATM   13  C   UNL     1       2.456   4.207   0.482  1.00  0.00           C  
HETATM   14  C   UNL     1       2.240   1.076   2.582  1.00  0.00           C  
HETATM   15  C   UNL     1       0.836   0.780   3.116  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.116   0.542   1.944  1.00  0.00           C  
HETATM   17  C   UNL     1       0.533  -0.328   0.904  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.737  -0.661   2.260  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.356  -0.530   1.022  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.497   0.208  -0.563  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.811  -0.963  -0.829  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.740  -1.332  -0.037  1.00  0.00           C  
HETATM   23 BR   UNL     1     -10.962   0.713  -1.647  1.00  0.00          Br  
HETATM   24  C   UNL     1      -9.113   1.009   0.497  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.042   0.640   1.289  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.192  -0.936   1.890  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.899  -0.355   1.314  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.634  -0.958   0.001  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.488   0.015   1.756  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.524   0.676   0.740  1.00  0.00           O  
HETATM   31  N   UNL     1      -1.330  -0.115   2.434  1.00  0.00           N  
HETATM   32  C   UNL     1       2.166   2.021   1.412  1.00  0.00           C  
HETATM   33  C   UNL     1       2.508   3.351   1.567  1.00  0.00           C  
HETATM   34  O   UNL     1       0.271  -1.511   0.856  1.00  0.00           O  
HETATM   35  N   UNL     1       1.403   0.204   0.027  1.00  0.00           N  
HETATM   36  O   UNL     1       3.634  -1.077   0.541  1.00  0.00           O  
HETATM   37  N   UNL     1       3.925  -2.068  -1.422  1.00  0.00           N  
HETATM   38  O   UNL     1       3.642  -4.023   0.605  1.00  0.00           O  
HETATM   39  N   UNL     1       3.925  -6.051  -0.247  1.00  0.00           N  
HETATM   40  C   UNL     1       2.955  -6.628   0.687  1.00  0.00           C  
HETATM   41  C   UNL     1       6.328  -2.028  -1.877  1.00  0.00           C  
HETATM   42  C   UNL     1       6.427  -0.545  -1.627  1.00  0.00           C  
HETATM   43 CL   UNL     1       8.410   1.898   0.833  1.00  0.00          Cl  
HETATM   44 CL   UNL     1       6.723   3.885  -0.885  1.00  0.00          Cl  
HETATM   45  C   UNL     1       5.681   0.335  -2.388  1.00  0.00           C  
HETATM   46  H   UNL     1       6.190  -4.540  -0.952  1.00  0.00           H  
HETATM   47  H   UNL     1       4.916  -4.395  -2.186  1.00  0.00           H  
HETATM   48  H   UNL     1       5.401  -2.364   0.039  1.00  0.00           H  
HETATM   49  H   UNL     1       5.184   2.382  -2.753  1.00  0.00           H  
HETATM   50  H   UNL     1       7.849  -0.753  -0.044  1.00  0.00           H  
HETATM   51  H   UNL     1       2.178   0.029  -1.914  1.00  0.00           H  
HETATM   52  H   UNL     1       1.241  -1.374  -1.345  1.00  0.00           H  
HETATM   53  H   UNL     1       1.415   2.041  -1.887  1.00  0.00           H  
HETATM   54  H   UNL     1       2.033   4.409  -1.604  1.00  0.00           H  
HETATM   55  H   UNL     1       2.722   5.247   0.605  1.00  0.00           H  
HETATM   56  H   UNL     1       2.839   1.527   3.373  1.00  0.00           H  
HETATM   57  H   UNL     1       2.709   0.145   2.264  1.00  0.00           H  
HETATM   58  H   UNL     1       0.868  -0.110   3.745  1.00  0.00           H  
HETATM   59  H   UNL     1       0.485   1.627   3.704  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.381   1.500   1.497  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.973  -0.290   3.258  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.576  -1.738   2.302  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.111  -1.589  -1.656  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.204  -2.246  -0.245  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.649   1.923   0.705  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.741   1.265   2.116  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.343  -0.556   2.901  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.121  -2.023   1.918  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.004   0.724   1.203  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.820  -0.545  -0.429  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.533  -1.959   0.077  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.301  -0.644   3.247  1.00  0.00           H  
HETATM   73  H   UNL     1       2.812   3.721   2.534  1.00  0.00           H  
HETATM   74  H   UNL     1       3.568  -2.279  -2.299  1.00  0.00           H  
HETATM   75  H   UNL     1       4.369  -6.619  -0.896  1.00  0.00           H  
HETATM   76  H   UNL     1       3.294  -6.463   1.710  1.00  0.00           H  
HETATM   77  H   UNL     1       1.985  -6.152   0.544  1.00  0.00           H  
HETATM   78  H   UNL     1       2.865  -7.699   0.503  1.00  0.00           H  
HETATM   79  H   UNL     1       7.277  -2.503  -1.627  1.00  0.00           H  
HETATM   80  H   UNL     1       6.098  -2.205  -2.927  1.00  0.00           H  
HETATM   81  H   UNL     1       5.023  -0.041  -3.158  1.00  0.00           H  
CONECT    1   38   38   39    2                                       
CONECT    2    1    3   46   47                                       
CONECT    3    2   41   37   48                                       
CONECT    4    5    5   45   49                                       
CONECT    5    6   44    4    4                                       
CONECT    6   43    7    7    5                                       
CONECT    7    6    6   42   50                                       
CONECT    8   36   36   37    9                                       
CONECT    9    8   35   51   52                                       
CONECT   10   11   35   32   32                                       
CONECT   11   12   12   10   53                                       
CONECT   12   11   11   13   54                                       
CONECT   13   12   33   33   55                                       
CONECT   14   32   15   56   57                                       
CONECT   15   16   14   58   59                                       
CONECT   16   17   31   15   60                                       
CONECT   17   35   34   34   16                                       
CONECT   18   29   27   61   62                                       
CONECT   19   25   26   22   22                                       
CONECT   20   24   23   21   21                                       
CONECT   21   20   20   22   63                                       
CONECT   22   19   19   21   64                                       
CONECT   23   20                                                      
CONECT   24   25   25   20   65                                       
CONECT   25   24   24   19   66                                       
CONECT   26   27   19   67   68                                       
CONECT   27   28   18   26   69                                       
CONECT   28   27   70   71                                            
CONECT   29   30   30   31   18                                       
CONECT   30   29   29                                                 
CONECT   31   29   16   72                                            
CONECT   32   10   10   33   14                                       
CONECT   33   13   13   32   73                                       
CONECT   34   17   17                                                 
CONECT   35    9   10   17                                            
CONECT   36    8    8                                                 
CONECT   37    3    8   74                                            
CONECT   38    1    1                                                 
CONECT   39   40    1   75                                            
CONECT   40   39   76   77   78                                       
CONECT   41    3   42   79   80                                       
CONECT   42    7   41   45   45                                       
CONECT   43    6                                                      
CONECT   44    5                                                      
CONECT   45   42   42    4   81                                       
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    7                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   31                                                      
CONECT   73   33                                                      
CONECT   74   37                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
CONECT   78   40                                                      
CONECT   79   41                                                      
CONECT   80   41                                                      
CONECT   81   45                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
