COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.716   1.609  -1.714  1.00  0.00           C  
HETATM    2  C   UNL     1       6.494   3.197   1.276  1.00  0.00           C  
HETATM    3  C   UNL     1       8.111   3.513  -0.122  1.00  0.00           C  
HETATM    4  C   UNL     1       6.086  -1.360  -1.426  1.00  0.00           C  
HETATM    5  C   UNL     1       4.563  -1.245  -1.522  1.00  0.00           C  
HETATM    6  C   UNL     1       2.625  -1.495  -0.167  1.00  0.00           C  
HETATM    7 CL   UNL     1       8.214  -2.590  -0.083  1.00  0.00          Cl  
HETATM    8  C   UNL     1       9.245  -1.236   0.257  1.00  0.00           C  
HETATM    9  C   UNL     1       9.002  -0.013  -0.343  1.00  0.00           C  
HETATM   10  C   UNL     1       9.823   1.066  -0.072  1.00  0.00           C  
HETATM   11  C   UNL     1      10.887   0.923   0.799  1.00  0.00           C  
HETATM   12  C   UNL     1      11.131  -0.299   1.400  1.00  0.00           C  
HETATM   13 CL   UNL     1      12.467  -0.477   2.493  1.00  0.00          Cl  
HETATM   14  C   UNL     1      10.306  -1.377   1.133  1.00  0.00           C  
HETATM   15  C   UNL     1       7.843   0.143  -1.293  1.00  0.00           C  
HETATM   16  N   UNL     1       7.428   2.431  -0.536  1.00  0.00           N  
HETATM   17  N   UNL     1       6.386   2.244   0.387  1.00  0.00           N  
HETATM   18  N   UNL     1       7.537   3.965   0.963  1.00  0.00           N  
HETATM   19  O   UNL     1       6.634  -0.278  -0.646  1.00  0.00           O  
HETATM   20  O   UNL     1       3.982  -1.552  -0.254  1.00  0.00           O  
HETATM   21  C   UNL     1       1.996  -1.781   1.036  1.00  0.00           C  
HETATM   22  C   UNL     1       0.619  -1.724   1.125  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.135  -1.381   0.011  1.00  0.00           C  
HETATM   24  C   UNL     1       0.496  -1.095  -1.192  1.00  0.00           C  
HETATM   25  C   UNL     1       1.873  -1.147  -1.278  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.531  -1.324   0.100  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.126  -0.943  -1.188  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.651  -0.969  -1.070  1.00  0.00           C  
HETATM   29  N   UNL     1      -4.074  -0.048  -0.005  1.00  0.00           N  
HETATM   30  C   UNL     1      -5.469   0.010   0.084  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.128   1.217  -0.109  1.00  0.00           C  
HETATM   32 BR   UNL     1      -5.141   2.785  -0.487  1.00  0.00          Br  
HETATM   33  C   UNL     1      -7.506   1.272  -0.026  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.195  -1.141   0.361  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.571  -1.085   0.449  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.231   0.121   0.250  1.00  0.00           C  
HETATM   37  N   UNL     1      -9.631   0.177   0.334  1.00  0.00           N  
HETATM   38  C   UNL     1     -10.448  -0.863   0.595  1.00  0.00           C  
HETATM   39  N   UNL     1     -11.713  -0.394   0.589  1.00  0.00           N  
HETATM   40  C   UNL     1     -12.930  -1.176   0.821  1.00  0.00           C  
HETATM   41  C   UNL     1     -13.675  -0.612   2.033  1.00  0.00           C  
HETATM   42  C   UNL     1     -13.831  -1.097  -0.414  1.00  0.00           C  
HETATM   43  C   UNL     1     -13.135  -1.773  -1.597  1.00  0.00           C  
HETATM   44  N   UNL     1     -11.648   0.979   0.313  1.00  0.00           N  
HETATM   45  C   UNL     1     -10.403   1.302   0.171  1.00  0.00           C  
HETATM   46  O   UNL     1     -10.107  -2.015   0.799  1.00  0.00           O  
HETATM   47  C   UNL     1      -3.478  -0.429   1.283  1.00  0.00           C  
HETATM   48  C   UNL     1      -1.953  -0.403   1.165  1.00  0.00           C  
HETATM   49  C   UNL     1       6.739  -1.157  -2.816  1.00  0.00           C  
HETATM   50  O   UNL     1       8.056  -0.676  -2.455  1.00  0.00           O  
HETATM   51  H   UNL     1       8.651   1.938  -2.167  1.00  0.00           H  
HETATM   52  H   UNL     1       6.906   1.711  -2.435  1.00  0.00           H  
HETATM   53  H   UNL     1       5.840   3.341   2.123  1.00  0.00           H  
HETATM   54  H   UNL     1       8.979   3.938  -0.605  1.00  0.00           H  
HETATM   55  H   UNL     1       6.372  -2.323  -1.003  1.00  0.00           H  
HETATM   56  H   UNL     1       4.293  -0.229  -1.810  1.00  0.00           H  
HETATM   57  H   UNL     1       4.193  -1.946  -2.271  1.00  0.00           H  
HETATM   58  H   UNL     1       9.632   2.020  -0.540  1.00  0.00           H  
HETATM   59  H   UNL     1      11.528   1.766   1.010  1.00  0.00           H  
HETATM   60  H   UNL     1      10.494  -2.331   1.604  1.00  0.00           H  
HETATM   61  H   UNL     1       2.582  -2.048   1.902  1.00  0.00           H  
HETATM   62  H   UNL     1       0.129  -1.947   2.062  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.090  -0.824  -2.058  1.00  0.00           H  
HETATM   64  H   UNL     1       2.365  -0.924  -2.214  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.799   0.062  -1.457  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.808  -1.647  -1.957  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.095  -0.659  -2.016  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.980  -1.980  -0.828  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.019   2.210  -0.177  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.683  -2.081   0.507  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.136  -1.980   0.663  1.00  0.00           H  
HETATM   72  H   UNL     1     -12.664  -2.216   1.010  1.00  0.00           H  
HETATM   73  H   UNL     1     -14.581  -1.194   2.205  1.00  0.00           H  
HETATM   74  H   UNL     1     -13.034  -0.669   2.912  1.00  0.00           H  
HETATM   75  H   UNL     1     -13.942   0.428   1.844  1.00  0.00           H  
HETATM   76  H   UNL     1     -14.774  -1.604  -0.209  1.00  0.00           H  
HETATM   77  H   UNL     1     -14.025  -0.052  -0.655  1.00  0.00           H  
HETATM   78  H   UNL     1     -12.192  -1.266  -1.801  1.00  0.00           H  
HETATM   79  H   UNL     1     -12.941  -2.818  -1.355  1.00  0.00           H  
HETATM   80  H   UNL     1     -13.776  -1.716  -2.476  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.032   2.293  -0.049  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.796   0.275   2.053  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.805  -1.433   1.552  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.509  -0.713   2.111  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.624   0.608   0.923  1.00  0.00           H  
HETATM   86  H   UNL     1       6.803  -2.100  -3.359  1.00  0.00           H  
HETATM   87  H   UNL     1       6.197  -0.410  -3.397  1.00  0.00           H  
CONECT    1   15   16   51   52                                       
CONECT    2   17   17   18   53                                       
CONECT    3   16   18   18   54                                       
CONECT    4    5   19   49   55                                       
CONECT    5   20    4   56   57                                       
CONECT    6   25   20   21   21                                       
CONECT    7    8                                                      
CONECT    8    9    7   14   14                                       
CONECT    9   15   10   10    8                                       
CONECT   10    9    9   11   58                                       
CONECT   11   10   12   12   59                                       
CONECT   12   11   11   14   13                                       
CONECT   13   12                                                      
CONECT   14    8    8   12   60                                       
CONECT   15   19    1   50    9                                       
CONECT   16    1   17    3                                            
CONECT   17   16    2    2                                            
CONECT   18    3    3    2                                            
CONECT   19    4   15                                                 
CONECT   20    5    6                                                 
CONECT   21    6    6   22   61                                       
CONECT   22   23   23   21   62                                       
CONECT   23   24   26   22   22                                       
CONECT   24   25   25   23   63                                       
CONECT   25   24   24    6   64                                       
CONECT   26   48   23   27                                            
CONECT   27   26   28   65   66                                       
CONECT   28   29   27   67   68                                       
CONECT   29   47   30   28                                            
CONECT   30   31   31   34   29                                       
CONECT   31   32   33   30   30                                       
CONECT   32   31                                                      
CONECT   33   36   36   31   69                                       
CONECT   34   35   35   30   70                                       
CONECT   35   36   34   34   71                                       
CONECT   36   37   33   33   35                                       
CONECT   37   38   45   36                                            
CONECT   38   39   46   46   37                                       
CONECT   39   40   44   38                                            
CONECT   40   42   41   39   72                                       
CONECT   41   40   73   74   75                                       
CONECT   42   43   40   76   77                                       
CONECT   43   42   78   79   80                                       
CONECT   44   39   45   45                                            
CONECT   45   44   44   37   81                                       
CONECT   46   38   38                                                 
CONECT   47   48   29   82   83                                       
CONECT   48   47   26   84   85                                       
CONECT   49    4   50   86   87                                       
CONECT   50   15   49                                                 
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   14                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   40                                                      
CONECT   73   41                                                      
CONECT   74   41                                                      
CONECT   75   41                                                      
CONECT   76   42                                                      
CONECT   77   42                                                      
CONECT   78   43                                                      
CONECT   79   43                                                      
CONECT   80   43                                                      
CONECT   81   45                                                      
CONECT   82   47                                                      
CONECT   83   47                                                      
CONECT   84   48                                                      
CONECT   85   48                                                      
CONECT   86   49                                                      
CONECT   87   49                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
