COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.450  -8.078  -1.691  1.00  0.00           C  
HETATM    2  C   UNL     1       0.822  -7.770  -0.899  1.00  0.00           C  
HETATM    3  C   UNL     1       0.746  -6.369  -0.351  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.229  -5.683  -0.572  1.00  0.00           O  
HETATM    5  N   UNL     1       1.763  -5.877   0.385  1.00  0.00           N  
HETATM    6  C   UNL     1       1.737  -4.545   0.813  1.00  0.00           C  
HETATM    7  C   UNL     1       2.915  -3.814   0.885  1.00  0.00           C  
HETATM    8  C   UNL     1       2.886  -2.499   1.308  1.00  0.00           C  
HETATM    9  C   UNL     1       0.531  -3.949   1.160  1.00  0.00           C  
HETATM   10  C   UNL     1       0.508  -2.634   1.582  1.00  0.00           C  
HETATM   11  C   UNL     1       1.684  -1.911   1.658  1.00  0.00           C  
HETATM   12  C   UNL     1       1.656  -0.476   2.119  1.00  0.00           C  
HETATM   13  N   UNL     1       1.469   0.404   0.963  1.00  0.00           N  
HETATM   14  C   UNL     1       2.540   0.876   0.295  1.00  0.00           C  
HETATM   15  O   UNL     1       2.386   1.530  -0.718  1.00  0.00           O  
HETATM   16  N   UNL     1       3.783   0.623   0.751  1.00  0.00           N  
HETATM   17  C   UNL     1       4.891   1.207   0.124  1.00  0.00           C  
HETATM   18  C   UNL     1       5.848   1.870   0.881  1.00  0.00           C  
HETATM   19 CL   UNL     1       5.673   1.973   2.605  1.00  0.00          Cl  
HETATM   20  C   UNL     1       5.036   1.120  -1.254  1.00  0.00           C  
HETATM   21 CL   UNL     1       3.844   0.286  -2.202  1.00  0.00          Cl  
HETATM   22  C   UNL     1       6.134   1.699  -1.874  1.00  0.00           C  
HETATM   23  O   UNL     1       6.276   1.614  -3.223  1.00  0.00           O  
HETATM   24  C   UNL     1       7.430   2.233  -3.795  1.00  0.00           C  
HETATM   25  C   UNL     1       7.086   2.366  -1.118  1.00  0.00           C  
HETATM   26  C   UNL     1       6.945   2.448   0.259  1.00  0.00           C  
HETATM   27  O   UNL     1       7.879   3.102   1.000  1.00  0.00           O  
HETATM   28  C   UNL     1       8.978   3.681   0.293  1.00  0.00           C  
HETATM   29  C   UNL     1       0.186   0.753   0.555  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.914   0.445   1.347  1.00  0.00           C  
HETATM   31  N   UNL     1      -0.005   1.393  -0.597  1.00  0.00           N  
HETATM   32  C   UNL     1      -1.217   1.727  -0.991  1.00  0.00           C  
HETATM   33  N   UNL     1      -2.285   1.449  -0.273  1.00  0.00           N  
HETATM   34  C   UNL     1      -2.178   0.816   0.894  1.00  0.00           C  
HETATM   35  N   UNL     1      -3.307   0.531   1.647  1.00  0.00           N  
HETATM   36  C   UNL     1      -4.580   0.795   1.127  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.819   0.648  -0.233  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.074   0.908  -0.746  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.606   1.198   1.972  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.861   1.458   1.460  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.098   1.316   0.099  1.00  0.00           C  
HETATM   42  N   UNL     1      -8.371   1.580  -0.421  1.00  0.00           N  
HETATM   43  C   UNL     1      -8.895   0.414  -1.147  1.00  0.00           C  
HETATM   44  C   UNL     1     -10.249   0.768  -1.765  1.00  0.00           C  
HETATM   45  N   UNL     1     -11.176   1.184  -0.703  1.00  0.00           N  
HETATM   46  C   UNL     1     -12.512   1.461  -1.249  1.00  0.00           C  
HETATM   47  C   UNL     1     -10.652   2.350   0.022  1.00  0.00           C  
HETATM   48  C   UNL     1      -9.297   1.996   0.641  1.00  0.00           C  
HETATM   49  H   UNL     1      -1.316  -7.990  -1.035  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.546  -7.370  -2.514  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.395  -9.091  -2.088  1.00  0.00           H  
HETATM   52  H   UNL     1       0.918  -8.478  -0.076  1.00  0.00           H  
HETATM   53  H   UNL     1       1.688  -7.857  -1.555  1.00  0.00           H  
HETATM   54  H   UNL     1       2.513  -6.446   0.618  1.00  0.00           H  
HETATM   55  H   UNL     1       3.854  -4.273   0.612  1.00  0.00           H  
HETATM   56  H   UNL     1       3.802  -1.930   1.364  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.388  -4.514   1.101  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.429  -2.171   1.852  1.00  0.00           H  
HETATM   59  H   UNL     1       0.833  -0.336   2.820  1.00  0.00           H  
HETATM   60  H   UNL     1       2.598  -0.234   2.612  1.00  0.00           H  
HETATM   61  H   UNL     1       3.911   0.036   1.512  1.00  0.00           H  
HETATM   62  H   UNL     1       7.420   3.299  -3.568  1.00  0.00           H  
HETATM   63  H   UNL     1       8.329   1.781  -3.376  1.00  0.00           H  
HETATM   64  H   UNL     1       7.421   2.091  -4.875  1.00  0.00           H  
HETATM   65  H   UNL     1       7.940   2.816  -1.601  1.00  0.00           H  
HETATM   66  H   UNL     1       9.521   2.898  -0.238  1.00  0.00           H  
HETATM   67  H   UNL     1       8.606   4.414  -0.422  1.00  0.00           H  
HETATM   68  H   UNL     1       9.647   4.171   1.001  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.792  -0.069   2.289  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.338   2.246  -1.931  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.214   0.150   2.534  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.022   0.330  -0.890  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.260   0.793  -1.804  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.421   1.308   3.031  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.659   1.771   2.117  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.197   0.133  -1.936  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.018  -0.420  -0.455  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.122   1.584  -2.477  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.653  -0.104  -2.280  1.00  0.00           H  
HETATM   80  H   UNL     1     -12.904   0.561  -1.723  1.00  0.00           H  
HETATM   81  H   UNL     1     -13.177   1.767  -0.442  1.00  0.00           H  
HETATM   82  H   UNL     1     -12.444   2.260  -1.987  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.529   3.184  -0.669  1.00  0.00           H  
HETATM   84  H   UNL     1     -11.350   2.631   0.811  1.00  0.00           H  
HETATM   85  H   UNL     1      -9.425   1.180   1.352  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.893   2.868   1.155  1.00  0.00           H  
CONECT    1    2   49   50   51                                       
CONECT    2    3    1   52   53                                       
CONECT    3    5    2    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    6    3   54                                            
CONECT    6    7    5    9    9                                       
CONECT    7    8    8    6   55                                       
CONECT    8    7    7   11   56                                       
CONECT    9    6    6   10   57                                       
CONECT   10   11   11    9   58                                       
CONECT   11    8   12   10   10                                       
CONECT   12   13   11   59   60                                       
CONECT   13   14   29   12                                            
CONECT   14   16   15   15   13                                       
CONECT   15   14   14                                                 
CONECT   16   17   14   61                                            
CONECT   17   18   18   20   16                                       
CONECT   18   26   19   17   17                                       
CONECT   19   18                                                      
CONECT   20   22   22   17   21                                       
CONECT   21   20                                                      
CONECT   22   25   23   20   20                                       
CONECT   23   24   22                                                 
CONECT   24   23   62   63   64                                       
CONECT   25   26   26   22   65                                       
CONECT   26   27   25   25   18                                       
CONECT   27   28   26                                                 
CONECT   28   27   66   67   68                                       
CONECT   29   31   13   30   30                                       
CONECT   30   29   29   34   69                                       
CONECT   31   32   32   29                                            
CONECT   32   31   31   33   70                                       
CONECT   33   32   34   34                                            
CONECT   34   33   33   30   35                                       
CONECT   35   34   36   71                                            
CONECT   36   35   37   37   39                                       
CONECT   37   36   36   38   72                                       
CONECT   38   37   41   41   73                                       
CONECT   39   36   40   40   74                                       
CONECT   40   39   39   41   75                                       
CONECT   41   38   38   40   42                                       
CONECT   42   41   43   48                                            
CONECT   43   42   44   76   77                                       
CONECT   44   43   45   78   79                                       
CONECT   45   44   47   46                                            
CONECT   46   45   80   81   82                                       
CONECT   47   48   45   83   84                                       
CONECT   48   42   47   85   86                                       
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    2                                                      
CONECT   54    5                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   12                                                      
CONECT   60   12                                                      
CONECT   61   16                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   28                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   30                                                      
CONECT   70   32                                                      
CONECT   71   35                                                      
CONECT   72   37                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   43                                                      
CONECT   77   43                                                      
CONECT   78   44                                                      
CONECT   79   44                                                      
CONECT   80   46                                                      
CONECT   81   46                                                      
CONECT   82   46                                                      
CONECT   83   47                                                      
CONECT   84   47                                                      
CONECT   85   48                                                      
CONECT   86   48                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
