COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.482  -3.009   0.864  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.308  -1.910   0.611  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.042  -0.618   1.267  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.391  -2.041  -0.271  1.00  0.00           C  
HETATM    5  O   UNL     1      -6.051  -5.535  -1.228  1.00  0.00           O  
HETATM    6  C   UNL     1      -5.162  -6.610  -0.918  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.923  -0.061   1.893  1.00  0.00           O  
HETATM    8  N   UNL     1      -3.822  -0.053   1.173  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.276   0.435  -0.651  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.789  -0.643   0.310  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.502   1.166   1.928  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.822   1.650   0.146  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.982   2.227   0.951  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.677   1.283   1.058  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.634  -3.259  -0.884  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.809  -4.343  -0.626  1.00  0.00           C  
HETATM   17  O   UNL     1      -7.198  -0.980  -0.522  1.00  0.00           O  
HETATM   18  C   UNL     1      -8.281  -1.189  -1.431  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.730  -4.212   0.244  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.277   2.678  -0.766  1.00  0.00           N  
HETATM   21  N   UNL     1       0.267   2.242   0.962  1.00  0.00           N  
HETATM   22  O   UNL     1      -0.617   0.295   1.758  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.179   3.281   0.026  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.247   3.631  -1.084  1.00  0.00           C  
HETATM   25  C   UNL     1       1.543   2.247   1.683  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.008   4.977  -0.837  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.451   3.235  -1.653  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.409   4.180  -1.965  1.00  0.00           C  
HETATM   29  C   UNL     1       2.589   1.543   0.858  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.170   5.519  -1.713  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.970   5.916  -1.152  1.00  0.00           C  
HETATM   32  O   UNL     1       2.298   1.083  -0.226  1.00  0.00           O  
HETATM   33  N   UNL     1       3.848   1.425   1.323  1.00  0.00           N  
HETATM   34  C   UNL     1       4.865   0.741   0.521  1.00  0.00           C  
HETATM   35  C   UNL     1       6.197   0.746   1.273  1.00  0.00           C  
HETATM   36  C   UNL     1       7.243   0.042   0.448  1.00  0.00           C  
HETATM   37  C   UNL     1       8.149   0.778  -0.293  1.00  0.00           C  
HETATM   38  C   UNL     1       9.108   0.133  -1.051  1.00  0.00           C  
HETATM   39  C   UNL     1       9.162  -1.250  -1.068  1.00  0.00           C  
HETATM   40 CL   UNL     1      10.368  -2.059  -2.020  1.00  0.00          Cl  
HETATM   41  C   UNL     1       8.257  -1.986  -0.327  1.00  0.00           C  
HETATM   42  C   UNL     1       7.300  -1.340   0.436  1.00  0.00           C  
HETATM   43 CL   UNL     1       6.163  -2.264   1.367  1.00  0.00          Cl  
HETATM   44  H   UNL     1      -3.647  -2.913   1.542  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.147  -6.337  -1.206  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.195  -6.811   0.153  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.467  -7.503  -1.464  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.436   0.039  -1.220  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.074   0.727  -1.335  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.965  -1.008   0.923  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.216  -1.467  -0.260  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.399   1.535   2.424  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.735   0.946   2.670  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.784   2.521   0.274  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.640   3.098   1.509  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.467  -3.364  -1.564  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.936  -1.969  -1.043  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.846  -0.263  -1.542  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.888  -1.493  -2.401  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.091  -5.060   0.440  1.00  0.00           H  
HETATM   61  H   UNL     1       0.641   3.572  -0.631  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.546   4.148   0.575  1.00  0.00           H  
HETATM   63  H   UNL     1       1.854   3.276   1.864  1.00  0.00           H  
HETATM   64  H   UNL     1       1.424   1.730   2.636  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.071   5.288  -0.399  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.638   2.190  -1.850  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.345   3.873  -2.407  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.920   6.256  -1.959  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.785   6.963  -0.961  1.00  0.00           H  
HETATM   70  H   UNL     1       4.081   1.793   2.190  1.00  0.00           H  
HETATM   71  H   UNL     1       4.553  -0.288   0.340  1.00  0.00           H  
HETATM   72  H   UNL     1       4.984   1.257  -0.432  1.00  0.00           H  
HETATM   73  H   UNL     1       6.508   1.774   1.454  1.00  0.00           H  
HETATM   74  H   UNL     1       6.078   0.229   2.226  1.00  0.00           H  
HETATM   75  H   UNL     1       8.106   1.857  -0.281  1.00  0.00           H  
HETATM   76  H   UNL     1       9.816   0.709  -1.630  1.00  0.00           H  
HETATM   77  H   UNL     1       8.298  -3.065  -0.341  1.00  0.00           H  
CONECT    1    2   44   19   19                                       
CONECT    2    1    3    4    4                                       
CONECT    3    2    7    7    8                                       
CONECT    4    2    2   17   15                                       
CONECT    5   16    6                                                 
CONECT    6    5   45   46   47                                       
CONECT    7    3    3                                                 
CONECT    8    3   11   10                                            
CONECT    9   12   48   49   10                                       
CONECT   10    8    9   50   51                                       
CONECT   11    8   13   52   53                                       
CONECT   12    9   20   13   14                                       
CONECT   13   11   12   54   55                                       
CONECT   14   12   21   22   22                                       
CONECT   15    4   56   16   16                                       
CONECT   16    5   15   15   19                                       
CONECT   17    4   18                                                 
CONECT   18   17   57   58   59                                       
CONECT   19    1    1   16   60                                       
CONECT   20   12   24   23                                            
CONECT   21   14   23   25                                            
CONECT   22   14   14                                                 
CONECT   23   21   20   61   62                                       
CONECT   24   20   26   26   27                                       
CONECT   25   21   29   63   64                                       
CONECT   26   24   24   31   65                                       
CONECT   27   24   28   28   66                                       
CONECT   28   27   27   30   67                                       
CONECT   29   25   32   32   33                                       
CONECT   30   28   68   31   31                                       
CONECT   31   26   30   30   69                                       
CONECT   32   29   29                                                 
CONECT   33   29   34   70                                            
CONECT   34   33   71   72   35                                       
CONECT   35   34   73   74   36                                       
CONECT   36   35   37   42   42                                       
CONECT   37   36   75   38   38                                       
CONECT   38   37   37   76   39                                       
CONECT   39   38   40   41   41                                       
CONECT   40   39                                                      
CONECT   41   39   39   42   77                                       
CONECT   42   41   36   36   43                                       
CONECT   43   42                                                      
CONECT   44    1                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   15                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   41                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
