COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.414  -1.139   0.797  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.443  -0.343  -0.117  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.622  -3.610   0.818  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.605  -4.772   0.975  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.848  -6.075   0.965  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.646  -6.074   0.845  1.00  0.00           O  
HETATM    7  O   UNL     1      -2.510  -7.236   1.090  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.485  -2.781  -0.314  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.867  -3.345   0.693  1.00  0.00           O  
HETATM   10  C   UNL     1      -5.364  -2.713  -1.501  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.632  -3.294  -1.469  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.931  -2.062  -2.657  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.447  -3.227  -2.580  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.753  -2.006  -3.763  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.010  -2.585  -3.724  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.261  -2.219  -0.349  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.390  -2.287   0.828  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.509  -0.997   1.786  1.00  0.00           N  
HETATM   19  C   UNL     1       0.439   0.119   1.756  1.00  0.00           C  
HETATM   20  C   UNL     1       1.671  -0.248   2.544  1.00  0.00           C  
HETATM   21  O   UNL     1       1.748  -1.334   3.078  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.211   1.358   2.373  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.370   1.797   1.515  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.636   1.297   1.756  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.699   1.699   0.969  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.168   2.704   0.492  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.230   3.103  -0.298  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.496   2.602  -0.058  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.654   3.040  -0.917  1.00  0.00           C  
HETATM   30  F   UNL     1      -4.205   3.279  -2.220  1.00  0.00           F  
HETATM   31  F   UNL     1      -5.627   2.035  -0.936  1.00  0.00           F  
HETATM   32  P   UNL     1      -5.374   4.569  -0.232  1.00  0.00           P  
HETATM   33  O   UNL     1      -6.456   5.046  -1.122  1.00  0.00           O  
HETATM   34  O   UNL     1      -5.974   4.271   1.232  1.00  0.00           O  
HETATM   35  O   UNL     1      -4.231   5.698  -0.124  1.00  0.00           O  
HETATM   36  N   UNL     1       2.686   0.632   2.656  1.00  0.00           N  
HETATM   37  C   UNL     1       3.882   0.276   3.422  1.00  0.00           C  
HETATM   38  C   UNL     1       5.074   1.091   2.915  1.00  0.00           C  
HETATM   39  C   UNL     1       5.381   0.700   1.492  1.00  0.00           C  
HETATM   40  C   UNL     1       4.774   1.368   0.445  1.00  0.00           C  
HETATM   41  C   UNL     1       5.055   1.010  -0.860  1.00  0.00           C  
HETATM   42  C   UNL     1       6.273  -0.324   1.234  1.00  0.00           C  
HETATM   43  C   UNL     1       6.551  -0.685  -0.071  1.00  0.00           C  
HETATM   44  C   UNL     1       5.944  -0.017  -1.118  1.00  0.00           C  
HETATM   45  C   UNL     1       6.249  -0.409  -2.541  1.00  0.00           C  
HETATM   46  F   UNL     1       6.584  -1.766  -2.589  1.00  0.00           F  
HETATM   47  F   UNL     1       5.125  -0.177  -3.340  1.00  0.00           F  
HETATM   48  P   UNL     1       7.649   0.584  -3.157  1.00  0.00           P  
HETATM   49  O   UNL     1       7.870   0.289  -4.590  1.00  0.00           O  
HETATM   50  O   UNL     1       7.316   2.149  -2.977  1.00  0.00           O  
HETATM   51  O   UNL     1       8.976   0.218  -2.322  1.00  0.00           O  
HETATM   52  C   UNL     1       3.653   0.577   4.881  1.00  0.00           C  
HETATM   53  O   UNL     1       2.594   1.042   5.244  1.00  0.00           O  
HETATM   54  N   UNL     1       4.624   0.328   5.781  1.00  0.00           N  
HETATM   55  H   UNL     1      -1.086  -3.712  -0.126  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.910  -3.623   1.643  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.141  -4.670   1.918  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.317  -4.759   0.149  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.024  -8.072   1.083  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.975  -3.797  -0.576  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.950  -1.610  -2.689  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.429  -3.676  -2.556  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.418  -1.506  -4.660  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.651  -2.535  -4.592  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.956  -1.769  -1.152  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.996  -2.225   1.732  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.486  -1.634   2.517  1.00  0.00           H  
HETATM   68  H   UNL     1       0.719   0.331   0.724  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.570   1.119   3.374  1.00  0.00           H  
HETATM   70  H   UNL     1       0.522   2.162   2.432  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.795   0.591   2.558  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.688   1.308   1.156  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.179   3.095   0.305  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.071   3.808  -1.100  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.238   3.964   1.778  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.653   6.488   0.241  1.00  0.00           H  
HETATM   77  H   UNL     1       2.624   1.501   2.229  1.00  0.00           H  
HETATM   78  H   UNL     1       4.090  -0.787   3.299  1.00  0.00           H  
HETATM   79  H   UNL     1       4.832   2.153   2.956  1.00  0.00           H  
HETATM   80  H   UNL     1       5.943   0.892   3.542  1.00  0.00           H  
HETATM   81  H   UNL     1       4.079   2.171   0.647  1.00  0.00           H  
HETATM   82  H   UNL     1       4.580   1.532  -1.677  1.00  0.00           H  
HETATM   83  H   UNL     1       6.748  -0.845   2.051  1.00  0.00           H  
HETATM   84  H   UNL     1       7.245  -1.488  -0.273  1.00  0.00           H  
HETATM   85  H   UNL     1       8.080   2.638  -3.314  1.00  0.00           H  
HETATM   86  H   UNL     1       8.822   0.505  -1.412  1.00  0.00           H  
HETATM   87  H   UNL     1       4.476   0.522   6.720  1.00  0.00           H  
HETATM   88  H   UNL     1       5.470  -0.048   5.491  1.00  0.00           H  
CONECT    1    2    2   17   18                                       
CONECT    2    1    1                                                 
CONECT    3    4   17   55   56                                       
CONECT    4    3    5   57   58                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5   59                                                 
CONECT    8    9    9   10   16                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   11   12                                       
CONECT   11   10   10   13   60                                       
CONECT   12   10   14   14   61                                       
CONECT   13   11   15   15   62                                       
CONECT   14   12   12   15   63                                       
CONECT   15   13   13   14   64                                       
CONECT   16    8   17   65                                            
CONECT   17    1    3   16   66                                       
CONECT   18    1   19   67                                            
CONECT   19   18   20   22   68                                       
CONECT   20   19   21   21   36                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   69   70                                       
CONECT   23   22   24   24   26                                       
CONECT   24   23   23   25   71                                       
CONECT   25   24   28   28   72                                       
CONECT   26   23   27   27   73                                       
CONECT   27   26   26   28   74                                       
CONECT   28   25   25   27   29                                       
CONECT   29   28   30   31   32                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29   33   33   34                                       
CONECT   32   35                                                      
CONECT   33   32   32                                                 
CONECT   34   32   75                                                 
CONECT   35   32   76                                                 
CONECT   36   20   37   77                                            
CONECT   37   36   38   52   78                                       
CONECT   38   37   39   79   80                                       
CONECT   39   38   40   40   42                                       
CONECT   40   39   39   41   81                                       
CONECT   41   40   44   44   82                                       
CONECT   42   39   43   43   83                                       
CONECT   43   42   42   44   84                                       
CONECT   44   41   41   43   45                                       
CONECT   45   44   46   47   48                                       
CONECT   46   45                                                      
CONECT   47   45                                                      
CONECT   48   45   49   49   50                                       
CONECT   48   51                                                      
CONECT   49   48   48                                                 
CONECT   50   48   85                                                 
CONECT   51   48   86                                                 
CONECT   52   37   53   53   54                                       
CONECT   53   52   52                                                 
CONECT   54   52   87   88                                            
CONECT   55    3                                                      
CONECT   56    3                                                      
CONECT   57    4                                                      
CONECT   58    4                                                      
CONECT   59    7                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
CONECT   83   42                                                      
CONECT   84   43                                                      
CONECT   85   50                                                      
CONECT   86   51                                                      
CONECT   87   54                                                      
CONECT   88   54                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
