COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.809  -0.161  -0.256  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.143   0.507  -1.474  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.130  -1.651  -0.387  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.683  -2.340   0.782  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.295  -3.651   0.367  1.00  0.00           C  
HETATM    6  C   UNL     1       0.085  -4.468   1.574  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.875  -5.213   2.235  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.527  -5.963   3.342  1.00  0.00           C  
HETATM    9  C   UNL     1       0.781  -5.969   3.790  1.00  0.00           C  
HETATM   10  C   UNL     1       1.741  -5.225   3.129  1.00  0.00           C  
HETATM   11  C   UNL     1       1.394  -4.478   2.018  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.619  -1.833  -0.539  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.250  -2.409   0.321  1.00  0.00           O  
HETATM   14  N   UNL     1      -3.248  -1.354  -1.631  1.00  0.00           N  
HETATM   15  C   UNL     1      -4.695  -1.530  -1.778  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.437  -0.400  -1.086  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.226   0.185   0.152  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.040   1.215   0.581  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.069   1.664  -0.226  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.280   1.082  -1.460  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.465   0.049  -1.893  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.488  -0.745  -3.182  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.104  -1.423  -3.263  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.180  -0.608  -3.986  1.00  0.00           O  
HETATM   25  C   UNL     1       0.684   0.015   0.029  1.00  0.00           C  
HETATM   26  O   UNL     1       1.444  -0.591  -1.018  1.00  0.00           O  
HETATM   27  C   UNL     1       1.016   1.507   0.103  1.00  0.00           C  
HETATM   28  O   UNL     1       0.167   2.138   1.063  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.032   3.482   0.620  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.828   4.238   1.652  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.179   4.914   2.668  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.910   5.608   3.614  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.290   5.626   3.544  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.940   4.951   2.527  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.209   4.261   1.579  1.00  0.00           C  
HETATM   36  C   UNL     1       2.455   1.682   0.513  1.00  0.00           C  
HETATM   37  O   UNL     1       2.724   2.206   1.573  1.00  0.00           O  
HETATM   38  N   UNL     1       3.444   1.254  -0.298  1.00  0.00           N  
HETATM   39  C   UNL     1       4.843   1.424   0.102  1.00  0.00           C  
HETATM   40  C   UNL     1       5.743   0.867  -0.972  1.00  0.00           C  
HETATM   41  C   UNL     1       6.179   1.683  -2.002  1.00  0.00           C  
HETATM   42  C   UNL     1       7.006   1.171  -2.987  1.00  0.00           C  
HETATM   43  C   UNL     1       7.395  -0.155  -2.942  1.00  0.00           C  
HETATM   44  C   UNL     1       6.959  -0.969  -1.914  1.00  0.00           C  
HETATM   45  C   UNL     1       6.137  -0.457  -0.926  1.00  0.00           C  
HETATM   46 CL   UNL     1       5.591  -1.481   0.365  1.00  0.00          Cl  
HETATM   47  F   UNL     1       5.799   2.979  -2.045  1.00  0.00           F  
HETATM   48  H   UNL     1      -1.389   0.265   0.563  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.610   0.101  -2.171  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.624  -2.056  -1.263  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.127  -4.130  -0.149  1.00  0.00           H  
HETATM   52  H   UNL     1       0.558  -3.580  -0.307  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.897  -5.208   1.885  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.277  -6.544   3.859  1.00  0.00           H  
HETATM   55  H   UNL     1       1.053  -6.554   4.655  1.00  0.00           H  
HETATM   56  H   UNL     1       2.763  -5.229   3.478  1.00  0.00           H  
HETATM   57  H   UNL     1       2.143  -3.897   1.502  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.743  -0.893  -2.318  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.002  -2.492  -1.367  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.423  -0.165   0.783  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.873   1.670   1.547  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.706   2.470   0.108  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.084   1.433  -2.091  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.633  -0.079  -4.033  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.276  -1.496  -3.149  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.183  -2.411  -3.715  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.513  -0.545  -4.892  1.00  0.00           H  
HETATM   68  H   UNL     1       0.930  -0.459   0.979  1.00  0.00           H  
HETATM   69  H   UNL     1       1.196  -0.144  -1.838  1.00  0.00           H  
HETATM   70  H   UNL     1       0.859   1.963  -0.875  1.00  0.00           H  
HETATM   71  H   UNL     1       0.935   3.965   0.482  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.574   3.476  -0.325  1.00  0.00           H  
HETATM   73  H   UNL     1       0.900   4.900   2.722  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.402   6.135   4.408  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.861   6.168   4.283  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.018   4.966   2.473  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.716   3.734   0.784  1.00  0.00           H  
HETATM   78  H   UNL     1       3.229   0.835  -1.145  1.00  0.00           H  
HETATM   79  H   UNL     1       5.056   2.484   0.240  1.00  0.00           H  
HETATM   80  H   UNL     1       5.021   0.893   1.036  1.00  0.00           H  
HETATM   81  H   UNL     1       7.347   1.807  -3.791  1.00  0.00           H  
HETATM   82  H   UNL     1       8.040  -0.554  -3.711  1.00  0.00           H  
HETATM   83  H   UNL     1       7.264  -2.005  -1.880  1.00  0.00           H  
CONECT    1    2    3   25   48                                       
CONECT    2    1   49                                                 
CONECT    3    1    4   12   50                                       
CONECT    4    3    5                                                 
CONECT    5    4    6   51   52                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8   53                                       
CONECT    8    7    9    9   54                                       
CONECT    9    8    8   10   55                                       
CONECT   10    9   11   11   56                                       
CONECT   11    6   10   10   57                                       
CONECT   12    3   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   58                                            
CONECT   15   14   16   23   59                                       
CONECT   16   15   17   17   21                                       
CONECT   17   16   16   18   60                                       
CONECT   18   17   19   19   61                                       
CONECT   19   18   18   20   62                                       
CONECT   20   19   21   21   63                                       
CONECT   21   16   20   20   22                                       
CONECT   22   21   23   64   65                                       
CONECT   23   15   22   24   66                                       
CONECT   24   23   67                                                 
CONECT   25    1   26   27   68                                       
CONECT   26   25   69                                                 
CONECT   27   25   28   36   70                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   71   72                                       
CONECT   30   29   31   31   35                                       
CONECT   31   30   30   32   73                                       
CONECT   32   31   33   33   74                                       
CONECT   33   32   32   34   75                                       
CONECT   34   33   35   35   76                                       
CONECT   35   30   34   34   77                                       
CONECT   36   27   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   39   78                                            
CONECT   39   38   40   79   80                                       
CONECT   40   39   41   41   45                                       
CONECT   41   40   40   42   47                                       
CONECT   42   41   43   43   81                                       
CONECT   43   42   42   44   82                                       
CONECT   44   43   45   45   83                                       
CONECT   45   40   44   44   46                                       
CONECT   46   45                                                      
CONECT   47   41                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   39                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
CONECT   83   44                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
