COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.416  -2.120   0.370  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.380  -0.476  -1.145  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.540  -0.780   0.208  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.769  -0.550   0.830  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.833  -0.017   0.101  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.670   0.286  -1.250  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.443   0.057  -1.874  1.00  0.00           C  
HETATM    8  C   UNL     1       0.617  -2.632   1.296  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.418  -1.329   0.933  1.00  0.00           N  
HETATM   10 CL   UNL     1      -4.013  -0.910   2.502  1.00  0.00          Cl  
HETATM   11  C   UNL     1       0.604  -2.311   2.584  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.479  -1.426   3.057  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.413  -0.984   2.261  1.00  0.00           N  
HETATM   14  O   UNL     1      -0.288  -2.428  -0.814  1.00  0.00           O  
HETATM   15  N   UNL     1      -0.489  -1.068   4.386  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.985   0.217   4.794  1.00  0.00           C  
HETATM   17  C   UNL     1       0.039  -1.936   5.403  1.00  0.00           C  
HETATM   18  C   UNL     1       1.378  -1.808   5.728  1.00  0.00           C  
HETATM   19  C   UNL     1       1.919  -2.635   6.713  1.00  0.00           C  
HETATM   20  C   UNL     1       1.112  -3.575   7.354  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.235  -3.688   7.012  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.776  -2.861   6.027  1.00  0.00           C  
HETATM   23 CL   UNL     1      -2.450  -3.032   5.636  1.00  0.00          Cl  
HETATM   24  F   UNL     1       1.632  -4.369   8.300  1.00  0.00           F  
HETATM   25  C   UNL     1      -0.231   1.372   4.140  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.752   2.752   4.537  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.134   2.957   4.151  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.206   2.708   4.983  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.396   3.051   4.206  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.983   3.483   2.954  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.522   3.421   2.913  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.730   2.993   4.555  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.659   3.390   3.589  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.239   3.828   2.317  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.882   3.878   1.985  1.00  0.00           C  
HETATM   36  O   UNL     1      -3.232   2.290   6.126  1.00  0.00           O  
HETATM   37  O   UNL     1      -1.856   3.732   1.943  1.00  0.00           O  
HETATM   38  H   UNL     1      -1.429  -0.649  -1.643  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.795   0.168   0.572  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.498   0.701  -1.817  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.317   0.294  -2.926  1.00  0.00           H  
HETATM   42  H   UNL     1       1.392  -3.273   0.891  1.00  0.00           H  
HETATM   43  H   UNL     1       1.351  -2.669   3.281  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.042   0.254   4.511  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.926   0.267   5.886  1.00  0.00           H  
HETATM   46  H   UNL     1       2.017  -1.081   5.235  1.00  0.00           H  
HETATM   47  H   UNL     1       2.968  -2.548   6.979  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.850  -4.425   7.522  1.00  0.00           H  
HETATM   49  H   UNL     1       0.831   1.310   4.408  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.295   1.260   3.051  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.678   2.914   5.616  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.165   3.530   4.038  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.053   2.656   5.533  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.721   3.361   3.820  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.983   4.131   1.585  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.560   4.216   1.007  1.00  0.00           H  
CONECT    1    8   14   14    9                                       
CONECT    2    3    7    7   38                                       
CONECT    3    2    9    4    4                                       
CONECT    4    3    3   10    5                                       
CONECT    5    4    6    6   39                                       
CONECT    6    5    5    7   40                                       
CONECT    7    2    2    6   41                                       
CONECT    8    1   11   11   42                                       
CONECT    9    1    3   13                                            
CONECT   10    4                                                      
CONECT   11    8    8   12   43                                       
CONECT   12   11   15   13   13                                       
CONECT   13    9   12   12                                            
CONECT   14    1    1                                                 
CONECT   15   12   17   16                                            
CONECT   16   15   25   44   45                                       
CONECT   17   15   18   22   22                                       
CONECT   18   17   19   19   46                                       
CONECT   19   18   18   20   47                                       
CONECT   20   19   24   21   21                                       
CONECT   21   20   20   22   48                                       
CONECT   22   17   17   21   23                                       
CONECT   23   22                                                      
CONECT   24   20                                                      
CONECT   25   16   26   49   50                                       
CONECT   26   25   27   51   52                                       
CONECT   27   26   28   31                                            
CONECT   28   27   36   36   29                                       
CONECT   29   28   32   30   30                                       
CONECT   30   29   29   35   31                                       
CONECT   31   27   30   37   37                                       
CONECT   32   29   33   33   53                                       
CONECT   33   32   32   34   54                                       
CONECT   34   33   35   35   55                                       
CONECT   35   30   34   34   56                                       
CONECT   36   28   28                                                 
CONECT   37   31   31                                                 
CONECT   38    2                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43   11                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   32                                                      
CONECT   54   33                                                      
CONECT   55   34                                                      
CONECT   56   35                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
