COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.983  -1.432   0.137  1.00  0.00           C  
HETATM    2  N   UNL     1       3.975  -2.772   0.338  1.00  0.00           N  
HETATM    3  C   UNL     1       5.155  -3.159   0.726  1.00  0.00           C  
HETATM    4  N   UNL     1       5.996  -2.088   0.797  1.00  0.00           N  
HETATM    5  C   UNL     1       5.280  -0.978   0.428  1.00  0.00           C  
HETATM    6  N   UNL     1       5.553   0.318   0.307  1.00  0.00           N  
HETATM    7  C   UNL     1       4.624   1.166  -0.080  1.00  0.00           C  
HETATM    8  N   UNL     1       3.392   0.786  -0.365  1.00  0.00           N  
HETATM    9  C   UNL     1       3.025  -0.488  -0.269  1.00  0.00           C  
HETATM   10  N   UNL     1       1.731  -0.876  -0.570  1.00  0.00           N  
HETATM   11  C   UNL     1       0.748   0.121  -1.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.840   0.306  -2.517  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.636  -0.347  -0.634  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.948  -1.673  -0.696  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.253  -2.069  -0.344  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.641  -3.418  -0.385  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.911  -3.765  -0.038  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.834  -2.800   0.357  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.494  -1.482   0.408  1.00  0.00           C  
HETATM   20 CL   UNL     1      -5.663  -0.298   0.903  1.00  0.00          Cl  
HETATM   21  C   UNL     1      -3.190  -1.084   0.058  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.829   0.201   0.099  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.607   0.580  -0.223  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.255   2.019  -0.161  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.168   2.440   0.604  1.00  0.00           C  
HETATM   26  C   UNL     1       0.156   3.783   0.658  1.00  0.00           C  
HETATM   27  F   UNL     1       1.208   4.194   1.398  1.00  0.00           F  
HETATM   28  C   UNL     1      -0.598   4.708  -0.047  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.677   4.293  -0.806  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.005   2.954  -0.872  1.00  0.00           C  
HETATM   31  H   UNL     1       5.428  -4.178   0.957  1.00  0.00           H  
HETATM   32  H   UNL     1       4.879   2.211  -0.168  1.00  0.00           H  
HETATM   33  H   UNL     1       1.475  -1.809  -0.496  1.00  0.00           H  
HETATM   34  H   UNL     1       0.953   1.071  -0.506  1.00  0.00           H  
HETATM   35  H   UNL     1       0.634  -0.643  -3.011  1.00  0.00           H  
HETATM   36  H   UNL     1       0.108   1.048  -2.837  1.00  0.00           H  
HETATM   37  H   UNL     1       1.841   0.645  -2.782  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.213  -2.401  -1.006  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.935  -4.176  -0.690  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.207  -4.804  -0.070  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.836  -3.101   0.626  1.00  0.00           H  
HETATM   42  H   UNL     1       0.419   1.719   1.153  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.342   5.756  -0.002  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.261   5.018  -1.353  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.845   2.632  -1.469  1.00  0.00           H  
HETATM   46  H   UNL     1       6.930  -2.108   1.061  1.00  0.00           H  
CONECT    1    9    2    5    5                                       
CONECT    2    1    3    3                                            
CONECT    3    2    2    4   31                                       
CONECT    4    5    3   46                                            
CONECT    5    1    1    6    4                                       
CONECT    6    7    7    5                                            
CONECT    7    8    6    6   32                                       
CONECT    8    9    9    7                                            
CONECT    9   10    8    8    1                                       
CONECT   10   11    9   33                                            
CONECT   11   13   12   10   34                                       
CONECT   12   11   35   36   37                                       
CONECT   13   14   14   23   11                                       
CONECT   14   15   13   13   38                                       
CONECT   15   16   16   21   14                                       
CONECT   16   17   15   15   39                                       
CONECT   17   18   18   16   40                                       
CONECT   18   17   17   19   41                                       
CONECT   19   18   20   21   21                                       
CONECT   20   19                                                      
CONECT   21   19   19   15   22                                       
CONECT   22   21   23   23                                            
CONECT   23   22   22   13   24                                       
CONECT   24   23   30   30   25                                       
CONECT   25   24   26   26   42                                       
CONECT   26   25   25   28   27                                       
CONECT   27   26                                                      
CONECT   28   29   29   26   43                                       
CONECT   29   30   28   28   44                                       
CONECT   30   24   24   29   45                                       
CONECT   31    3                                                      
CONECT   32    7                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   14                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   25                                                      
CONECT   43   28                                                      
CONECT   44   29                                                      
CONECT   45   30                                                      
CONECT   46    4                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
