COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.816  -4.853  -0.153  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.046  -3.964  -0.463  1.00  0.00           C  
HETATM    3  N   UNL     1       1.203  -3.766   0.022  1.00  0.00           N  
HETATM    4  O   UNL     1      -0.264  -2.987  -1.358  1.00  0.00           O  
HETATM    5  N   UNL     1       0.695  -2.255  -1.444  1.00  0.00           N  
HETATM    6  C   UNL     1       1.656  -2.632  -0.645  1.00  0.00           C  
HETATM    7  C   UNL     1       2.962  -1.988  -0.485  1.00  0.00           C  
HETATM    8  C   UNL     1       4.216  -2.717  -0.892  1.00  0.00           C  
HETATM    9  C   UNL     1       3.042  -0.733   0.030  1.00  0.00           C  
HETATM   10  C   UNL     1       4.345  -0.041   0.062  1.00  0.00           C  
HETATM   11  C   UNL     1       5.438  -0.563   0.748  1.00  0.00           C  
HETATM   12  C   UNL     1       6.637   0.122   0.724  1.00  0.00           C  
HETATM   13  C   UNL     1       6.744   1.313   0.022  1.00  0.00           C  
HETATM   14  F   UNL     1       7.924   1.971  -0.002  1.00  0.00           F  
HETATM   15  C   UNL     1       5.655   1.836  -0.656  1.00  0.00           C  
HETATM   16  C   UNL     1       4.443   1.160  -0.629  1.00  0.00           C  
HETATM   17  O   UNL     1       3.354   1.672  -1.235  1.00  0.00           O  
HETATM   18  C   UNL     1       2.310   2.234  -0.481  1.00  0.00           C  
HETATM   19  C   UNL     1       1.500   1.246   0.316  1.00  0.00           C  
HETATM   20  C   UNL     1       0.317   1.750   0.856  1.00  0.00           C  
HETATM   21  C   UNL     1       1.821  -0.078   0.545  1.00  0.00           C  
HETATM   22  C   UNL     1       0.965  -0.882   1.315  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.196  -0.367   1.844  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.521   0.958   1.609  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.792   1.536   2.177  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.914   1.348   1.190  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.273   2.207   0.210  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.613   3.530  -0.084  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.293   4.447  -1.103  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.999   3.719  -1.473  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.758   0.273   1.113  1.00  0.00           N  
HETATM   32  C   UNL     1      -3.853  -0.879   1.839  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.798  -1.798   1.549  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.699  -1.580   0.493  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.615  -0.435  -0.238  1.00  0.00           C  
HETATM   36 CL   UNL     1      -6.721  -0.147  -1.546  1.00  0.00          Cl  
HETATM   37  C   UNL     1      -4.622   0.515   0.078  1.00  0.00           C  
HETATM   38  N   UNL     1      -4.310   1.689  -0.452  1.00  0.00           N  
HETATM   39  H   UNL     1       1.675  -4.294   0.685  1.00  0.00           H  
HETATM   40  H   UNL     1       4.441  -2.499  -1.936  1.00  0.00           H  
HETATM   41  H   UNL     1       5.046  -2.389  -0.266  1.00  0.00           H  
HETATM   42  H   UNL     1       4.069  -3.790  -0.768  1.00  0.00           H  
HETATM   43  H   UNL     1       5.349  -1.492   1.293  1.00  0.00           H  
HETATM   44  H   UNL     1       7.492  -0.271   1.254  1.00  0.00           H  
HETATM   45  H   UNL     1       5.749   2.763  -1.201  1.00  0.00           H  
HETATM   46  H   UNL     1       2.740   2.961   0.208  1.00  0.00           H  
HETATM   47  H   UNL     1       1.639   2.763  -1.158  1.00  0.00           H  
HETATM   48  H   UNL     1       0.053   2.782   0.680  1.00  0.00           H  
HETATM   49  H   UNL     1       1.220  -1.916   1.494  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.849  -0.991   2.435  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.038   1.026   3.109  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.653   2.599   2.372  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.107   4.000   0.758  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.217   4.094  -1.560  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.234   5.522  -0.930  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.089   4.314  -1.544  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.072   2.887  -2.173  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.165  -1.058   2.652  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.861  -2.706   2.131  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.454  -2.317   0.263  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2    6   39                                            
CONECT    4    2    5                                                 
CONECT    5    4    6    6                                            
CONECT    6    3    5    5    7                                       
CONECT    7    6    9    9    8                                       
CONECT    8    7   40   41   42                                       
CONECT    9   21    7    7   10                                       
CONECT   10    9   16   16   11                                       
CONECT   11   10   12   12   43                                       
CONECT   12   11   11   13   44                                       
CONECT   13   15   15   12   14                                       
CONECT   14   13                                                      
CONECT   15   16   13   13   45                                       
CONECT   16   17   10   10   15                                       
CONECT   17   18   16                                                 
CONECT   18   19   17   46   47                                       
CONECT   19   20   18   21   21                                       
CONECT   20   24   24   19   48                                       
CONECT   21   19   19   22    9                                       
CONECT   22   23   23   21   49                                       
CONECT   23   24   22   22   50                                       
CONECT   24   25   20   20   23                                       
CONECT   25   26   24   51   52                                       
CONECT   26   27   27   25   31                                       
CONECT   27   28   38   26   26                                       
CONECT   28   29   30   27   53                                       
CONECT   29   28   30   54   55                                       
CONECT   30   29   28   56   57                                       
CONECT   31   26   37   32                                            
CONECT   32   31   33   33   58                                       
CONECT   33   32   32   34   59                                       
CONECT   34   35   35   33   60                                       
CONECT   35   37   36   34   34                                       
CONECT   36   35                                                      
CONECT   37   38   38   31   35                                       
CONECT   38   27   37   37                                            
CONECT   39    3                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   15                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   20                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
CONECT   60   34                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
