COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.447  -2.576  -0.891  1.00  0.00           C  
HETATM    2  C   UNL     1       1.947   0.186  -0.414  1.00  0.00           C  
HETATM    3  C   UNL     1       0.760  -0.592  -0.404  1.00  0.00           C  
HETATM    4  C   UNL     1       0.852  -1.979  -0.554  1.00  0.00           C  
HETATM    5  C   UNL     1       3.164  -1.857  -0.719  1.00  0.00           C  
HETATM    6  C   UNL     1       3.173  -0.477  -0.576  1.00  0.00           C  
HETATM    7  C   UNL     1       4.329  -3.438   1.406  1.00  0.00           C  
HETATM    8  C   UNL     1       4.879  -4.183   2.407  1.00  0.00           C  
HETATM    9  C   UNL     1       6.087  -4.850   2.221  1.00  0.00           C  
HETATM   10  C   UNL     1       6.753  -4.777   1.036  1.00  0.00           C  
HETATM   11  C   UNL     1       6.216  -4.018  -0.019  1.00  0.00           C  
HETATM   12  C   UNL     1       6.876  -3.922  -1.256  1.00  0.00           C  
HETATM   13  C   UNL     1       6.338  -3.176  -2.261  1.00  0.00           C  
HETATM   14  C   UNL     1       5.133  -2.503  -2.091  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.477   0.077  -0.241  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.424  -0.338   1.002  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.641  -1.266   1.071  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.729  -0.887  -0.160  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.476  -0.892   1.149  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.975  -0.746   0.881  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.739  -0.816   2.205  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.680  -1.266  -1.453  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.599  -0.870  -2.611  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.628  -1.906  -2.797  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.461  -0.339  -1.423  1.00  0.00           C  
HETATM   26  C   UNL     1       0.674   2.084  -0.120  1.00  0.00           C  
HETATM   27  C   UNL     1       1.862   4.135   0.001  1.00  0.00           C  
HETATM   28  C   UNL     1       1.601   5.633   0.176  1.00  0.00           C  
HETATM   29  C   UNL     1       2.803   7.383  -0.940  1.00  0.00           C  
HETATM   30  C   UNL     1       1.765   6.807  -1.935  1.00  0.00           C  
HETATM   31  C   UNL     1       0.726   6.174  -0.972  1.00  0.00           C  
HETATM   32  C   UNL     1       3.011   7.093   1.452  1.00  0.00           C  
HETATM   33  C   UNL     1       1.549   7.240   1.990  1.00  0.00           C  
HETATM   34  C   UNL     1       0.898   5.913   1.520  1.00  0.00           C  
HETATM   35  C   UNL     1       4.988  -3.340   0.171  1.00  0.00           C  
HETATM   36  F   UNL     1       4.335   0.213  -0.594  1.00  0.00           F  
HETATM   37  N   UNL     1       2.024  -2.551  -0.701  1.00  0.00           N  
HETATM   38  N   UNL     1      -1.663  -0.623  -0.222  1.00  0.00           N  
HETATM   39  N   UNL     1      -4.403  -1.130  -0.180  1.00  0.00           N  
HETATM   40  N   UNL     1      -6.422  -2.705  -2.941  1.00  0.00           N  
HETATM   41  N   UNL     1      -0.462   1.397  -0.105  1.00  0.00           N  
HETATM   42  N   UNL     1       2.869   6.393   0.157  1.00  0.00           N  
HETATM   43  N   UNL     1       1.854   1.512  -0.264  1.00  0.00           N  
HETATM   44  O   UNL     1      -6.231  -2.122   1.833  1.00  0.00           O  
HETATM   45  O   UNL     1      -6.320  -0.664  -1.195  1.00  0.00           O  
HETATM   46  O   UNL     1       0.620   3.429   0.023  1.00  0.00           O  
HETATM   47 CL   UNL     1       2.822  -2.614   1.659  1.00  0.00          Cl  
HETATM   48  O   UNL     1      -6.028   0.199   1.957  1.00  0.00           O  
HETATM   49  O   UNL     1      -8.410  -1.803   0.023  1.00  0.00           O  
HETATM   50  H   UNL     1      -0.045  -2.582  -0.548  1.00  0.00           H  
HETATM   51  H   UNL     1       4.371  -4.257   3.357  1.00  0.00           H  
HETATM   52  H   UNL     1       6.503  -5.433   3.029  1.00  0.00           H  
HETATM   53  H   UNL     1       7.689  -5.299   0.906  1.00  0.00           H  
HETATM   54  H   UNL     1       7.814  -4.436  -1.408  1.00  0.00           H  
HETATM   55  H   UNL     1       6.855  -3.109  -3.207  1.00  0.00           H  
HETATM   56  H   UNL     1       4.729  -1.919  -2.904  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.757   0.700   0.990  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.789  -0.506   1.872  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.309  -2.297   1.188  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.270  -0.983   1.915  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.167   0.213   0.401  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.407  -0.010   2.859  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.807  -0.713   2.014  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.547  -1.776   2.685  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.352  -2.298  -1.583  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.078   0.082  -2.385  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.011  -0.773  -3.524  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.853  -0.507  -2.312  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.794   0.699  -1.401  1.00  0.00           H  
HETATM   70  H   UNL     1       2.362   3.962  -0.952  1.00  0.00           H  
HETATM   71  H   UNL     1       2.496   3.780   0.813  1.00  0.00           H  
HETATM   72  H   UNL     1       3.776   7.481  -1.421  1.00  0.00           H  
HETATM   73  H   UNL     1       2.468   8.348  -0.559  1.00  0.00           H  
HETATM   74  H   UNL     1       1.313   7.600  -2.530  1.00  0.00           H  
HETATM   75  H   UNL     1       2.217   6.049  -2.575  1.00  0.00           H  
HETATM   76  H   UNL     1       0.190   5.363  -1.464  1.00  0.00           H  
HETATM   77  H   UNL     1       0.032   6.929  -0.604  1.00  0.00           H  
HETATM   78  H   UNL     1       3.483   8.065   1.309  1.00  0.00           H  
HETATM   79  H   UNL     1       3.592   6.488   2.148  1.00  0.00           H  
HETATM   80  H   UNL     1       1.540   7.340   3.075  1.00  0.00           H  
HETATM   81  H   UNL     1       1.043   8.082   1.518  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.174   6.041   1.374  1.00  0.00           H  
HETATM   83  H   UNL     1       1.098   5.113   2.233  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.438  -2.910   1.311  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.163   1.068   1.554  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.343  -2.683   0.418  1.00  0.00           H  
CONECT    1    5   14   14   35                                       
CONECT    2    3    3    6   43                                       
CONECT    3    2    2    4   15                                       
CONECT    4    3   37   37   50                                       
CONECT    5    1    6    6   37                                       
CONECT    6    2    5    5   36                                       
CONECT    7    8    8   35   47                                       
CONECT    8    7    7    9   51                                       
CONECT    9    8   10   10   52                                       
CONECT   10    9    9   11   53                                       
CONECT   11   10   12   35   35                                       
CONECT   12   11   13   13   54                                       
CONECT   13   12   12   14   55                                       
CONECT   14    1    1   13   56                                       
CONECT   15    3   38   41   41                                       
CONECT   16   17   38   57   58                                       
CONECT   17   16   39   59   60                                       
CONECT   18   19   39   45   45                                       
CONECT   19   18   20   44   48                                       
CONECT   20   19   21   49   61                                       
CONECT   21   20   62   63   64                                       
CONECT   22   23   25   39   65                                       
CONECT   23   22   24   66   67                                       
CONECT   24   23   40   40   40                                       
CONECT   25   22   38   68   69                                       
CONECT   26   41   43   43   46                                       
CONECT   27   28   46   70   71                                       
CONECT   28   27   31   34   42                                       
CONECT   29   30   42   72   73                                       
CONECT   30   29   31   74   75                                       
CONECT   31   28   30   76   77                                       
CONECT   32   42   78   79   33                                       
CONECT   33   34   80   81   32                                       
CONECT   34   28   33   82   83                                       
CONECT   35    1    7   11   11                                       
CONECT   36    6                                                      
CONECT   37    4    4    5                                            
CONECT   38   15   16   25                                            
CONECT   39   17   18   22                                            
CONECT   40   24   24   24                                            
CONECT   41   15   15   26                                            
CONECT   42   28   29   32                                            
CONECT   43    2   26   26                                            
CONECT   44   19   84                                                 
CONECT   45   18   18                                                 
CONECT   46   26   27                                                 
CONECT   47    7                                                      
CONECT   48   19   85                                                 
CONECT   49   20   86                                                 
CONECT   50    4                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   44                                                      
CONECT   85   48                                                      
CONECT   86   49                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
