COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.484  -0.006  -3.053  1.00  0.00           C  
HETATM    2  C   UNL     1       0.579   1.363  -3.213  1.00  0.00           C  
HETATM    3  C   UNL     1       1.689   1.916  -3.833  1.00  0.00           C  
HETATM    4  C   UNL     1       2.705   1.090  -4.300  1.00  0.00           C  
HETATM    5  C   UNL     1       2.609  -0.286  -4.132  1.00  0.00           C  
HETATM    6  C   UNL     1       1.495  -0.831  -3.510  1.00  0.00           C  
HETATM    7  O   UNL     1       1.781   3.264  -3.990  1.00  0.00           O  
HETATM    8  C   UNL     1       0.597   3.827  -3.422  1.00  0.00           C  
HETATM    9  O   UNL     1       3.796   1.629  -4.910  1.00  0.00           O  
HETATM   10  C   UNL     1       3.501   1.688  -6.307  1.00  0.00           C  
HETATM   11  O   UNL     1       3.603  -1.098  -4.582  1.00  0.00           O  
HETATM   12  C   UNL     1       3.214  -2.438  -4.272  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.724  -0.603  -2.378  1.00  0.00           C  
HETATM   14  F   UNL     1      -1.837   0.211  -2.610  1.00  0.00           F  
HETATM   15  F   UNL     1      -0.964  -1.880  -2.894  1.00  0.00           F  
HETATM   16  C   UNL     1      -0.473  -0.700  -0.895  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.825   0.199  -0.160  1.00  0.00           O  
HETATM   18  N   UNL     1       0.142  -1.785  -0.385  1.00  0.00           N  
HETATM   19  C   UNL     1       0.658  -2.838  -1.270  1.00  0.00           C  
HETATM   20  C   UNL     1       2.135  -3.077  -0.941  1.00  0.00           C  
HETATM   21  C   UNL     1       2.279  -3.385   0.551  1.00  0.00           C  
HETATM   22  C   UNL     1       1.790  -2.187   1.369  1.00  0.00           C  
HETATM   23  C   UNL     1       0.314  -1.935   1.067  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.138  -0.679   1.766  1.00  0.00           C  
HETATM   25  O   UNL     1       0.483   0.348   1.624  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.230  -0.700   2.546  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.665   0.510   3.220  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.998   0.597   4.595  1.00  0.00           C  
HETATM   29  C   UNL     1       0.522   0.627   4.423  1.00  0.00           C  
HETATM   30  C   UNL     1       1.189   0.713   5.797  1.00  0.00           C  
HETATM   31  C   UNL     1       2.687   0.743   5.628  1.00  0.00           C  
HETATM   32  C   UNL     1       3.413  -0.433   5.615  1.00  0.00           C  
HETATM   33  N   UNL     1       4.722  -0.415   5.462  1.00  0.00           N  
HETATM   34  C   UNL     1       5.389   0.714   5.327  1.00  0.00           C  
HETATM   35  C   UNL     1       4.731   1.929   5.335  1.00  0.00           C  
HETATM   36  C   UNL     1       3.354   1.950   5.489  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.185   0.480   3.392  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.852   0.394   2.018  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.372   0.364   2.189  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.028   0.278   0.836  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.299  -0.956   0.276  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.902  -1.034  -0.966  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.234   0.122  -1.647  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.964   1.357  -1.087  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.365   1.435   0.157  1.00  0.00           C  
HETATM   46  H   UNL     1      -0.213   2.004  -2.854  1.00  0.00           H  
HETATM   47  H   UNL     1       1.418  -1.901  -3.383  1.00  0.00           H  
HETATM   48  H   UNL     1       0.626   4.912  -3.524  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.277   3.436  -3.942  1.00  0.00           H  
HETATM   50  H   UNL     1       0.540   3.564  -2.366  1.00  0.00           H  
HETATM   51  H   UNL     1       4.351   2.115  -6.840  1.00  0.00           H  
HETATM   52  H   UNL     1       3.306   0.682  -6.680  1.00  0.00           H  
HETATM   53  H   UNL     1       2.621   2.312  -6.466  1.00  0.00           H  
HETATM   54  H   UNL     1       3.984  -3.128  -4.616  1.00  0.00           H  
HETATM   55  H   UNL     1       3.089  -2.540  -3.195  1.00  0.00           H  
HETATM   56  H   UNL     1       2.272  -2.667  -4.770  1.00  0.00           H  
HETATM   57  H   UNL     1       0.095  -3.757  -1.111  1.00  0.00           H  
HETATM   58  H   UNL     1       0.561  -2.522  -2.308  1.00  0.00           H  
HETATM   59  H   UNL     1       2.505  -3.921  -1.524  1.00  0.00           H  
HETATM   60  H   UNL     1       2.712  -2.185  -1.186  1.00  0.00           H  
HETATM   61  H   UNL     1       1.682  -4.262   0.800  1.00  0.00           H  
HETATM   62  H   UNL     1       3.325  -3.580   0.783  1.00  0.00           H  
HETATM   63  H   UNL     1       1.914  -2.398   2.432  1.00  0.00           H  
HETATM   64  H   UNL     1       2.369  -1.304   1.103  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.280  -2.780   1.414  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.383   1.379   2.625  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.324   1.505   5.100  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.279  -0.272   5.190  1.00  0.00           H  
HETATM   69  H   UNL     1       0.849  -0.282   3.917  1.00  0.00           H  
HETATM   70  H   UNL     1       0.804   1.495   3.827  1.00  0.00           H  
HETATM   71  H   UNL     1       0.863   1.622   6.303  1.00  0.00           H  
HETATM   72  H   UNL     1       0.908  -0.155   6.393  1.00  0.00           H  
HETATM   73  H   UNL     1       2.901  -1.378   5.723  1.00  0.00           H  
HETATM   74  H   UNL     1       6.463   0.689   5.207  1.00  0.00           H  
HETATM   75  H   UNL     1       5.283   2.851   5.224  1.00  0.00           H  
HETATM   76  H   UNL     1       2.813   2.885   5.499  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.466  -0.388   3.988  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.511   1.389   3.898  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.570   1.262   1.422  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.525  -0.515   1.512  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.653  -0.505   2.785  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.698   1.272   2.695  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.040  -1.859   0.808  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.113  -1.998  -1.404  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.704   0.061  -2.618  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.223   2.260  -1.619  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.154   2.399   0.595  1.00  0.00           H  
CONECT    1    2    2    6   13                                       
CONECT    2    1    1    3   46                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3    5    9                                       
CONECT    5    4    6    6   11                                       
CONECT    6    1    5    5   47                                       
CONECT    7    3    8                                                 
CONECT    8    7   48   49   50                                       
CONECT    9    4   10                                                 
CONECT   10    9   51   52   53                                       
CONECT   11    5   12                                                 
CONECT   12   11   54   55   56                                       
CONECT   13    1   14   15   16                                       
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   13   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   23                                            
CONECT   19   18   20   57   58                                       
CONECT   20   19   21   59   60                                       
CONECT   21   20   22   61   62                                       
CONECT   22   21   23   63   64                                       
CONECT   23   18   22   24   65                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27                                                 
CONECT   27   26   28   37   66                                       
CONECT   28   27   29   67   68                                       
CONECT   29   28   30   69   70                                       
CONECT   30   29   31   71   72                                       
CONECT   31   30   32   32   36                                       
CONECT   32   31   31   33   73                                       
CONECT   33   32   34   34                                            
CONECT   34   33   33   35   74                                       
CONECT   35   34   36   36   75                                       
CONECT   36   31   35   35   76                                       
CONECT   37   27   38   77   78                                       
CONECT   38   37   39   79   80                                       
CONECT   39   38   40   81   82                                       
CONECT   40   39   41   41   45                                       
CONECT   41   40   40   42   83                                       
CONECT   42   41   43   43   84                                       
CONECT   43   42   42   44   85                                       
CONECT   44   43   45   45   86                                       
CONECT   45   40   44   44   87                                       
CONECT   46    2                                                      
CONECT   47    6                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   32                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   39                                                      
CONECT   83   41                                                      
CONECT   84   42                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
CONECT   87   45                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
