COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.501  -1.002   4.162  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.862  -1.356   3.552  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.574   0.675   2.135  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.384   1.021   2.841  1.00  0.00           O  
HETATM    5  C   UNL     1       0.305  -0.188   3.148  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.533  -0.066   3.068  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.681  -1.986   4.539  1.00  0.00           O  
HETATM    8  N   UNL     1       0.223  -2.232   4.491  1.00  0.00           N  
HETATM    9  C   UNL     1       1.678   0.143   3.736  1.00  0.00           C  
HETATM   10  C   UNL     1       1.499   0.954   5.022  1.00  0.00           C  
HETATM   11  C   UNL     1       2.863   1.175   5.679  1.00  0.00           C  
HETATM   12  O   UNL     1       2.696   1.932   6.880  1.00  0.00           O  
HETATM   13  O   UNL     1       0.911   2.218   4.709  1.00  0.00           O  
HETATM   14  O   UNL     1       2.375  -1.068   4.031  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.238   1.929   1.627  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.378   1.847   0.923  1.00  0.00           O  
HETATM   17  O   UNL     1      -1.744   3.009   1.854  1.00  0.00           O  
HETATM   18  O   UNL     1      -1.242  -0.165   1.028  1.00  0.00           O  
HETATM   19  O   UNL     1       0.883   1.189   0.898  1.00  0.00           O  
HETATM   20  N   UNL     1       0.152  -0.817  -6.180  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.714   0.211  -6.188  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.710   0.264  -7.071  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.880  -0.705  -7.959  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.992  -1.801  -7.973  1.00  0.00           C  
HETATM   25  C   UNL     1       0.018  -1.837  -7.073  1.00  0.00           C  
HETATM   26  C   UNL     1       2.719   0.529  -3.879  1.00  0.00           C  
HETATM   27  C   UNL     1       2.100   0.442  -5.299  1.00  0.00           C  
HETATM   28  C   UNL     1       1.241  -0.844  -5.201  1.00  0.00           C  
HETATM   29  O   UNL     1       0.718  -0.798  -3.856  1.00  0.00           O  
HETATM   30  C   UNL     1       1.779  -0.327  -3.008  1.00  0.00           C  
HETATM   31  P   UNL     1      -0.243   0.675   0.087  1.00  0.00           P  
HETATM   32  O   UNL     1       0.325  -0.277  -1.078  1.00  0.00           O  
HETATM   33  C   UNL     1       1.201   0.523  -1.875  1.00  0.00           C  
HETATM   34  O   UNL     1       4.042  -0.009  -3.877  1.00  0.00           O  
HETATM   35  O   UNL     1       3.118   0.301  -6.290  1.00  0.00           O  
HETATM   36  N   UNL     1      -2.915  -0.643  -8.863  1.00  0.00           N  
HETATM   37  O   UNL     1      -0.579   1.116  -5.381  1.00  0.00           O  
HETATM   38  O   UNL     1      -1.038   1.911  -0.569  1.00  0.00           O  
HETATM   39  C   UNL     1       0.081  -2.792   5.709  1.00  0.00           C  
HETATM   40  O   UNL     1      -0.646  -2.278   6.532  1.00  0.00           O  
HETATM   41  C   UNL     1       0.826  -4.057   6.048  1.00  0.00           C  
HETATM   42  F   UNL     1      -2.839   0.743   4.168  1.00  0.00           F  
HETATM   43  H   UNL     1      -0.649  -0.412   5.067  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.720  -2.032   2.709  1.00  0.00           H  
HETATM   45  H   UNL     1       0.433  -0.773   2.237  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.449  -0.311   2.530  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.524  -2.191   4.113  1.00  0.00           H  
HETATM   48  H   UNL     1       0.805  -2.643   3.833  1.00  0.00           H  
HETATM   49  H   UNL     1       2.251   0.726   3.016  1.00  0.00           H  
HETATM   50  H   UNL     1       0.849   0.410   5.707  1.00  0.00           H  
HETATM   51  H   UNL     1       3.513   1.718   4.994  1.00  0.00           H  
HETATM   52  H   UNL     1       3.311   0.210   5.918  1.00  0.00           H  
HETATM   53  H   UNL     1       3.576   2.048   7.262  1.00  0.00           H  
HETATM   54  H   UNL     1       1.516   2.666   4.102  1.00  0.00           H  
HETATM   55  H   UNL     1       1.962  -1.444   4.820  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.804   2.652   0.598  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.117  -2.599  -8.690  1.00  0.00           H  
HETATM   58  H   UNL     1       0.711  -2.665  -7.064  1.00  0.00           H  
HETATM   59  H   UNL     1       2.728   1.561  -3.529  1.00  0.00           H  
HETATM   60  H   UNL     1       1.475   1.311  -5.506  1.00  0.00           H  
HETATM   61  H   UNL     1       1.860  -1.730  -5.341  1.00  0.00           H  
HETATM   62  H   UNL     1       2.326  -1.173  -2.594  1.00  0.00           H  
HETATM   63  H   UNL     1       0.645   1.360  -2.297  1.00  0.00           H  
HETATM   64  H   UNL     1       2.013   0.901  -1.255  1.00  0.00           H  
HETATM   65  H   UNL     1       4.565   0.531  -4.484  1.00  0.00           H  
HETATM   66  H   UNL     1       3.614   1.131  -6.302  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.524   0.111  -8.851  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.037  -1.354  -9.511  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.762   1.534  -1.088  1.00  0.00           H  
HETATM   70  H   UNL     1       0.587  -4.358   7.068  1.00  0.00           H  
HETATM   71  H   UNL     1       0.532  -4.848   5.358  1.00  0.00           H  
HETATM   72  H   UNL     1       1.899  -3.881   5.962  1.00  0.00           H  
CONECT    1    2    5    8   43                                       
CONECT    2    1    6    7   44                                       
CONECT    3    4    6   15   18                                       
CONECT    4    3    5                                                 
CONECT    5    1    4    9   45                                       
CONECT    6    2    3   42   46                                       
CONECT    7    2   47                                                 
CONECT    8    1   39   48                                            
CONECT    9    5   10   14   49                                       
CONECT   10    9   11   13   50                                       
CONECT   11   10   12   51   52                                       
CONECT   12   11   53                                                 
CONECT   13   10   54                                                 
CONECT   14    9   55                                                 
CONECT   15    3   16   17   17                                       
CONECT   16   15   56                                                 
CONECT   17   15   15                                                 
CONECT   18    3   31                                                 
CONECT   19   31   31                                                 
CONECT   20   21   25   28                                            
CONECT   21   20   22   37   37                                       
CONECT   22   21   23   23                                            
CONECT   23   22   22   24   36                                       
CONECT   24   23   25   25   57                                       
CONECT   25   20   24   24   58                                       
CONECT   26   27   30   34   59                                       
CONECT   27   26   28   35   60                                       
CONECT   28   20   27   29   61                                       
CONECT   29   28   30                                                 
CONECT   30   26   29   33   62                                       
CONECT   31   18   19   19   32                                       
CONECT   31   38                                                      
CONECT   32   31   33                                                 
CONECT   33   30   32   63   64                                       
CONECT   34   26   65                                                 
CONECT   35   27   66                                                 
CONECT   36   23   67   68                                            
CONECT   37   21   21                                                 
CONECT   38   31   69                                                 
CONECT   39    8   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   70   71   72                                       
CONECT   42    6                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   16                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   30                                                      
CONECT   63   33                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   38                                                      
CONECT   70   41                                                      
CONECT   71   41                                                      
CONECT   72   41                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
