COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.941  -1.858  -3.164  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.250  -2.985  -2.839  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.240  -1.367  -4.557  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.334  -1.044  -2.279  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.048  -1.519  -0.923  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.141  -2.721  -0.993  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.058  -3.359  -2.021  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.357  -1.907  -0.232  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.213  -0.680  -0.052  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.096   0.082   1.095  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.111  -0.313  -1.037  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.882   1.208   1.261  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.897   0.812  -0.872  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.783   1.571   0.278  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.640   2.798   0.458  1.00  0.00           C  
HETATM   16  F   UNL     1      -5.964   3.725   1.259  1.00  0.00           F  
HETATM   17  F   UNL     1      -6.907   3.368  -0.791  1.00  0.00           F  
HETATM   18  P   UNL     1      -8.208   2.332   1.261  1.00  0.00           P  
HETATM   19  O   UNL     1      -9.086   3.520   1.357  1.00  0.00           O  
HETATM   20  O   UNL     1      -8.940   1.193   0.389  1.00  0.00           O  
HETATM   21  O   UNL     1      -7.908   1.766   2.738  1.00  0.00           O  
HETATM   22  N   UNL     1      -0.424  -3.087   0.088  1.00  0.00           N  
HETATM   23  N   UNL     1       4.419  -1.631   1.386  1.00  0.00           N  
HETATM   24  C   UNL     1       0.458  -4.255   0.020  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.338  -5.502   0.306  1.00  0.00           C  
HETATM   26  C   UNL     1       1.574  -4.113   1.057  1.00  0.00           C  
HETATM   27  C   UNL     1       2.457  -2.917   0.695  1.00  0.00           C  
HETATM   28  C   UNL     1       3.573  -2.775   1.732  1.00  0.00           C  
HETATM   29  C   UNL     1       5.473  -1.311   2.164  1.00  0.00           C  
HETATM   30  C   UNL     1       6.327  -0.156   1.814  1.00  0.00           C  
HETATM   31  C   UNL     1       7.419   0.177   2.617  1.00  0.00           C  
HETATM   32  C   UNL     1       8.212   1.256   2.285  1.00  0.00           C  
HETATM   33  C   UNL     1       7.927   2.007   1.159  1.00  0.00           C  
HETATM   34  C   UNL     1       6.846   1.683   0.358  1.00  0.00           C  
HETATM   35  C   UNL     1       6.048   0.602   0.676  1.00  0.00           C  
HETATM   36  O   UNL     1      -1.525  -5.423   0.543  1.00  0.00           O  
HETATM   37  O   UNL     1       5.721  -1.974   3.152  1.00  0.00           O  
HETATM   38  I   UNL     1       6.424   2.829  -1.344  1.00  0.00           I  
HETATM   39  N   UNL     1       0.269  -6.705   0.298  1.00  0.00           N  
HETATM   40  H   UNL     1      -3.733  -2.158  -5.123  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.895  -0.497  -4.503  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.310  -1.092  -5.054  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.087  -0.143  -2.539  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.559  -0.727  -0.356  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.889  -2.635  -0.844  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.138  -2.343   0.743  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.392  -0.202   1.863  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.199  -0.906  -1.935  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.791   1.803   2.157  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.598   1.099  -1.641  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.783   0.896   0.758  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.302   1.013   2.755  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.490  -2.577   0.910  1.00  0.00           H  
HETATM   54  H   UNL     1       4.221  -1.102   0.597  1.00  0.00           H  
HETATM   55  H   UNL     1       0.895  -4.323  -0.976  1.00  0.00           H  
HETATM   56  H   UNL     1       1.136  -3.955   2.043  1.00  0.00           H  
HETATM   57  H   UNL     1       2.177  -5.020   1.069  1.00  0.00           H  
HETATM   58  H   UNL     1       2.895  -3.075  -0.290  1.00  0.00           H  
HETATM   59  H   UNL     1       1.854  -2.010   0.684  1.00  0.00           H  
HETATM   60  H   UNL     1       4.176  -3.683   1.744  1.00  0.00           H  
HETATM   61  H   UNL     1       3.135  -2.618   2.718  1.00  0.00           H  
HETATM   62  H   UNL     1       7.642  -0.409   3.496  1.00  0.00           H  
HETATM   63  H   UNL     1       9.057   1.515   2.906  1.00  0.00           H  
HETATM   64  H   UNL     1       8.548   2.854   0.907  1.00  0.00           H  
HETATM   65  H   UNL     1       5.205   0.349   0.050  1.00  0.00           H  
HETATM   66  H   UNL     1       1.218  -6.769   0.109  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.243  -7.508   0.482  1.00  0.00           H  
CONECT    1    4    3    2    2                                       
CONECT    2    1    1                                                 
CONECT    3    1   40   41   42                                       
CONECT    4    1    5   43                                            
CONECT    5    4    6    8   44                                       
CONECT    6   22    5    7    7                                       
CONECT    7    6    6                                                 
CONECT    8    5    9   45   46                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9   12   47                                       
CONECT   11    9   13   13   48                                       
CONECT   12   10   14   14   49                                       
CONECT   13   11   11   14   50                                       
CONECT   14   12   12   13   15                                       
CONECT   15   14   18   17   16                                       
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   19   19   15   20                                       
CONECT   18   21                                                      
CONECT   19   18   18                                                 
CONECT   20   18   51                                                 
CONECT   21   18   52                                                 
CONECT   22   24    6   53                                            
CONECT   23   29   28   54                                            
CONECT   24   26   25   22   55                                       
CONECT   25   39   24   36   36                                       
CONECT   26   27   24   56   57                                       
CONECT   27   28   26   58   59                                       
CONECT   28   23   27   60   61                                       
CONECT   29   30   37   37   23                                       
CONECT   30   35   35   31   29                                       
CONECT   31   32   32   30   62                                       
CONECT   32   33   31   31   63                                       
CONECT   33   34   34   32   64                                       
CONECT   34   38   33   33   35                                       
CONECT   35   34   30   30   65                                       
CONECT   36   25   25                                                 
CONECT   37   29   29                                                 
CONECT   38   34                                                      
CONECT   39   25   66   67                                            
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   35                                                      
CONECT   66   39                                                      
CONECT   67   39                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
