COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.931   0.244   0.902  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.873   1.504   0.338  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.673   1.992  -0.144  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.530   1.218  -0.061  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.588  -0.043   0.503  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.787  -0.527   0.990  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.119   2.347   0.247  1.00  0.00           C  
HETATM    8  C   UNL     1       0.658  -0.886   0.592  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.590   2.406  -1.207  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.217   1.729   1.115  1.00  0.00           C  
HETATM   11  S   UNL     1       0.827  -1.918  -0.890  1.00  0.00           S  
HETATM   12  C   UNL     1      -0.591  -2.965  -0.861  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.561  -4.148  -0.147  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.673  -4.969  -0.123  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.816  -4.606  -0.814  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.844  -3.421  -1.529  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.734  -2.599  -1.547  1.00  0.00           C  
HETATM   18  O   UNL     1       0.661  -1.136  -2.064  1.00  0.00           O  
HETATM   19  O   UNL     1       1.924  -2.811  -0.753  1.00  0.00           O  
HETATM   20  F   UNL     1      -4.869   1.112  -1.660  1.00  0.00           F  
HETATM   21  F   UNL     1      -5.747   3.189  -1.291  1.00  0.00           F  
HETATM   22  F   UNL     1      -3.586   2.972  -2.000  1.00  0.00           F  
HETATM   23  C   UNL     1       1.902   0.011   0.766  1.00  0.00           C  
HETATM   24  N   UNL     1       2.778  -0.740   1.695  1.00  0.00           N  
HETATM   25  C   UNL     1       1.846  -1.322   2.688  1.00  0.00           C  
HETATM   26  C   UNL     1       0.621  -1.765   1.860  1.00  0.00           C  
HETATM   27  F   UNL     1      -3.840   3.641   0.700  1.00  0.00           F  
HETATM   28  F   UNL     1      -4.727   1.518   2.408  1.00  0.00           F  
HETATM   29  F   UNL     1      -6.313   2.597   1.168  1.00  0.00           F  
HETATM   30  F   UNL     1      -5.615   0.507   0.562  1.00  0.00           F  
HETATM   31  F   UNL     1      -3.903  -5.408  -0.792  1.00  0.00           F  
HETATM   32  C   UNL     1       4.119  -0.866   1.647  1.00  0.00           C  
HETATM   33  O   UNL     1       4.689  -1.588   2.438  1.00  0.00           O  
HETATM   34  C   UNL     1       4.911  -0.109   0.612  1.00  0.00           C  
HETATM   35  C   UNL     1       6.360  -0.599   0.620  1.00  0.00           C  
HETATM   36  C   UNL     1       7.164   0.170  -0.432  1.00  0.00           C  
HETATM   37  C   UNL     1       7.128   1.665  -0.109  1.00  0.00           C  
HETATM   38  C   UNL     1       5.679   2.154  -0.117  1.00  0.00           C  
HETATM   39  C   UNL     1       4.875   1.386   0.935  1.00  0.00           C  
HETATM   40  C   UNL     1       7.920   2.421  -1.144  1.00  0.00           C  
HETATM   41  O   UNL     1       8.028   3.757  -1.063  1.00  0.00           O  
HETATM   42  O   UNL     1       8.457   1.826  -2.048  1.00  0.00           O  
HETATM   43  H   UNL     1      -3.869  -0.137   1.278  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.627   2.976  -0.585  1.00  0.00           H  
HETATM   45  H   UNL     1       0.408   1.599  -0.438  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.832  -1.512   1.431  1.00  0.00           H  
HETATM   47  H   UNL     1       0.331  -4.431   0.392  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.649  -5.894   0.434  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.736  -3.136  -2.069  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.757  -1.671  -2.101  1.00  0.00           H  
HETATM   51  H   UNL     1       2.401   0.158  -0.192  1.00  0.00           H  
HETATM   52  H   UNL     1       1.621   0.971   1.199  1.00  0.00           H  
HETATM   53  H   UNL     1       2.302  -2.181   3.181  1.00  0.00           H  
HETATM   54  H   UNL     1       1.558  -0.572   3.424  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.299  -1.587   2.417  1.00  0.00           H  
HETATM   56  H   UNL     1       0.705  -2.819   1.593  1.00  0.00           H  
HETATM   57  H   UNL     1       4.476  -0.278  -0.373  1.00  0.00           H  
HETATM   58  H   UNL     1       6.795  -0.429   1.605  1.00  0.00           H  
HETATM   59  H   UNL     1       6.385  -1.664   0.390  1.00  0.00           H  
HETATM   60  H   UNL     1       8.196  -0.179  -0.426  1.00  0.00           H  
HETATM   61  H   UNL     1       6.729   0.000  -1.416  1.00  0.00           H  
HETATM   62  H   UNL     1       7.563   1.834   0.876  1.00  0.00           H  
HETATM   63  H   UNL     1       5.653   3.219   0.113  1.00  0.00           H  
HETATM   64  H   UNL     1       5.244   1.985  -1.102  1.00  0.00           H  
HETATM   65  H   UNL     1       3.842   1.735   0.929  1.00  0.00           H  
HETATM   66  H   UNL     1       5.310   1.555   1.920  1.00  0.00           H  
HETATM   67  H   UNL     1       8.545   4.198  -1.750  1.00  0.00           H  
CONECT    1    6    6    2   43                                       
CONECT    2    1    7    3    3                                       
CONECT    3    2    2    4   44                                       
CONECT    4    5    5    3   45                                       
CONECT    5    6    8    4    4                                       
CONECT    6    1    1    5   46                                       
CONECT    7    9    2   10   27                                       
CONECT    8   11   26    5   23                                       
CONECT    9   21   22   20    7                                       
CONECT   10   30    7   28   29                                       
CONECT   11   18   18   19   19                                       
CONECT   11   12    8                                                 
CONECT   12   11   17   17   13                                       
CONECT   13   12   14   14   47                                       
CONECT   14   13   13   15   48                                       
CONECT   15   16   16   14   31                                       
CONECT   16   17   15   15   49                                       
CONECT   17   12   12   16   50                                       
CONECT   18   11   11                                                 
CONECT   19   11   11                                                 
CONECT   20    9                                                      
CONECT   21    9                                                      
CONECT   22    9                                                      
CONECT   23    8   24   51   52                                       
CONECT   24   25   23   32                                            
CONECT   25   26   24   53   54                                       
CONECT   26    8   25   55   56                                       
CONECT   27    7                                                      
CONECT   28   10                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   15                                                      
CONECT   32   24   34   33   33                                       
CONECT   33   32   32                                                 
CONECT   34   39   32   35   57                                       
CONECT   35   34   36   58   59                                       
CONECT   36   37   35   60   61                                       
CONECT   37   38   40   36   62                                       
CONECT   38   39   37   63   64                                       
CONECT   39   38   34   65   66                                       
CONECT   40   42   42   41   37                                       
CONECT   41   40   67                                                 
CONECT   42   40   40                                                 
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    6                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   26                                                      
CONECT   57   34                                                      
CONECT   58   35                                                      
CONECT   59   35                                                      
CONECT   60   36                                                      
CONECT   61   36                                                      
CONECT   62   37                                                      
CONECT   63   38                                                      
CONECT   64   38                                                      
CONECT   65   39                                                      
CONECT   66   39                                                      
CONECT   67   41                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
