COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.636   7.080  -0.235  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.083   5.657  -0.136  1.00  0.00           C  
HETATM    3  O   UNL     1      -5.156   4.610   1.177  1.00  0.00           O  
HETATM    4  O   UNL     1      -5.157   4.439  -1.291  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.375   2.365   1.293  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.764   1.128   1.378  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.458   0.427   0.227  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.764   0.962  -1.010  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.375   2.199  -1.096  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.791  -0.921   0.321  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.606  -2.453  -0.227  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.227  -3.500  -1.115  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.632  -5.546   0.955  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.835  -4.925   0.675  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.870  -3.844  -0.185  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.703  -3.382  -0.764  1.00  0.00           C  
HETATM   17  N   UNL     1       0.553  -0.324   0.836  1.00  0.00           N  
HETATM   18  C   UNL     1       2.870  -0.528   1.490  1.00  0.00           C  
HETATM   19  C   UNL     1       3.655   0.041  -1.104  1.00  0.00           C  
HETATM   20  C   UNL     1       2.312   0.001  -0.787  1.00  0.00           C  
HETATM   21  C   UNL     1       6.070  -0.153  -0.475  1.00  0.00           C  
HETATM   22  C   UNL     1       6.781   0.850   0.435  1.00  0.00           C  
HETATM   23  S   UNL     1      -4.459   4.478  -0.054  1.00  0.00           S  
HETATM   24  C   UNL     1      -3.681   2.901   0.056  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.453  -1.858  -0.591  1.00  0.00           N  
HETATM   26  O   UNL     1      -4.143  -2.145   0.816  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.500  -4.003  -0.483  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.464  -5.081   0.381  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.339  -0.791  -0.060  1.00  0.00           C  
HETATM   30  O   UNL     1       0.027  -1.105  -1.173  1.00  0.00           O  
HETATM   31  C   UNL     1       1.914  -0.283   0.512  1.00  0.00           C  
HETATM   32  C   UNL     1       4.212  -0.482   1.168  1.00  0.00           C  
HETATM   33  C   UNL     1       4.605  -0.197  -0.127  1.00  0.00           C  
HETATM   34  O   UNL     1       6.224   0.248  -1.838  1.00  0.00           O  
HETATM   35  F   UNL     1       8.141   0.891   0.111  1.00  0.00           F  
HETATM   36  F   UNL     1       6.221   2.120   0.256  1.00  0.00           F  
HETATM   37  F   UNL     1       6.631   0.458   1.769  1.00  0.00           F  
HETATM   38  C   UNL     1       6.683  -1.542  -0.280  1.00  0.00           C  
HETATM   39  F   UNL     1       8.062  -1.479  -0.508  1.00  0.00           F  
HETATM   40  F   UNL     1       6.446  -1.976   1.028  1.00  0.00           F  
HETATM   41  F   UNL     1       6.101  -2.439  -1.183  1.00  0.00           F  
HETATM   42  H   UNL     1      -2.809   7.788  -0.285  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.247   7.171  -1.133  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.246   7.294   0.642  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.473   5.442  -1.014  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.472   5.566   0.762  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.617   2.911   2.192  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.524   0.710   2.345  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.526   0.414  -1.910  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.614   2.617  -2.062  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.867  -1.294   1.342  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.452  -3.064  -2.088  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.531  -4.329  -1.240  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.604  -6.391   1.627  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.747  -5.286   1.127  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.810  -3.359  -0.405  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.731  -2.540  -1.439  1.00  0.00           H  
HETATM   58  H   UNL     1       0.252  -0.017   1.706  1.00  0.00           H  
HETATM   59  H   UNL     1       2.563  -0.750   2.501  1.00  0.00           H  
HETATM   60  H   UNL     1       3.965   0.257  -2.116  1.00  0.00           H  
HETATM   61  H   UNL     1       1.571   0.188  -1.551  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.061  -2.050  -1.457  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.523  -5.563   0.604  1.00  0.00           H  
HETATM   64  H   UNL     1       4.956  -0.668   1.929  1.00  0.00           H  
HETATM   65  H   UNL     1       5.797  -0.344  -2.473  1.00  0.00           H  
CONECT    1    2   42   43   44                                       
CONECT    2    1   23   45   46                                       
CONECT    3   23   23                                                 
CONECT    4   23   23                                                 
CONECT    5   24   24    6   47                                       
CONECT    6    5    7    7   48                                       
CONECT    7    6    6    8   10                                       
CONECT    8    9    9    7   49                                       
CONECT    9   24    8    8   50                                       
CONECT   10    7   29   25   51                                       
CONECT   11   25   26   26   12                                       
CONECT   12   11   27   52   53                                       
CONECT   13   28   28   14   54                                       
CONECT   14   15   15   13   55                                       
CONECT   15   16   14   14   56                                       
CONECT   16   27   27   15   57                                       
CONECT   17   31   29   58                                            
CONECT   18   32   32   31   59                                       
CONECT   19   33   33   20   60                                       
CONECT   20   19   31   31   61                                       
CONECT   21   22   38   33   34                                       
CONECT   22   37   35   36   21                                       
CONECT   23    4    4    2    3                                       
CONECT   23    3   24                                                 
CONECT   24   23    5    5    9                                       
CONECT   25   10   11   62                                            
CONECT   26   11   11                                                 
CONECT   27   12   16   16   28                                       
CONECT   28   27   13   13   63                                       
CONECT   29   17   10   30   30                                       
CONECT   30   29   29                                                 
CONECT   31   20   20   18   17                                       
CONECT   32   33   18   18   64                                       
CONECT   33   21   19   19   32                                       
CONECT   34   21   65                                                 
CONECT   35   22                                                      
CONECT   36   22                                                      
CONECT   37   22                                                      
CONECT   38   40   39   21   41                                       
CONECT   39   38                                                      
CONECT   40   38                                                      
CONECT   41   38                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   25                                                      
CONECT   63   28                                                      
CONECT   64   32                                                      
CONECT   65   34                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
