COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.279   3.217   0.052  1.00  0.00           C  
HETATM    2  C   UNL     1       7.282   2.075  -0.155  1.00  0.00           C  
HETATM    3  O   UNL     1       5.549   2.835   1.726  1.00  0.00           O  
HETATM    4  O   UNL     1       5.142   3.609  -0.589  1.00  0.00           O  
HETATM    5  C   UNL     1       3.982   1.059  -1.195  1.00  0.00           C  
HETATM    6  C   UNL     1       3.175  -0.040  -1.420  1.00  0.00           C  
HETATM    7  C   UNL     1       2.972  -0.967  -0.415  1.00  0.00           C  
HETATM    8  C   UNL     1       3.577  -0.795   0.816  1.00  0.00           C  
HETATM    9  C   UNL     1       4.385   0.304   1.042  1.00  0.00           C  
HETATM   10  C   UNL     1       2.091  -2.165  -0.660  1.00  0.00           C  
HETATM   11  C   UNL     1       3.691  -3.990  -0.878  1.00  0.00           C  
HETATM   12  C   UNL     1       4.285  -5.289  -0.398  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.404  -1.018   0.137  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.416  -0.271  -0.320  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.537  -0.238   0.508  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.824   2.618  -0.403  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.000  -0.108   0.114  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.847  -2.321  -0.740  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.740   4.023  -0.665  1.00  0.00           C  
HETATM   20  S   UNL     1       5.622   2.628   0.322  1.00  0.00           S  
HETATM   21  C   UNL     1       4.592   1.228   0.034  1.00  0.00           C  
HETATM   22  N   UNL     1       2.747  -3.368  -0.143  1.00  0.00           N  
HETATM   23  O   UNL     1       4.062  -3.503  -1.925  1.00  0.00           O  
HETATM   24  C   UNL     1       0.772  -1.971   0.042  1.00  0.00           C  
HETATM   25  O   UNL     1       0.568  -2.510   1.109  1.00  0.00           O  
HETATM   26  N   UNL     1      -0.181  -1.198  -0.515  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.420  -0.963   1.635  1.00  0.00           C  
HETATM   28  S   UNL     1      -1.840  -1.733   1.682  1.00  0.00           S  
HETATM   29  C   UNL     1      -4.759   0.535   0.174  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.672   1.898  -0.079  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.059   1.967  -0.467  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.142   0.613  -0.209  1.00  0.00           C  
HETATM   33  F   UNL     1      -8.338  -0.012  -0.272  1.00  0.00           F  
HETATM   34  O   UNL     1      -6.086  -1.441   0.361  1.00  0.00           O  
HETATM   35  N   UNL     1      -5.674   5.138  -0.872  1.00  0.00           N  
HETATM   36  H   UNL     1       7.989   4.069  -0.564  1.00  0.00           H  
HETATM   37  H   UNL     1       8.282   3.512   1.101  1.00  0.00           H  
HETATM   38  H   UNL     1       9.277   2.885  -0.235  1.00  0.00           H  
HETATM   39  H   UNL     1       7.280   1.781  -1.204  1.00  0.00           H  
HETATM   40  H   UNL     1       7.572   1.224   0.461  1.00  0.00           H  
HETATM   41  H   UNL     1       4.141   1.783  -1.980  1.00  0.00           H  
HETATM   42  H   UNL     1       2.702  -0.175  -2.382  1.00  0.00           H  
HETATM   43  H   UNL     1       3.418  -1.518   1.602  1.00  0.00           H  
HETATM   44  H   UNL     1       4.861   0.436   2.002  1.00  0.00           H  
HETATM   45  H   UNL     1       1.919  -2.276  -1.731  1.00  0.00           H  
HETATM   46  H   UNL     1       3.832  -5.566   0.553  1.00  0.00           H  
HETATM   47  H   UNL     1       4.093  -6.070  -1.134  1.00  0.00           H  
HETATM   48  H   UNL     1       5.360  -5.170  -0.267  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.368   0.265  -1.257  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.034  -3.349  -0.430  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.513  -2.063  -1.563  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.812  -2.222  -1.066  1.00  0.00           H  
HETATM   53  H   UNL     1       2.503  -3.717   0.728  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.018  -0.766  -1.368  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.181  -1.058   2.395  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.717   2.400  -0.025  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.949   2.524  -0.717  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    1   20   39   40                                       
CONECT    3   20   20                                                 
CONECT    4   20   20                                                 
CONECT    5   21    6    6   41                                       
CONECT    6    5    5    7   42                                       
CONECT    7    8    8    6   10                                       
CONECT    8    9    7    7   43                                       
CONECT    9   21   21    8   44                                       
CONECT   10    7   24   22   45                                       
CONECT   11   22   23   23   12                                       
CONECT   12   11   46   47   48                                       
CONECT   13   14   14   28   26                                       
CONECT   14   15   13   13   49                                       
CONECT   15   29   14   27   27                                       
CONECT   16   19   31   31   30                                       
CONECT   17   32   32   29   34                                       
CONECT   18   34   50   51   52                                       
CONECT   19   35   35   35   16                                       
CONECT   20    3    3    2    4                                       
CONECT   20    4   21                                                 
CONECT   21   20    9    9    5                                       
CONECT   22   10   11   53                                            
CONECT   23   11   11                                                 
CONECT   24   26   10   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   13   24   54                                            
CONECT   27   15   15   28   55                                       
CONECT   28   27   13                                                 
CONECT   29   30   30   17   15                                       
CONECT   30   16   29   29   56                                       
CONECT   31   16   16   32   57                                       
CONECT   32   31   33   17   17                                       
CONECT   33   32                                                      
CONECT   34   17   18                                                 
CONECT   35   19   19   19                                            
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   14                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   22                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
