COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.175   3.622  -1.316  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.708   2.757  -0.311  1.00  0.00           O  
HETATM    3  C   UNL     1      -0.079   1.566  -0.126  1.00  0.00           C  
HETATM    4  C   UNL     1       1.027   1.238  -0.895  1.00  0.00           C  
HETATM    5  C   UNL     1       1.669   0.022  -0.706  1.00  0.00           C  
HETATM    6  N   UNL     1       2.785  -0.307  -1.482  1.00  0.00           N  
HETATM    7  S   UNL     1       4.139  -0.933  -0.763  1.00  0.00           S  
HETATM    8  O   UNL     1       3.663  -2.059  -0.040  1.00  0.00           O  
HETATM    9  O   UNL     1       5.064  -1.085  -1.831  1.00  0.00           O  
HETATM   10  C   UNL     1       4.690   0.369   0.374  1.00  0.00           C  
HETATM   11  F   UNL     1       3.729   0.550   1.375  1.00  0.00           F  
HETATM   12  F   UNL     1       5.905  -0.005   0.957  1.00  0.00           F  
HETATM   13  F   UNL     1       4.859   1.564  -0.332  1.00  0.00           F  
HETATM   14  C   UNL     1       1.206  -0.867   0.255  1.00  0.00           C  
HETATM   15  C   UNL     1       0.100  -0.541   1.025  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.354  -1.412   1.965  1.00  0.00           O  
HETATM   17  C   UNL     1       0.356  -2.644   2.105  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.541   0.678   0.839  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.623   1.001   1.599  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.851   0.646   1.143  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.984   0.956   1.888  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.232   0.597   1.430  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.360  -0.080   0.214  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.655  -0.455  -0.267  1.00  0.00           C  
HETATM   25  N   UNL     1      -7.684  -0.752  -0.648  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.218  -0.391  -0.533  1.00  0.00           C  
HETATM   27 CL   UNL     1      -4.369  -1.232  -2.044  1.00  0.00          Cl  
HETATM   28  C   UNL     1      -2.973  -0.023  -0.069  1.00  0.00           C  
HETATM   29  H   UNL     1       0.858   3.871  -1.071  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.208   3.120  -2.283  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.768   4.536  -1.360  1.00  0.00           H  
HETATM   32  H   UNL     1       1.388   1.929  -1.642  1.00  0.00           H  
HETATM   33  H   UNL     1       2.765  -0.169  -2.442  1.00  0.00           H  
HETATM   34  H   UNL     1       1.706  -1.812   0.401  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.108  -3.245   2.887  1.00  0.00           H  
HETATM   36  H   UNL     1       0.327  -3.190   1.162  1.00  0.00           H  
HETATM   37  H   UNL     1       1.393  -2.438   2.374  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.885   1.479   2.828  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.091  -0.257  -0.646  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.110   0.839   2.009  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    1    3                                                 
CONECT    3    2    4   18   18                                       
CONECT    4    3    5    5   32                                       
CONECT    5    4    4    6   14                                       
CONECT    6    5    7   33                                            
CONECT    7    6    8    8    9                                       
CONECT    7    9   10                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    7   11   12   13                                       
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13   10                                                      
CONECT   14    5   15   15   34                                       
CONECT   15   14   14   16   18                                       
CONECT   16   15   17                                                 
CONECT   17   16   35   36   37                                       
CONECT   18    3    3   15   19                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   28   28                                       
CONECT   21   20   22   22   38                                       
CONECT   22   21   21   23   40                                       
CONECT   23   22   24   26   26                                       
CONECT   24   23   25   25   25                                       
CONECT   25   24   24   24                                            
CONECT   26   23   23   27   28                                       
CONECT   27   26                                                      
CONECT   28   20   20   26   39                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34   14                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   21                                                      
CONECT   39   28                                                      
CONECT   40   22                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
