COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -0.976  -2.288   0.572  1.00  0.00           F  
HETATM    2  C   UNL     1      -1.169  -1.000   0.213  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.451  -0.523   0.011  1.00  0.00           C  
HETATM    4  S   UNL     1      -3.833  -1.597   0.222  1.00  0.00           S  
HETATM    5  O   UNL     1      -3.345  -2.919   0.042  1.00  0.00           O  
HETATM    6  N   UNL     1      -4.305  -1.483   1.805  1.00  0.00           N  
HETATM    7  O   UNL     1      -4.890  -1.047  -0.553  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.651   0.797  -0.357  1.00  0.00           C  
HETATM    9  F   UNL     1      -3.904   1.260  -0.554  1.00  0.00           F  
HETATM   10  C   UNL     1      -1.566   1.643  -0.523  1.00  0.00           C  
HETATM   11  F   UNL     1      -1.763   2.931  -0.881  1.00  0.00           F  
HETATM   12  C   UNL     1      -0.080  -0.151   0.053  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.281   1.170  -0.322  1.00  0.00           C  
HETATM   14  S   UNL     1       1.098   2.247  -0.533  1.00  0.00           S  
HETATM   15  O   UNL     1       2.173   1.378  -0.864  1.00  0.00           O  
HETATM   16  O   UNL     1       0.639   3.228  -1.452  1.00  0.00           O  
HETATM   17  C   UNL     1       1.355   2.980   1.106  1.00  0.00           C  
HETATM   18  C   UNL     1       2.540   3.946   1.053  1.00  0.00           C  
HETATM   19  O   UNL     1       2.743   4.524   2.344  1.00  0.00           O  
HETATM   20  N   UNL     1       1.219  -0.630   0.262  1.00  0.00           N  
HETATM   21  C   UNL     1       1.526  -1.737  -0.652  1.00  0.00           C  
HETATM   22  C   UNL     1       2.929  -2.225  -0.397  1.00  0.00           C  
HETATM   23  C   UNL     1       3.154  -3.230   0.525  1.00  0.00           C  
HETATM   24  C   UNL     1       4.440  -3.678   0.759  1.00  0.00           C  
HETATM   25  C   UNL     1       5.502  -3.121   0.071  1.00  0.00           C  
HETATM   26  C   UNL     1       5.277  -2.116  -0.851  1.00  0.00           C  
HETATM   27  C   UNL     1       3.990  -1.672  -1.090  1.00  0.00           C  
HETATM   28  H   UNL     1      -3.827  -0.896   2.412  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.058  -2.003   2.125  1.00  0.00           H  
HETATM   30  H   UNL     1       0.458   3.522   1.407  1.00  0.00           H  
HETATM   31  H   UNL     1       1.562   2.191   1.829  1.00  0.00           H  
HETATM   32  H   UNL     1       3.437   3.404   0.753  1.00  0.00           H  
HETATM   33  H   UNL     1       2.333   4.735   0.330  1.00  0.00           H  
HETATM   34  H   UNL     1       3.480   5.148   2.384  1.00  0.00           H  
HETATM   35  H   UNL     1       1.351  -0.907   1.224  1.00  0.00           H  
HETATM   36  H   UNL     1       0.822  -2.552  -0.486  1.00  0.00           H  
HETATM   37  H   UNL     1       1.444  -1.391  -1.683  1.00  0.00           H  
HETATM   38  H   UNL     1       2.324  -3.665   1.062  1.00  0.00           H  
HETATM   39  H   UNL     1       4.616  -4.463   1.479  1.00  0.00           H  
HETATM   40  H   UNL     1       6.507  -3.470   0.254  1.00  0.00           H  
HETATM   41  H   UNL     1       6.106  -1.680  -1.389  1.00  0.00           H  
HETATM   42  H   UNL     1       3.814  -0.887  -1.810  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3   12                                       
CONECT    3    4    2    2    8                                       
CONECT    4    5    5    6    3                                       
CONECT    4    7    7                                                 
CONECT    5    4    4                                                 
CONECT    6    4   28   29                                            
CONECT    7    4    4                                                 
CONECT    8    3    9   10   10                                       
CONECT    9    8                                                      
CONECT   10    8    8   13   11                                       
CONECT   11   10                                                      
CONECT   12    2   20   13   13                                       
CONECT   13   12   12   10   14                                       
CONECT   14   16   16   13   15                                       
CONECT   14   15   17                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   14   18   30   31                                       
CONECT   18   17   19   32   33                                       
CONECT   19   18   34                                                 
CONECT   20   21   12   35                                            
CONECT   21   22   20   36   37                                       
CONECT   22   27   21   23   23                                       
CONECT   23   22   22   24   38                                       
CONECT   24   25   25   23   39                                       
CONECT   25   26   24   24   40                                       
CONECT   26   27   27   25   41                                       
CONECT   27   26   26   22   42                                       
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30   17                                                      
CONECT   31   17                                                      
CONECT   32   18                                                      
CONECT   33   18                                                      
CONECT   34   19                                                      
CONECT   35   20                                                      
CONECT   36   21                                                      
CONECT   37   21                                                      
CONECT   38   23                                                      
CONECT   39   24                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
CONECT   42   27                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
