COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.271   1.822  -0.281  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.429   1.087  -0.081  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.359  -0.277   0.155  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.134  -0.910   0.192  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.965  -0.175  -0.010  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.041   1.199  -0.241  1.00  0.00           C  
HETATM    7  C   UNL     1       0.562  -2.336   0.467  1.00  0.00           C  
HETATM    8  C   UNL     1       0.584  -1.389  -0.559  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.546  -0.639  -0.777  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.650  -0.849   0.028  1.00  0.00           C  
HETATM   11  S   UNL     1      -1.085  -2.138   1.125  1.00  0.00           S  
HETATM   12  F   UNL     1      -6.631   1.703  -0.116  1.00  0.00           F  
HETATM   13  C   UNL     1       1.583  -3.219   0.881  1.00  0.00           C  
HETATM   14  O   UNL     1       1.367  -4.064   1.912  1.00  0.00           O  
HETATM   15  O   UNL     1       2.658  -3.218   0.310  1.00  0.00           O  
HETATM   16  N   UNL     1       1.720  -1.214  -1.345  1.00  0.00           N  
HETATM   17  S   UNL     1       2.127   0.297  -1.886  1.00  0.00           S  
HETATM   18  C   UNL     1       1.339   2.019   0.080  1.00  0.00           C  
HETATM   19  C   UNL     1       2.392   1.311  -0.470  1.00  0.00           C  
HETATM   20  C   UNL     1       3.652   1.400   0.091  1.00  0.00           C  
HETATM   21  C   UNL     1       3.860   2.196   1.201  1.00  0.00           C  
HETATM   22  C   UNL     1       2.808   2.904   1.751  1.00  0.00           C  
HETATM   23  C   UNL     1       1.547   2.812   1.194  1.00  0.00           C  
HETATM   24  C   UNL     1       3.035   3.772   2.962  1.00  0.00           C  
HETATM   25  O   UNL     1       0.960   0.809  -2.515  1.00  0.00           O  
HETATM   26  O   UNL     1       3.399   0.157  -2.504  1.00  0.00           O  
HETATM   27  H   UNL     1      -4.332   2.884  -0.465  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.264  -0.844   0.311  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.081  -1.973   0.375  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.139   1.773  -0.397  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.571   0.101  -1.563  1.00  0.00           H  
HETATM   32  H   UNL     1       2.181  -4.572   2.031  1.00  0.00           H  
HETATM   33  H   UNL     1       2.274  -1.977  -1.574  1.00  0.00           H  
HETATM   34  H   UNL     1       0.355   1.950  -0.358  1.00  0.00           H  
HETATM   35  H   UNL     1       4.475   0.847  -0.339  1.00  0.00           H  
HETATM   36  H   UNL     1       4.845   2.265   1.639  1.00  0.00           H  
HETATM   37  H   UNL     1       0.724   3.364   1.623  1.00  0.00           H  
HETATM   38  H   UNL     1       3.306   4.778   2.642  1.00  0.00           H  
HETATM   39  H   UNL     1       2.122   3.814   3.556  1.00  0.00           H  
HETATM   40  H   UNL     1       3.841   3.352   3.564  1.00  0.00           H  
CONECT    1    2    6    6   27                                       
CONECT    2    1    3    3   12                                       
CONECT    3    2    2    4   28                                       
CONECT    4    3    5    5   29                                       
CONECT    5    4    4    6   10                                       
CONECT    6    1    1    5   30                                       
CONECT    7    8    8   11   13                                       
CONECT    8    7    7    9   16                                       
CONECT    9    8   10   10   31                                       
CONECT   10    5    9    9   11                                       
CONECT   11    7   10                                                 
CONECT   12    2                                                      
CONECT   13    7   14   15   15                                       
CONECT   14   13   32                                                 
CONECT   15   13   13                                                 
CONECT   16    8   17   33                                            
CONECT   17   16   19   25   25                                       
CONECT   17   26   26                                                 
CONECT   18   19   23   23   34                                       
CONECT   19   17   18   20   20                                       
CONECT   20   19   19   21   35                                       
CONECT   21   20   22   22   36                                       
CONECT   22   21   21   23   24                                       
CONECT   23   18   18   22   37                                       
CONECT   24   22   38   39   40                                       
CONECT   25   17   17                                                 
CONECT   26   17   17                                                 
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    9                                                      
CONECT   32   14                                                      
CONECT   33   16                                                      
CONECT   34   18                                                      
CONECT   35   20                                                      
CONECT   36   21                                                      
CONECT   37   23                                                      
CONECT   38   24                                                      
CONECT   39   24                                                      
CONECT   40   24                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
