COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.481   0.597  -2.290  1.00  0.00           O  
HETATM    2  C   UNL     1       3.564   1.568  -1.564  1.00  0.00           C  
HETATM    3  O   UNL     1       3.800   2.786  -2.090  1.00  0.00           O  
HETATM    4  C   UNL     1       3.400   1.414  -0.108  1.00  0.00           C  
HETATM    5  C   UNL     1       3.494   2.527   0.732  1.00  0.00           C  
HETATM    6  C   UNL     1       3.339   2.376   2.092  1.00  0.00           C  
HETATM    7  C   UNL     1       3.091   1.125   2.635  1.00  0.00           C  
HETATM    8  C   UNL     1       2.995   0.016   1.819  1.00  0.00           C  
HETATM    9  C   UNL     1       3.142   0.149   0.444  1.00  0.00           C  
HETATM   10  N   UNL     1       3.041  -0.965  -0.379  1.00  0.00           N  
HETATM   11  S   UNL     1       1.964  -2.169  -0.014  1.00  0.00           S  
HETATM   12  O   UNL     1       1.999  -3.082  -1.102  1.00  0.00           O  
HETATM   13  O   UNL     1       2.230  -2.551   1.329  1.00  0.00           O  
HETATM   14  C   UNL     1       0.356  -1.450  -0.018  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.386  -1.422  -1.184  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.647  -0.858  -1.188  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.168  -0.322  -0.024  1.00  0.00           C  
HETATM   18  I   UNL     1      -4.081   0.533  -0.029  1.00  0.00           I  
HETATM   19  C   UNL     1      -1.426  -0.350   1.143  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.167  -0.919   1.147  1.00  0.00           C  
HETATM   21  H   UNL     1       3.897   2.837  -3.051  1.00  0.00           H  
HETATM   22  H   UNL     1       3.688   3.504   0.315  1.00  0.00           H  
HETATM   23  H   UNL     1       3.412   3.237   2.740  1.00  0.00           H  
HETATM   24  H   UNL     1       2.971   1.018   3.703  1.00  0.00           H  
HETATM   25  H   UNL     1       2.801  -0.955   2.250  1.00  0.00           H  
HETATM   26  H   UNL     1       3.600  -1.037  -1.168  1.00  0.00           H  
HETATM   27  H   UNL     1       0.021  -1.842  -2.093  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.227  -0.836  -2.099  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.832   0.069   2.051  1.00  0.00           H  
HETATM   30  H   UNL     1       0.411  -0.945   2.059  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   21                                                 
CONECT    4    2    5    5    9                                       
CONECT    5    4    4    6   22                                       
CONECT    6    5    7    7   23                                       
CONECT    7    6    6    8   24                                       
CONECT    8    7    9    9   25                                       
CONECT    9    4    8    8   10                                       
CONECT   10    9   11   26                                            
CONECT   11   10   12   12   13                                       
CONECT   11   13   14                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   11   15   15   20                                       
CONECT   15   14   14   16   27                                       
CONECT   16   15   17   17   28                                       
CONECT   17   16   16   18   19                                       
CONECT   18   17                                                      
CONECT   19   17   20   20   29                                       
CONECT   20   14   19   19   30                                       
CONECT   21    3                                                      
CONECT   22    5                                                      
CONECT   23    6                                                      
CONECT   24    7                                                      
CONECT   25    8                                                      
CONECT   26   10                                                      
CONECT   27   15                                                      
CONECT   28   16                                                      
CONECT   29   19                                                      
CONECT   30   20                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
