COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.029  -1.398  -0.621  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.892  -2.398  -0.182  1.00  0.00           O  
HETATM    3  C   UNL     1       1.356  -1.559   0.130  1.00  0.00           C  
HETATM    4  O   UNL     1       1.948  -2.814  -0.209  1.00  0.00           O  
HETATM    5  C   UNL     1       2.298  -0.421  -0.274  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.546  -0.014  -0.334  1.00  0.00           C  
HETATM    7  O   UNL     1       3.517  -0.525   0.465  1.00  0.00           O  
HETATM    8  C   UNL     1       1.629   0.922   0.030  1.00  0.00           C  
HETATM    9  C   UNL     1       2.546   2.062  -0.417  1.00  0.00           C  
HETATM   10  O   UNL     1       1.975   3.313  -0.029  1.00  0.00           O  
HETATM   11  O   UNL     1       0.387   1.004  -0.676  1.00  0.00           O  
HETATM   12  N   UNL     1      -4.374   0.650   0.222  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.090   0.432   0.192  1.00  0.00           C  
HETATM   14  S   UNL     1      -2.095   0.220  -1.261  1.00  0.00           S  
HETATM   15  N   UNL     1      -2.259   0.325   1.278  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.965   0.101   1.108  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.187  -0.003   2.032  1.00  0.00           O  
HETATM   18  H   UNL     1      -2.620   0.413   2.173  1.00  0.00           H  
HETATM   19  H   UNL     1      -4.875   0.710  -0.606  1.00  0.00           H  
HETATM   20  H   UNL     1       0.202  -1.506  -1.692  1.00  0.00           H  
HETATM   21  H   UNL     1       1.446   1.002   1.101  1.00  0.00           H  
HETATM   22  H   UNL     1       3.524   1.947   0.051  1.00  0.00           H  
HETATM   23  H   UNL     1       2.658   2.035  -1.501  1.00  0.00           H  
HETATM   24  H   UNL     1       2.512  -0.488  -1.341  1.00  0.00           H  
HETATM   25  H   UNL     1       2.505   4.082  -0.281  1.00  0.00           H  
HETATM   26  H   UNL     1       4.162   0.165   0.258  1.00  0.00           H  
HETATM   27  H   UNL     1       1.174  -1.519   1.204  1.00  0.00           H  
HETATM   28  H   UNL     1       2.792  -2.983   0.232  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.590  -3.304  -0.332  1.00  0.00           H  
CONECT    1    6    3    2   20                                       
CONECT    2    1   29                                                 
CONECT    3    5    4    1   27                                       
CONECT    4    3   28                                                 
CONECT    5    8    7    3   24                                       
CONECT    6   16   14   11    1                                       
CONECT    7    5   26                                                 
CONECT    8   11    9    5   21                                       
CONECT    9    8   10   22   23                                       
CONECT   10    9   25                                                 
CONECT   11    6    8                                                 
CONECT   12   13   13   19                                            
CONECT   13   15   12   12   14                                       
CONECT   14   13    6                                                 
CONECT   15   16   13   18                                            
CONECT   16   17   17   15    6                                       
CONECT   17   16   16                                                 
CONECT   18   15                                                      
CONECT   19   12                                                      
CONECT   20    1                                                      
CONECT   21    8                                                      
CONECT   22    9                                                      
CONECT   23    9                                                      
CONECT   24    5                                                      
CONECT   25   10                                                      
CONECT   26    7                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    2                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
