COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.765  -1.272   0.032  1.00  0.00           C  
HETATM    2  C   UNL     1       0.451  -1.760  -0.028  1.00  0.00           C  
HETATM    3  C   UNL     1       0.957   0.988  -0.113  1.00  0.00           C  
HETATM    4  O   UNL     1       4.071   0.910  -1.276  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.406  -0.844   0.235  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.898   1.894   0.149  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.855   0.993  -0.039  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.478   1.475  -0.283  1.00  0.00           C  
HETATM    9  S   UNL     1       3.662   0.687   0.066  1.00  0.00           S  
HETATM   10  O   UNL     1       4.358  -0.174   0.958  1.00  0.00           O  
HETATM   11  O   UNL     1       3.618   2.053   0.735  1.00  0.00           O  
HETATM   12  C   UNL     1       2.006   0.090  -0.011  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.354   0.526  -0.174  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.276   2.638  -0.571  1.00  0.00           O  
HETATM   15  C   UNL     1      -5.180   1.425   0.377  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.432   0.066   0.420  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.112  -0.390   0.004  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.002  -1.348  -0.195  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.233  -2.522  -0.408  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.612  -0.861  -0.131  1.00  0.00           C  
HETATM   21  N   UNL     1       0.210  -3.125   0.014  1.00  0.00           N  
HETATM   22  O   UNL     1       2.804  -2.140   0.138  1.00  0.00           O  
HETATM   23  H   UNL     1       1.157   2.048  -0.146  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.610  -1.904   0.269  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.707   2.957   0.116  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.989   2.125   0.524  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.437  -0.287   0.599  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.675  -3.455   0.234  1.00  0.00           H  
HETATM   29  H   UNL     1       0.927  -3.750  -0.177  1.00  0.00           H  
HETATM   30  H   UNL     1       3.161  -2.432  -0.712  1.00  0.00           H  
HETATM   31  H   UNL     1       4.484   2.474   0.828  1.00  0.00           H  
CONECT    1   12   22    2    2                                       
CONECT    2    1    1   21   20                                       
CONECT    3   12   12   13   23                                       
CONECT    4    9    9                                                 
CONECT    5   17   17   16   24                                       
CONECT    6   15    7    7   25                                       
CONECT    7    6    6   17    8                                       
CONECT    8    7   13   14   14                                       
CONECT    9   10   10   12   11                                       
CONECT    9    4    4                                                 
CONECT   10    9    9                                                 
CONECT   11    9   31                                                 
CONECT   12    9    1    3    3                                       
CONECT   13    3   20   20    8                                       
CONECT   14    8    8                                                 
CONECT   15   16   16    6   26                                       
CONECT   16    5   15   15   27                                       
CONECT   17   18    5    5    7                                       
CONECT   18   20   17   19   19                                       
CONECT   19   18   18                                                 
CONECT   20   13   13    2   18                                       
CONECT   21    2   28   29                                            
CONECT   22    1   30                                                 
CONECT   23    3                                                      
CONECT   24    5                                                      
CONECT   25    6                                                      
CONECT   26   15                                                      
CONECT   27   16                                                      
CONECT   28   21                                                      
CONECT   29   21                                                      
CONECT   30   22                                                      
CONECT   31   11                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
