COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.428  -2.228   0.742  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.031  -1.103   0.505  1.00  0.00           C  
HETATM    3  C   UNL     1       1.372  -0.856   0.147  1.00  0.00           C  
HETATM    4  C   UNL     1       2.443  -1.756   0.014  1.00  0.00           C  
HETATM    5  C   UNL     1       3.694  -1.300  -0.334  1.00  0.00           C  
HETATM    6  C   UNL     1       3.923   0.046  -0.561  1.00  0.00           C  
HETATM    7  C   UNL     1       2.877   0.948  -0.434  1.00  0.00           C  
HETATM    8  C   UNL     1       1.633   0.500  -0.088  1.00  0.00           C  
HETATM    9  S   UNL     1       0.067   1.284   0.175  1.00  0.00           S  
HETATM   10  O   UNL     1       0.179   2.081   1.346  1.00  0.00           O  
HETATM   11  O   UNL     1      -0.383   1.772  -1.081  1.00  0.00           O  
HETATM   12  N   UNL     1      -0.862  -0.052   0.557  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.289  -0.070   0.889  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.089  -0.371  -0.352  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.526  -0.552  -1.405  1.00  0.00           O  
HETATM   16  O   UNL     1      -4.428  -0.438  -0.287  1.00  0.00           O  
HETATM   17  H   UNL     1       2.284  -2.810   0.187  1.00  0.00           H  
HETATM   18  H   UNL     1       4.509  -2.003  -0.432  1.00  0.00           H  
HETATM   19  H   UNL     1       4.909   0.391  -0.834  1.00  0.00           H  
HETATM   20  H   UNL     1       3.045   2.001  -0.608  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.478  -0.839   1.638  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.582   0.903   1.283  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.898  -0.634  -1.109  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   12    1    1                                       
CONECT    3    8    8    4    2                                       
CONECT    4    5    5    3   17                                       
CONECT    5    6    4    4   18                                       
CONECT    6    7    7    5   19                                       
CONECT    7    6    6    8   20                                       
CONECT    8    7    9    3    3                                       
CONECT    9   11   11    8   10                                       
CONECT    9   10   12                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    9    2   13                                            
CONECT   13   12   14   21   22                                       
CONECT   14   15   15   16   13                                       
CONECT   15   14   14                                                 
CONECT   16   14   23                                                 
CONECT   17    4                                                      
CONECT   18    5                                                      
CONECT   19    6                                                      
CONECT   20    7                                                      
CONECT   21   13                                                      
CONECT   22   13                                                      
CONECT   23   16                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
