COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.639   1.342  -0.465  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.299  -1.383  -0.662  1.00  0.00           C  
HETATM    3  N   UNL     1       4.189   0.555  -1.238  1.00  0.00           N  
HETATM    4  C   UNL     1       2.926   0.487  -0.773  1.00  0.00           C  
HETATM    5  O   UNL     1       2.015   0.958  -1.419  1.00  0.00           O  
HETATM    6  C   UNL     1       2.646  -0.176   0.552  1.00  0.00           C  
HETATM    7  N   UNL     1       1.209  -0.122   0.831  1.00  0.00           N  
HETATM    8  C   UNL     1       0.573   1.050   1.465  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.380   1.697   0.473  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.015   2.807   1.110  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.441   0.771  -0.045  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.652   0.559  -0.975  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.485  -0.809  -1.081  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.293  -0.597  -0.130  1.00  0.00           C  
HETATM   15  S   UNL     1       0.181  -1.378   0.454  1.00  0.00           S  
HETATM   16  O   UNL     1      -0.152  -2.017   1.679  1.00  0.00           O  
HETATM   17  O   UNL     1       0.752  -2.058  -0.655  1.00  0.00           O  
HETATM   18  H   UNL     1      -2.777   2.411  -0.388  1.00  0.00           H  
HETATM   19  H   UNL     1      -2.161  -2.451  -0.743  1.00  0.00           H  
HETATM   20  H   UNL     1       4.369   0.982  -2.091  1.00  0.00           H  
HETATM   21  H   UNL     1       4.918   0.178  -0.721  1.00  0.00           H  
HETATM   22  H   UNL     1       2.970  -1.216   0.513  1.00  0.00           H  
HETATM   23  H   UNL     1       3.190   0.345   1.340  1.00  0.00           H  
HETATM   24  H   UNL     1       0.019   0.731   2.347  1.00  0.00           H  
HETATM   25  H   UNL     1       1.340   1.768   1.755  1.00  0.00           H  
HETATM   26  H   UNL     1       0.199   2.068  -0.373  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.643   3.279   0.545  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.579   1.015  -1.291  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.270  -1.423  -1.495  1.00  0.00           H  
CONECT    1   11   11   12   18                                       
CONECT    2   14   14   13   19                                       
CONECT    3    4   20   21                                            
CONECT    4    6    3    5    5                                       
CONECT    5    4    4                                                 
CONECT    6    7    4   22   23                                       
CONECT    7    8    6   15                                            
CONECT    8    9    7   24   25                                       
CONECT    9    8   10   11   26                                       
CONECT   10    9   27                                                 
CONECT   11    9    1    1   14                                       
CONECT   12    1   13   13   28                                       
CONECT   13   12   12    2   29                                       
CONECT   14   11   15    2    2                                       
CONECT   15    7   17   17   14                                       
CONECT   15   16   16                                                 
CONECT   16   15   15                                                 
CONECT   17   15   15                                                 
CONECT   18    1                                                      
CONECT   19    2                                                      
CONECT   20    3                                                      
CONECT   21    3                                                      
CONECT   22    6                                                      
CONECT   23    6                                                      
CONECT   24    8                                                      
CONECT   25    8                                                      
CONECT   26    9                                                      
CONECT   27   10                                                      
CONECT   28   12                                                      
CONECT   29   13                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
