COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.572   1.268  -0.329  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.759   0.546   0.574  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.550  -0.419   1.436  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.781   0.169   1.856  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.639  -0.600   2.643  1.00  0.00           C  
HETATM    6  C   UNL     1       0.354  -1.740   2.473  1.00  0.00           C  
HETATM    7  O   UNL     1       1.158  -1.819   3.638  1.00  0.00           O  
HETATM    8  O   UNL     1       0.104   0.632   2.780  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.108   1.457   1.611  1.00  0.00           C  
HETATM   10  C   UNL     1       1.158   2.105   1.122  1.00  0.00           C  
HETATM   11  N   UNL     1       2.357   1.568   1.217  1.00  0.00           N  
HETATM   12  S   UNL     1       1.076   3.652   0.380  1.00  0.00           S  
HETATM   13  C   UNL     1       2.777   3.615   0.164  1.00  0.00           C  
HETATM   14  C   UNL     1       3.282   2.434   0.667  1.00  0.00           C  
HETATM   15  C   UNL     1       4.675   2.086   0.643  1.00  0.00           C  
HETATM   16  O   UNL     1       5.545   2.852   0.168  1.00  0.00           O  
HETATM   17  N   UNL     1       5.063   0.855   1.186  1.00  0.00           N  
HETATM   18  H   UNL     1      -1.152   1.209  -1.205  1.00  0.00           H  
HETATM   19  H   UNL     1       0.001  -0.001   0.002  1.00  0.00           H  
HETATM   20  H   UNL     1      -1.797  -1.352   0.923  1.00  0.00           H  
HETATM   21  H   UNL     1      -3.060   0.760   1.141  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.205  -0.750   3.568  1.00  0.00           H  
HETATM   23  H   UNL     1       0.994  -1.555   1.609  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.177  -2.684   2.340  1.00  0.00           H  
HETATM   25  H   UNL     1       1.683  -2.634   3.567  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.794   2.262   1.902  1.00  0.00           H  
HETATM   27  H   UNL     1       3.304   4.433  -0.307  1.00  0.00           H  
HETATM   28  H   UNL     1       4.354   0.247   1.581  1.00  0.00           H  
HETATM   29  H   UNL     1       6.032   0.552   1.198  1.00  0.00           H  
CONECT    1    2   18                                                 
CONECT    2    1    9    3   19                                       
CONECT    3    2    5    4   20                                       
CONECT    4    3   21                                                 
CONECT    5    3    6    8   22                                       
CONECT    6    5    7   23   24                                       
CONECT    7    6   25                                                 
CONECT    8    5    9                                                 
CONECT    9    2    8   10   26                                       
CONECT   10    9   12   11   11                                       
CONECT   11   10   10   14                                            
CONECT   12   10   13                                                 
CONECT   13   12   14   14   27                                       
CONECT   14   11   13   13   15                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   28   29                                            
CONECT   18    1                                                      
CONECT   19    2                                                      
CONECT   20    3                                                      
CONECT   21    4                                                      
CONECT   22    5                                                      
CONECT   23    6                                                      
CONECT   24    6                                                      
CONECT   25    7                                                      
CONECT   26    9                                                      
CONECT   27   13                                                      
CONECT   28   17                                                      
CONECT   29   17                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
