COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.914  -2.975   0.655  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.187  -2.060  -0.006  1.00  0.00           C  
HETATM    3  O   UNL     1       0.750  -2.408  -0.684  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.539  -0.599   0.099  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.964  -0.380  -0.415  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.367   1.079  -0.194  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.741   1.329  -0.818  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.429   1.370   1.307  1.00  0.00           C  
HETATM    9  N   UNL     1       0.397   0.188  -0.708  1.00  0.00           N  
HETATM   10  S   UNL     1       1.732   0.866  -0.001  1.00  0.00           S  
HETATM   11  O   UNL     1       2.445   1.525  -1.039  1.00  0.00           O  
HETATM   12  O   UNL     1       1.273   1.529   1.169  1.00  0.00           O  
HETATM   13  N   UNL     1       2.698  -0.376   0.514  1.00  0.00           N  
HETATM   14  H   UNL     1      -0.649  -3.900   0.558  1.00  0.00           H  
HETATM   15  H   UNL     1      -0.476  -0.283   1.140  1.00  0.00           H  
HETATM   16  H   UNL     1      -2.006  -0.612  -1.479  1.00  0.00           H  
HETATM   17  H   UNL     1      -2.649  -1.032   0.126  1.00  0.00           H  
HETATM   18  H   UNL     1      -1.632   1.734  -0.661  1.00  0.00           H  
HETATM   19  H   UNL     1      -4.477   0.674  -0.352  1.00  0.00           H  
HETATM   20  H   UNL     1      -4.029   2.369  -0.661  1.00  0.00           H  
HETATM   21  H   UNL     1      -3.698   1.122  -1.888  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.450   1.192   1.752  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.716   2.410   1.464  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.164   0.715   1.774  1.00  0.00           H  
HETATM   25  H   UNL     1       0.234   0.312  -1.656  1.00  0.00           H  
HETATM   26  H   UNL     1       2.424  -1.296   0.370  1.00  0.00           H  
HETATM   27  H   UNL     1       3.538  -0.185   0.959  1.00  0.00           H  
CONECT    1    2   14                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    9    5   15                                       
CONECT    5    4    6   16   17                                       
CONECT    6    8    5    7   18                                       
CONECT    7    6   19   20   21                                       
CONECT    8    6   22   23   24                                       
CONECT    9   10    4   25                                            
CONECT   10   11   11   13    9                                       
CONECT   10   12   12                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   10   26   27                                            
CONECT   14    1                                                      
CONECT   15    4                                                      
CONECT   16    5                                                      
CONECT   17    5                                                      
CONECT   18    6                                                      
CONECT   19    7                                                      
CONECT   20    7                                                      
CONECT   21    7                                                      
CONECT   22    8                                                      
CONECT   23    8                                                      
CONECT   24    8                                                      
CONECT   25    9                                                      
CONECT   26   13                                                      
CONECT   27   13                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
