COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.709   0.522  -0.221  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.496   0.966   0.002  1.00  0.00           N  
HETATM    3  N   UNL     1       1.805   1.370  -0.253  1.00  0.00           N  
HETATM    4  C   UNL     1       3.032   0.918   0.422  1.00  0.00           C  
HETATM    5  C   UNL     1       3.350  -0.508  -0.043  1.00  0.00           C  
HETATM    6  C   UNL     1       2.139  -1.408   0.226  1.00  0.00           C  
HETATM    7  N   UNL     1       0.963  -0.825  -0.432  1.00  0.00           N  
HETATM    8  S   UNL     1      -1.774  -0.087   0.031  1.00  0.00           S  
HETATM    9  N   UNL     1      -3.136   0.805   0.335  1.00  0.00           N  
HETATM   10  O   UNL     1      -1.911  -0.589  -1.292  1.00  0.00           O  
HETATM   11  O   UNL     1      -1.580  -0.922   1.163  1.00  0.00           O  
HETATM   12  H   UNL     1       3.858   1.580   0.162  1.00  0.00           H  
HETATM   13  H   UNL     1       2.879   0.925   1.501  1.00  0.00           H  
HETATM   14  H   UNL     1       3.570  -0.503  -1.110  1.00  0.00           H  
HETATM   15  H   UNL     1       4.213  -0.886   0.506  1.00  0.00           H  
HETATM   16  H   UNL     1       2.327  -2.405  -0.173  1.00  0.00           H  
HETATM   17  H   UNL     1       1.960  -1.469   1.300  1.00  0.00           H  
HETATM   18  H   UNL     1       0.386  -1.360  -0.999  1.00  0.00           H  
HETATM   19  H   UNL     1      -3.993   0.516  -0.017  1.00  0.00           H  
HETATM   20  H   UNL     1      -3.077   1.615   0.865  1.00  0.00           H  
HETATM   21  H   UNL     1       1.765   2.228  -0.704  1.00  0.00           H  
CONECT    1    3    7    2    2                                       
CONECT    2    1    1    8                                            
CONECT    3    4    1   21                                            
CONECT    4    5    3   12   13                                       
CONECT    5    4    6   14   15                                       
CONECT    6    5    7   16   17                                       
CONECT    7    6    1   18                                            
CONECT    8    9   10   10    2                                       
CONECT    8   11   11                                                 
CONECT    9    8   19   20                                            
CONECT   10    8    8                                                 
CONECT   11    8    8                                                 
CONECT   12    4                                                      
CONECT   13    4                                                      
CONECT   14    5                                                      
CONECT   15    5                                                      
CONECT   16    6                                                      
CONECT   17    6                                                      
CONECT   18    7                                                      
CONECT   19    9                                                      
CONECT   20    9                                                      
CONECT   21    3                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
