COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.331   0.677  -0.532  1.00  0.00           C  
HETATM    2  C   UNL     1       3.849   1.017  -0.363  1.00  0.00           C  
HETATM    3  C   UNL     1       0.632   0.421  -0.783  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.836   0.482  -0.447  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.723   1.763   0.287  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.531   0.634   0.180  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.054  -1.556  -0.267  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.967  -0.581  -0.255  1.00  0.00           C  
HETATM    9  S   UNL     1       2.967  -0.429   0.284  1.00  0.00           S  
HETATM   10  O   UNL     1       2.923  -1.464  -0.689  1.00  0.00           O  
HETATM   11  O   UNL     1       3.364  -0.698   1.622  1.00  0.00           O  
HETATM   12  N   UNL     1       1.394   0.071   0.418  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.395   1.681  -0.024  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.860   0.393   0.410  1.00  0.00           N  
HETATM   15  N   UNL     1      -5.136  -0.950   0.132  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.605  -0.640  -0.567  1.00  0.00           C  
HETATM   17  H   UNL     1       5.435  -0.154  -1.230  1.00  0.00           H  
HETATM   18  H   UNL     1       5.861   1.546  -0.921  1.00  0.00           H  
HETATM   19  H   UNL     1       5.752   0.397   0.433  1.00  0.00           H  
HETATM   20  H   UNL     1       3.744   1.849   0.334  1.00  0.00           H  
HETATM   21  H   UNL     1       3.428   1.298  -1.328  1.00  0.00           H  
HETATM   22  H   UNL     1       0.797  -0.336  -1.551  1.00  0.00           H  
HETATM   23  H   UNL     1       0.961   1.392  -1.153  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.145   2.702   0.615  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.973  -2.595  -0.549  1.00  0.00           H  
HETATM   26  H   UNL     1       0.977   0.134   1.292  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.772   2.559   0.061  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.507   1.048   0.715  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.163  -1.567  -0.901  1.00  0.00           H  
CONECT    1    2   17   18   19                                       
CONECT    2    1    9   20   21                                       
CONECT    3   12    4   22   23                                       
CONECT    4   16    3   13   13                                       
CONECT    5    6    6   13   24                                       
CONECT    6    8   14    5    5                                       
CONECT    7   15   15    8   25                                       
CONECT    8    7   16   16    6                                       
CONECT    9    2   11   11   12                                       
CONECT    9   10   10                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    9    3   26                                            
CONECT   13    4    4    5   27                                       
CONECT   14   15    6   28                                            
CONECT   15    7    7   14                                            
CONECT   16    8    8    4   29                                       
CONECT   17    1                                                      
CONECT   18    1                                                      
CONECT   19    1                                                      
CONECT   20    2                                                      
CONECT   21    2                                                      
CONECT   22    3                                                      
CONECT   23    3                                                      
CONECT   24    5                                                      
CONECT   25    7                                                      
CONECT   26   12                                                      
CONECT   27   13                                                      
CONECT   28   14                                                      
CONECT   29   16                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
