COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.533   0.054  -2.215  1.00  0.00           C  
HETATM    2  C   UNL     1       2.337   0.572  -1.414  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.145   0.202   0.670  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.392  -1.159   0.490  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.664  -0.692  -0.083  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.691   1.359  -0.177  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.428   0.684   0.101  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.155   1.125   0.481  1.00  0.00           C  
HETATM    9  S   UNL     1       2.472   0.011   0.306  1.00  0.00           S  
HETATM   10  O   UNL     1       2.295  -1.397   0.386  1.00  0.00           O  
HETATM   11  O   UNL     1       3.562   0.650   0.955  1.00  0.00           O  
HETATM   12  N   UNL     1       1.131   0.634   1.050  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.629  -1.601   0.119  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.981  -0.820  -0.449  1.00  0.00           N  
HETATM   15  N   UNL     1      -4.566   0.449  -0.500  1.00  0.00           N  
HETATM   16  H   UNL     1       4.456   0.437  -1.779  1.00  0.00           H  
HETATM   17  H   UNL     1       3.544  -1.036  -2.188  1.00  0.00           H  
HETATM   18  H   UNL     1       3.452   0.391  -3.248  1.00  0.00           H  
HETATM   19  H   UNL     1       2.326   1.661  -1.441  1.00  0.00           H  
HETATM   20  H   UNL     1       1.414   0.189  -1.850  1.00  0.00           H  
HETATM   21  H   UNL     1       0.405  -1.871   0.644  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.868   2.424  -0.132  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.964   2.178   0.626  1.00  0.00           H  
HETATM   24  H   UNL     1       1.229   1.299   1.750  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.805  -2.657  -0.021  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.433  -1.656  -0.641  1.00  0.00           H  
CONECT    1    2   16   17   18                                       
CONECT    2    1    9   19   20                                       
CONECT    3    8   12    4    4                                       
CONECT    4    3    3   13   21                                       
CONECT    5    7   14   13   13                                       
CONECT    6   15   15    7   22                                       
CONECT    7    6    8    8    5                                       
CONECT    8    7    7    3   23                                       
CONECT    9    2   11   11   12                                       
CONECT    9   10   10                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    9    3   24                                            
CONECT   13    5    5    4   25                                       
CONECT   14   15    5   26                                            
CONECT   15    6    6   14                                            
CONECT   16    1                                                      
CONECT   17    1                                                      
CONECT   18    1                                                      
CONECT   19    2                                                      
CONECT   20    2                                                      
CONECT   21    4                                                      
CONECT   22    6                                                      
CONECT   23    8                                                      
CONECT   24   12                                                      
CONECT   25   13                                                      
CONECT   26   14                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
