COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.414   2.975  -0.504  1.00  0.00           C  
HETATM    2  C   UNL     1       0.004   2.514   0.897  1.00  0.00           C  
HETATM    3  O   UNL     1       1.111  -1.919   0.051  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.077   0.222  -1.318  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.462  -0.788   0.558  1.00  0.00           C  
HETATM    6  C   UNL     1       1.178   1.840   0.181  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.414   0.526   0.331  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.271   0.964  -0.317  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.392   0.006  -0.616  1.00  0.00           C  
HETATM   10  S   UNL     1       1.918  -0.761   0.221  1.00  0.00           S  
HETATM   11  O   UNL     1       2.334  -0.342   1.513  1.00  0.00           O  
HETATM   12  C   UNL     1       3.326  -0.794  -0.922  1.00  0.00           C  
HETATM   13  N   UNL     1       0.970   0.481  -0.326  1.00  0.00           N  
HETATM   14  S   UNL     1      -2.004  -1.549  -0.065  1.00  0.00           S  
HETATM   15  H   UNL     1      -0.243   2.711  -1.332  1.00  0.00           H  
HETATM   16  H   UNL     1       0.915   3.939  -0.590  1.00  0.00           H  
HETATM   17  H   UNL     1       0.237   3.175   1.732  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.922   1.947   0.989  1.00  0.00           H  
HETATM   19  H   UNL     1       0.179  -0.668  -1.893  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.160   1.077  -1.990  1.00  0.00           H  
HETATM   21  H   UNL     1      -4.271  -1.304   1.054  1.00  0.00           H  
HETATM   22  H   UNL     1       2.182   2.057   0.546  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.205   1.196   0.629  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.105   2.002  -0.562  1.00  0.00           H  
HETATM   25  H   UNL     1       2.967  -0.972  -1.936  1.00  0.00           H  
HETATM   26  H   UNL     1       3.847   0.163  -0.884  1.00  0.00           H  
HETATM   27  H   UNL     1       4.010  -1.592  -0.634  1.00  0.00           H  
CONECT    1    2    6   15   16                                       
CONECT    2    6    1   17   18                                       
CONECT    3   10   10                                                 
CONECT    4    9   13   19   20                                       
CONECT    5    7    7   14   21                                       
CONECT    6   13    2    1   22                                       
CONECT    7    5    5    8   23                                       
CONECT    8    7    9    9   24                                       
CONECT    9    8    8   14    4                                       
CONECT   10   11   11   13   12                                       
CONECT   10    3    3                                                 
CONECT   11   10   10                                                 
CONECT   12   10   25   26   27                                       
CONECT   13    4   10    6                                            
CONECT   14    5    9                                                 
CONECT   15    1                                                      
CONECT   16    1                                                      
CONECT   17    2                                                      
CONECT   18    2                                                      
CONECT   19    4                                                      
CONECT   20    4                                                      
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    8                                                      
CONECT   25   12                                                      
CONECT   26   12                                                      
CONECT   27   12                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
