COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.261  -0.271  -0.336  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.044   1.058   0.048  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.675   1.572   0.183  1.00  0.00           C  
HETATM    4  C   UNL     1       1.794   1.013   0.375  1.00  0.00           C  
HETATM    5  C   UNL     1       0.358   0.712   0.369  1.00  0.00           C  
HETATM    6  C   UNL     1       2.041  -1.240   0.757  1.00  0.00           C  
HETATM    7  C   UNL     1       4.037   0.138   0.600  1.00  0.00           C  
HETATM    8  C   UNL     1       4.584  -0.033  -0.794  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.137   1.895   0.304  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.418   1.408   0.176  1.00  0.00           C  
HETATM   11  N   UNL     1       2.582  -0.030   0.578  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.546  -0.747  -0.461  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.038  -1.753  -0.725  1.00  0.00           C  
HETATM   14  O   UNL     1      -5.894  -0.387  -0.330  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.628   0.088  -0.206  1.00  0.00           C  
HETATM   16  S   UNL     1       0.282  -1.037   0.663  1.00  0.00           S  
HETATM   17  O   UNL     1       2.640  -2.280   0.952  1.00  0.00           O  
HETATM   18  O   UNL     1       5.903   0.079  -1.016  1.00  0.00           O  
HETATM   19  O   UNL     1       3.835  -0.271  -1.712  1.00  0.00           O  
HETATM   20  O   UNL     1       2.227   2.137   0.202  1.00  0.00           O  
HETATM   21  H   UNL     1      -1.421  -0.919  -0.538  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.490   2.635   0.133  1.00  0.00           H  
HETATM   23  H   UNL     1       4.479  -0.610   1.258  1.00  0.00           H  
HETATM   24  H   UNL     1       4.282   1.135   0.966  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.975   2.921   0.600  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.262   2.053   0.372  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.715  -1.771  -0.761  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.573  -1.900  -1.699  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.554  -2.397   0.010  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.097  -2.004  -0.786  1.00  0.00           H  
HETATM   31  H   UNL     1       6.206  -0.039  -1.926  1.00  0.00           H  
CONECT    1    2    2   12   21                                       
CONECT    2    9    3    1    1                                       
CONECT    3    5    5    2   22                                       
CONECT    4   11    5   20   20                                       
CONECT    5   16    4    3    3                                       
CONECT    6   17   17   16   11                                       
CONECT    7   11    8   23   24                                       
CONECT    8    7   19   19   18                                       
CONECT    9   10   10    2   25                                       
CONECT   10    9    9   15   26                                       
CONECT   11    6    7    4                                            
CONECT   12   15   15    1   27                                       
CONECT   13   14   28   29   30                                       
CONECT   14   15   13                                                 
CONECT   15   10   14   12   12                                       
CONECT   16    6    5                                                 
CONECT   17    6    6                                                 
CONECT   18    8   31                                                 
CONECT   19    8    8                                                 
CONECT   20    4    4                                                 
CONECT   21    1                                                      
CONECT   22    3                                                      
CONECT   23    7                                                      
CONECT   24    7                                                      
CONECT   25    9                                                      
CONECT   26   10                                                      
CONECT   27   12                                                      
CONECT   28   13                                                      
CONECT   29   13                                                      
CONECT   30   13                                                      
CONECT   31   18                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
