COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      16.697   4.860  14.071  1.00  0.00           C  
HETATM    2  C   UNL     1      17.724   5.785  14.957  1.00  0.00           C  
HETATM    3  C   UNL     1      16.601   3.382  14.552  1.00  0.00           C  
HETATM    4  O   UNL     1      16.657   3.324  17.273  1.00  0.00           O  
HETATM    5  S   UNL     1      15.866   2.785  16.142  1.00  0.00           S  
HETATM    6  O   UNL     1      14.476   3.285  16.082  1.00  0.00           O  
HETATM    7  N   UNL     1      15.925   1.212  16.054  1.00  0.00           N  
HETATM    8  B   UNL     1      16.002   6.060  15.026  1.00  0.00           B  
HETATM    9  B   UNL     1      15.659   7.376  14.032  1.00  0.00           B  
HETATM   10  B   UNL     1      15.336   5.663  13.429  1.00  0.00           B  
HETATM   11  B   UNL     1      17.141   7.864  13.315  1.00  0.00           B  
HETATM   12  B   UNL     1      17.145   7.402  15.054  1.00  0.00           B  
HETATM   13  B   UNL     1      16.042   6.849  12.371  1.00  0.00           B  
HETATM   14  B   UNL     1      16.708   5.216  12.317  1.00  0.00           B  
HETATM   15  B   UNL     1      17.839   6.583  12.304  1.00  0.00           B  
HETATM   16  B   UNL     1      18.140   5.234  13.336  1.00  0.00           B  
HETATM   17  B   UNL     1      18.450   6.921  13.983  1.00  0.00           B  
HETATM   18  H   UNL     1      16.037   2.861  13.764  1.00  0.00           H  
HETATM   19  H   UNL     1      17.639   3.017  14.563  1.00  0.00           H  
HETATM   20  H   UNL     1      15.540   0.816  16.888  1.00  0.00           H  
HETATM   21  H   UNL     1      15.396   0.902  15.264  1.00  0.00           H  
CONECT    1    2    3    8   10                                       
CONECT    1   16   14                                                 
CONECT    2    1   12   17    8                                       
CONECT    2   16                                                      
CONECT    3    1    5   18   19                                       
CONECT    4    5    5                                                 
CONECT    5    3    4    4    6                                       
CONECT    5    6    7                                                 
CONECT    6    5    5                                                 
CONECT    7    5   20   21                                            
CONECT    8    1    9   10   12                                       
CONECT    8    2                                                      
CONECT    9    8   11   13   10                                       
CONECT    9   12                                                      
CONECT   10    1    8   13    9                                       
CONECT   10   14                                                      
CONECT   11    9   13   15   17                                       
CONECT   11   12                                                      
CONECT   12    2    8   17    9                                       
CONECT   12   11                                                      
CONECT   13    9   10   11   14                                       
CONECT   13   15                                                      
CONECT   14   13   15   16   10                                       
CONECT   14    1                                                      
CONECT   15   11   14   16   17                                       
CONECT   15   13                                                      
CONECT   16    1   14   15    2                                       
CONECT   16   17                                                      
CONECT   17    2   11   12   16                                       
CONECT   17   15                                                      
CONECT   18    3                                                      
CONECT   19    3                                                      
CONECT   20    7                                                      
CONECT   21    7                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
