COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  B   UNL     1      -0.250   0.000   2.843  1.00  0.00           B  
HETATM    2  O   UNL     1       0.899   0.000   3.676  1.00  0.00           O  
HETATM    3  O   UNL     1      -1.546   0.000   3.424  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.089   0.000   1.282  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.059  -0.005   0.331  1.00  0.00           C  
HETATM    6  C   UNL     1       0.681   0.000  -1.298  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.709   0.000  -1.030  1.00  0.00           C  
HETATM    8  C   UNL     1       1.181   0.000  -2.582  1.00  0.00           C  
HETATM    9  S   UNL     1       1.412   0.000   0.319  1.00  0.00           S  
HETATM   10  C   UNL     1      -1.568   0.001  -2.159  1.00  0.00           C  
HETATM   11  C   UNL     1       0.309   0.000  -3.652  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.060   0.000  -3.418  1.00  0.00           C  
HETATM   13  H   UNL     1       0.583   0.000   4.590  1.00  0.00           H  
HETATM   14  H   UNL     1      -1.423   0.000   4.383  1.00  0.00           H  
HETATM   15  H   UNL     1      -2.100  -0.009   0.621  1.00  0.00           H  
HETATM   16  H   UNL     1       2.248   0.000  -2.750  1.00  0.00           H  
HETATM   17  H   UNL     1      -2.638   0.002  -2.015  1.00  0.00           H  
HETATM   18  H   UNL     1       0.688   0.000  -4.663  1.00  0.00           H  
HETATM   19  H   UNL     1      -1.738   0.001  -4.259  1.00  0.00           H  
CONECT    1    2    3    4                                            
CONECT    2    1   13                                                 
CONECT    3    1   14                                                 
CONECT    4    1    5    5    9                                       
CONECT    5    4    4    7   15                                       
CONECT    6    7    7    8    9                                       
CONECT    7    5    6    6   10                                       
CONECT    8    6   11   11   16                                       
CONECT    9    4    6                                                 
CONECT   10    7   12   12   17                                       
CONECT   11    8    8   12   18                                       
CONECT   12   10   10   11   19                                       
CONECT   13    2                                                      
CONECT   14    3                                                      
CONECT   15    5                                                      
CONECT   16    8                                                      
CONECT   17   10                                                      
CONECT   18   11                                                      
CONECT   19   12                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
