COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  B   UNL     1       0.353  -0.153   3.582  1.00  0.00           B  
HETATM    2  O   UNL     1       0.676  -0.948   4.713  1.00  0.00           O  
HETATM    3  O   UNL     1       1.311   0.749   3.051  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.065  -0.272   2.919  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.149   0.644   1.779  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.788   0.226   0.550  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.393  -0.909   0.387  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.875   1.169  -0.621  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.417   0.461  -1.871  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.144  -0.262  -2.757  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.506  -0.824  -3.846  1.00  0.00           C  
HETATM   12  C   UNL     1       0.829  -0.645  -3.990  1.00  0.00           C  
HETATM   13  S   UNL     1       1.224   0.350  -2.562  1.00  0.00           S  
HETATM   14  H   UNL     1       1.584  -0.725   4.961  1.00  0.00           H  
HETATM   15  H   UNL     1       2.105   0.667   3.597  1.00  0.00           H  
HETATM   16  H   UNL     1      -1.221  -1.294   2.575  1.00  0.00           H  
HETATM   17  H   UNL     1      -1.830  -0.014   3.651  1.00  0.00           H  
HETATM   18  H   UNL     1      -1.465   1.552   1.909  1.00  0.00           H  
HETATM   19  H   UNL     1      -1.907   1.497  -0.748  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.238   2.034  -0.440  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.208  -0.389  -2.619  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.063  -1.401  -4.570  1.00  0.00           H  
HETATM   23  H   UNL     1       1.484  -1.011  -4.767  1.00  0.00           H  
CONECT    1    2    3    4                                            
CONECT    2    1   14                                                 
CONECT    3    1   15                                                 
CONECT    4    1    5   16   17                                       
CONECT    5    4    6   18                                            
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   19   20                                       
CONECT    9    8   10   10   13                                       
CONECT   10    9    9   11   21                                       
CONECT   11   10   12   12   22                                       
CONECT   12   11   11   13   23                                       
CONECT   13    9   12                                                 
CONECT   14    2                                                      
CONECT   15    3                                                      
CONECT   16    4                                                      
CONECT   17    4                                                      
CONECT   18    5                                                      
CONECT   19    8                                                      
CONECT   20    8                                                      
CONECT   21   10                                                      
CONECT   22   11                                                      
CONECT   23   12                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
