COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.227  -0.057   1.096  1.00  0.00           O  
HETATM    2  B   UNL     1       1.673  -0.334  -0.123  1.00  0.00           B  
HETATM    3  O   UNL     1       2.621  -0.840  -0.968  1.00  0.00           O  
HETATM    4  O   UNL     1       1.121   0.810  -0.661  1.00  0.00           O  
HETATM    5  O   UNL     1       0.638  -1.236   0.022  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.463  -0.454   0.528  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.142   0.980   0.022  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.058   1.998   1.161  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.143   1.314  -0.953  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.320   0.540  -0.640  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.751  -0.857  -0.226  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.668  -1.548   0.624  1.00  0.00           O  
HETATM   13  H   UNL     1       2.612  -0.827   1.537  1.00  0.00           H  
HETATM   14  H   UNL     1       3.030  -1.658  -0.655  1.00  0.00           H  
HETATM   15  H   UNL     1      -0.567  -0.514   1.611  1.00  0.00           H  
HETATM   16  H   UNL     1       0.223   2.971   0.758  1.00  0.00           H  
HETATM   17  H   UNL     1      -1.028   2.075   1.652  1.00  0.00           H  
HETATM   18  H   UNL     1       0.691   1.675   1.884  1.00  0.00           H  
HETATM   19  H   UNL     1      -2.863   0.987   0.193  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.964   0.450  -1.515  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.510  -1.454  -1.105  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.523  -1.734   0.212  1.00  0.00           H  
CONECT    1    2   13                                                 
CONECT    2    4    3    5    1                                       
CONECT    3    2   14                                                 
CONECT    4    7    2                                                 
CONECT    5    6    2                                                 
CONECT    6    7   11    5   15                                       
CONECT    7    9    8    4    6                                       
CONECT    8    7   16   17   18                                       
CONECT    9   10    7                                                 
CONECT   10    9   11   19   20                                       
CONECT   11   10   12    6   21                                       
CONECT   12   11   22                                                 
CONECT   13    1                                                      
CONECT   14    3                                                      
CONECT   15    6                                                      
CONECT   16    8                                                      
CONECT   17    8                                                      
CONECT   18    8                                                      
CONECT   19   10                                                      
CONECT   20   10                                                      
CONECT   21   11                                                      
CONECT   22   12                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
