COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.461   0.452   0.528  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.640   1.233   0.019  1.00  0.00           O  
HETATM    3  C   UNL     1       1.749   0.852  -0.228  1.00  0.00           C  
HETATM    4  O   UNL     1       2.647   1.554   0.633  1.00  0.00           O  
HETATM    5  C   UNL     1       2.331  -0.525  -0.634  1.00  0.00           C  
HETATM    6  O   UNL     1       1.160  -1.302  -0.960  1.00  0.00           O  
HETATM    7  C   UNL     1       0.139  -0.983   0.027  1.00  0.00           C  
HETATM    8  C   UNL     1       0.071  -2.019   1.151  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.122  -0.812  -0.659  1.00  0.00           O  
HETATM   10  B   UNL     1      -1.676   0.331  -0.122  1.00  0.00           B1-
HETATM   11  O   UNL     1      -2.229   0.059   1.098  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.623   0.834  -0.969  1.00  0.00           O  
HETATM   13  H   UNL     1       0.566   0.517   1.611  1.00  0.00           H  
HETATM   14  H   UNL     1       1.513   1.449  -1.109  1.00  0.00           H  
HETATM   15  H   UNL     1       3.470   1.827   0.205  1.00  0.00           H  
HETATM   16  H   UNL     1       2.977  -0.421  -1.505  1.00  0.00           H  
HETATM   17  H   UNL     1       2.874  -0.979   0.195  1.00  0.00           H  
HETATM   18  H   UNL     1       1.038  -2.076   1.651  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.693  -1.725   1.871  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.179  -2.993   0.732  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.613   0.831   1.537  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.031   1.654  -0.660  1.00  0.00           H  
CONECT    1    3    7    2   13                                       
CONECT    2    1   10                                                 
CONECT    3    4    5    1   14                                       
CONECT    4    3   15                                                 
CONECT    5    6    3   16   17                                       
CONECT    6    5    7                                                 
CONECT    7    6    8    1    9                                       
CONECT    8    7   18   19   20                                       
CONECT    9    7   10                                                 
CONECT   10    9    2   12   11                                       
CONECT   11   10   21                                                 
CONECT   12   10   22                                                 
CONECT   13    1                                                      
CONECT   14    3                                                      
CONECT   15    4                                                      
CONECT   16    5                                                      
CONECT   17    5                                                      
CONECT   18    8                                                      
CONECT   19    8                                                      
CONECT   20    8                                                      
CONECT   21   11                                                      
CONECT   22   12                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
