COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  B   UNL     1       2.538   0.499  -0.001  1.00  0.00           B  
HETATM    2  O   UNL     1       3.749  -0.244  -0.001  1.00  0.00           O  
HETATM    3  O   UNL     1       2.577   1.918   0.000  1.00  0.00           O  
HETATM    4  C   UNL     1       1.158  -0.250   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.031   0.477   0.006  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.242  -0.186   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.505   0.584  -0.001  1.00  0.00           N1+
HETATM    8  O   UNL     1      -3.574   0.001  -0.001  1.00  0.00           O  
HETATM    9  O   UNL     1      -2.477   1.802  -0.001  1.00  0.00           O1-
HETATM   10  C   UNL     1      -1.276  -1.569   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.098  -2.295   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.118  -1.643  -0.001  1.00  0.00           C  
HETATM   13  H   UNL     1       4.471   0.399  -0.001  1.00  0.00           H  
HETATM   14  H   UNL     1       3.510   2.173  -0.001  1.00  0.00           H  
HETATM   15  H   UNL     1      -0.006   1.557   0.006  1.00  0.00           H  
HETATM   16  H   UNL     1      -2.225  -2.083   0.001  1.00  0.00           H  
HETATM   17  H   UNL     1      -0.130  -3.375   0.000  1.00  0.00           H  
HETATM   18  H   UNL     1       2.036  -2.211  -0.001  1.00  0.00           H  
CONECT    1    2    3    4                                            
CONECT    2    1   13                                                 
CONECT    3    1   14                                                 
CONECT    4    1    5    5   12                                       
CONECT    5    4    4    6   15                                       
CONECT    6    5    7   10   10                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7                                                      
CONECT   10    6    6   11   16                                       
CONECT   11   10   12   12   17                                       
CONECT   12    4   11   11   18                                       
CONECT   13    2                                                      
CONECT   14    3                                                      
CONECT   15    5                                                      
CONECT   16   10                                                      
CONECT   17   11                                                      
CONECT   18   12                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
