COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  B   UNL     1       4.257   0.100  -0.002  1.00  0.00           B  
HETATM    2  O   UNL     1       4.640   1.468   0.002  1.00  0.00           O  
HETATM    3  O   UNL     1       5.250  -0.914  -0.002  1.00  0.00           O  
HETATM    4  C   UNL     1       2.736  -0.290  -0.001  1.00  0.00           C  
HETATM    5  C   UNL     1       2.207  -1.599   0.001  1.00  0.00           C  
HETATM    6  N   UNL     1       0.906  -1.510   0.001  1.00  0.00           N  
HETATM    7  N   UNL     1       0.545  -0.158  -0.001  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.760   0.338  -0.001  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.847  -0.532   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.122   0.009  -0.001  1.00  0.00           C  
HETATM   11 CL   UNL     1      -4.517  -1.025   0.001  1.00  0.00          Cl  
HETATM   12  N   UNL     1      -3.264   1.327  -0.002  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.213   2.122  -0.003  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.984   1.648   0.003  1.00  0.00           N  
HETATM   15  C   UNL     1       1.669   0.582   0.004  1.00  0.00           C  
HETATM   16  H   UNL     1       5.596   1.609   0.005  1.00  0.00           H  
HETATM   17  H   UNL     1       4.894  -1.814  -0.005  1.00  0.00           H  
HETATM   18  H   UNL     1       2.780  -2.515   0.002  1.00  0.00           H  
HETATM   19  H   UNL     1      -1.700  -1.602   0.000  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.363   3.191  -0.004  1.00  0.00           H  
HETATM   21  H   UNL     1       1.724   1.661   0.004  1.00  0.00           H  
CONECT    1    4    3    2                                            
CONECT    2    1   16                                                 
CONECT    3    1   17                                                 
CONECT    4   15   15    5    1                                       
CONECT    5    6    6    4   18                                       
CONECT    6    7    5    5                                            
CONECT    7    8    6   15                                            
CONECT    8    9    9   14    7                                       
CONECT    9   10    8    8   19                                       
CONECT   10   11   12   12    9                                       
CONECT   11   10                                                      
CONECT   12   10   10   13                                            
CONECT   13   12   14   14   20                                       
CONECT   14   13   13    8                                            
CONECT   15    7    4    4   21                                       
CONECT   16    2                                                      
CONECT   17    3                                                      
CONECT   18    5                                                      
CONECT   19    9                                                      
CONECT   20   13                                                      
CONECT   21   15                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
