COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.745  -0.051   0.023  1.00  0.00           C  
HETATM    2  C   UNL     1       3.565   1.042  -0.309  1.00  0.00           C  
HETATM    3  C   UNL     1       3.000   2.243  -0.608  1.00  0.00           C  
HETATM    4  C   UNL     1       1.402   0.085   0.041  1.00  0.00           C  
HETATM    5  N   UNL     1       0.823   1.283  -0.257  1.00  0.00           N  
HETATM    6  C   UNL     1       1.599   2.371  -0.579  1.00  0.00           C  
HETATM    7  N   UNL     1       0.773   3.379  -0.814  1.00  0.00           N  
HETATM    8  N   UNL     1      -0.443   2.991  -0.654  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.474   1.716  -0.321  1.00  0.00           C  
HETATM   10 BR   UNL     1       3.528  -1.722   0.438  1.00  0.00          Br  
HETATM   11  C   UNL     1      -1.681   0.909  -0.053  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.694   1.412   0.774  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.823   0.651   1.020  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.950  -0.607   0.450  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.947  -1.109  -0.371  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.820  -0.355  -0.628  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.060  -1.352   0.695  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.568   2.644   1.332  1.00  0.00           O  
HETATM   19 CL   UNL     1      -3.115  -2.684  -1.080  1.00  0.00          Cl  
HETATM   20  H   UNL     1       4.639   0.929  -0.327  1.00  0.00           H  
HETATM   21  H   UNL     1       3.620   3.090  -0.864  1.00  0.00           H  
HETATM   22  H   UNL     1       0.781  -0.762   0.293  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.605   1.036   1.658  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.044  -0.745  -1.270  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.778  -1.209   0.062  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.135   2.641   2.197  1.00  0.00           H  
CONECT    1    2    4    4   10                                       
CONECT    2    3    3    1   20                                       
CONECT    3    6    2    2   21                                       
CONECT    4    5    1    1   22                                       
CONECT    5    6    9    4                                            
CONECT    6    7    7    3    5                                       
CONECT    7    8    6    6                                            
CONECT    8    7    9    9                                            
CONECT    9    8    8   11    5                                       
CONECT   10    1                                                      
CONECT   11   12    9   16   16                                       
CONECT   12   18   13   13   11                                       
CONECT   13   12   12   14   23                                       
CONECT   14   13   17   15   15                                       
CONECT   15   14   14   16   19                                       
CONECT   16   11   11   15   24                                       
CONECT   17   14   25                                                 
CONECT   18   12   26                                                 
CONECT   19   15                                                      
CONECT   20    2                                                      
CONECT   21    3                                                      
CONECT   22    4                                                      
CONECT   23   13                                                      
CONECT   24   16                                                      
CONECT   25   17                                                      
CONECT   26   18                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
