COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.097   3.150  -0.856  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.234   2.001  -0.572  1.00  0.00           N  
HETATM    3  N   UNL     1      -0.839   1.970  -0.694  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.424   0.769  -0.350  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.553   0.004   0.000  1.00  0.00           C  
HETATM    6 BR   UNL     1      -1.543  -1.798   0.574  1.00  0.00          Br  
HETATM    7  C   UNL     1      -2.645   0.788  -0.141  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.071   0.379   0.126  1.00  0.00           C  
HETATM    9  F   UNL     1      -4.633  -0.142  -1.045  1.00  0.00           F  
HETATM   10  F   UNL     1      -4.096  -0.596   1.129  1.00  0.00           F  
HETATM   11  F   UNL     1      -4.806   1.494   0.540  1.00  0.00           F  
HETATM   12  C   UNL     1       0.985   0.304  -0.335  1.00  0.00           C  
HETATM   13  C   UNL     1       1.992   1.148   0.115  1.00  0.00           C  
HETATM   14  C   UNL     1       3.315   0.705   0.127  1.00  0.00           C  
HETATM   15  C   UNL     1       4.389   1.596   0.605  1.00  0.00           C  
HETATM   16  O   UNL     1       4.094   2.840   1.030  1.00  0.00           O  
HETATM   17  O   UNL     1       5.541   1.208   0.614  1.00  0.00           O  
HETATM   18  C   UNL     1       3.620  -0.587  -0.314  1.00  0.00           C  
HETATM   19 CL   UNL     1       5.265  -1.143  -0.300  1.00  0.00          Cl  
HETATM   20  C   UNL     1       2.614  -1.422  -0.760  1.00  0.00           C  
HETATM   21  C   UNL     1       1.300  -0.987  -0.768  1.00  0.00           C  
HETATM   22  F   UNL     1       0.321  -1.809  -1.206  1.00  0.00           F  
HETATM   23  H   UNL     1      -3.403   3.125  -1.902  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.979   3.108  -0.218  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.550   4.072  -0.660  1.00  0.00           H  
HETATM   26  H   UNL     1       1.752   2.145   0.455  1.00  0.00           H  
HETATM   27  H   UNL     1       4.798   3.424   1.342  1.00  0.00           H  
HETATM   28  H   UNL     1       2.854  -2.418  -1.100  1.00  0.00           H  
CONECT    1    2   23   24   25                                       
CONECT    2    1    3    7                                            
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   12                                       
CONECT    5    4    6    7    7                                       
CONECT    6    5                                                      
CONECT    7    2    5    5    8                                       
CONECT    8    7    9   10   11                                       
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    8                                                      
CONECT   12    4   13   13   21                                       
CONECT   13   12   12   14   26                                       
CONECT   14   13   15   18   18                                       
CONECT   15   14   16   17   17                                       
CONECT   16   15   27                                                 
CONECT   17   15   15                                                 
CONECT   18   14   14   19   20                                       
CONECT   19   18                                                      
CONECT   20   18   21   21   28                                       
CONECT   21   12   20   20   22                                       
CONECT   22   21                                                      
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26   13                                                      
CONECT   27   16                                                      
CONECT   28   20                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
