COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.643   0.955  -0.032  1.00  0.00           C  
HETATM    2  C   UNL     1       0.692   0.345  -0.006  1.00  0.00           C  
HETATM    3  C   UNL     1       1.991   1.058  -0.020  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.213   0.151  -0.035  1.00  0.00           N  
HETATM    5  C   UNL     1       2.856   0.915  -1.104  1.00  0.00           C  
HETATM    6  C   UNL     1       4.064   1.582  -1.111  1.00  0.00           C  
HETATM    7  C   UNL     1       4.417   2.391  -0.046  1.00  0.00           C  
HETATM    8  C   UNL     1       3.563   2.537   1.032  1.00  0.00           C  
HETATM    9  C   UNL     1       2.350   1.879   1.048  1.00  0.00           C  
HETATM   10  C   UNL     1       0.506  -1.002   0.034  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.565  -0.125  -0.004  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.923   0.147  -0.021  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.155  -0.680  -0.003  1.00  0.00           C  
HETATM   14 BR   UNL     1       1.890  -2.289   0.082  1.00  0.00          Br  
HETATM   15  N   UNL     1      -0.830  -1.287   0.036  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.101   2.268  -0.080  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.459   2.531  -0.101  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.374   1.482  -0.065  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.201  -1.894   0.035  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.843   1.404  -0.073  1.00  0.00           C  
HETATM   21  H   UNL     1       2.581   0.283  -1.936  1.00  0.00           H  
HETATM   22  H   UNL     1       4.735   1.472  -1.950  1.00  0.00           H  
HETATM   23  H   UNL     1       5.364   2.911  -0.056  1.00  0.00           H  
HETATM   24  H   UNL     1       3.844   3.170   1.861  1.00  0.00           H  
HETATM   25  H   UNL     1       1.684   1.993   1.891  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.206  -2.181   0.060  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.394   3.084  -0.101  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.810   3.551  -0.138  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.513   2.250  -0.112  1.00  0.00           H  
CONECT    1    2   16   16   11                                       
CONECT    2    3   10   10    1                                       
CONECT    3    5    5    9    2                                       
CONECT    4   20   20   13                                            
CONECT    5    6    3    3   21                                       
CONECT    6    7    7    5   22                                       
CONECT    7    6    6    8   23                                       
CONECT    8    7    9    9   24                                       
CONECT    9    8    8    3   25                                       
CONECT   10   14    2    2   15                                       
CONECT   11    1   15   12   12                                       
CONECT   12   11   11   18   13                                       
CONECT   13   12   19   19    4                                       
CONECT   14   10                                                      
CONECT   15   10   11   26                                            
CONECT   16    1    1   17   27                                       
CONECT   17   16   18   18   28                                       
CONECT   18   17   17   12   20                                       
CONECT   19   13   13                                                 
CONECT   20   18    4    4   29                                       
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    8                                                      
CONECT   25    9                                                      
CONECT   26   15                                                      
CONECT   27   16                                                      
CONECT   28   17                                                      
CONECT   29   20                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
