COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.362   0.399   0.185  1.00  0.00           C  
HETATM    2  C   UNL     1       3.634   0.903  -0.008  1.00  0.00           C  
HETATM    3 BR   UNL     1       5.144  -0.156   0.407  1.00  0.00          Br  
HETATM    4  C   UNL     1       3.804   2.183  -0.507  1.00  0.00           C  
HETATM    5  C   UNL     1       2.702   2.961  -0.812  1.00  0.00           C  
HETATM    6  C   UNL     1       1.428   2.462  -0.620  1.00  0.00           C  
HETATM    7  C   UNL     1       1.254   1.176  -0.125  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.034   0.669   0.070  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.289  -0.670  -0.149  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.604  -1.185  -0.048  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.697  -0.374   0.274  1.00  0.00           C  
HETATM   12  N   UNL     1       0.690  -1.507  -0.464  1.00  0.00           N  
HETATM   13  C   UNL     1       0.458  -2.793  -0.677  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.737  -3.326  -0.592  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.801  -2.568  -0.284  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.091  -3.108  -0.191  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.141  -2.300   0.125  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.954  -0.934   0.357  1.00  0.00           C  
HETATM   19  N   UNL     1      -5.053  -0.129   0.680  1.00  0.00           N  
HETATM   20  C   UNL     1      -5.108   1.143   0.239  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.172   1.615  -0.371  1.00  0.00           O  
HETATM   22  C   UNL     1      -6.333   1.980   0.505  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.138   3.374  -0.097  1.00  0.00           C  
HETATM   24  H   UNL     1       2.230  -0.600   0.574  1.00  0.00           H  
HETATM   25  H   UNL     1       4.799   2.575  -0.658  1.00  0.00           H  
HETATM   26  H   UNL     1       2.837   3.961  -1.197  1.00  0.00           H  
HETATM   27  H   UNL     1       0.568   3.071  -0.859  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.748   1.258   0.359  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.557   0.682   0.457  1.00  0.00           H  
HETATM   30  H   UNL     1       1.291  -3.431  -0.931  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.252  -4.161  -0.370  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.134  -2.721   0.196  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.775  -0.487   1.220  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.202   1.506   0.050  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.487   2.067   1.580  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.269   3.848   0.358  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.984   3.287  -1.172  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.024   3.979   0.095  1.00  0.00           H  
CONECT    1    7    7    2   24                                       
CONECT    2    4    4    1    3                                       
CONECT    3    2                                                      
CONECT    4    5    2    2   25                                       
CONECT    5    6    6    4   26                                       
CONECT    6    5    5    7   27                                       
CONECT    7    6    8    1    1                                       
CONECT    8    7    9   28                                            
CONECT    9    8   10   10   12                                       
CONECT   10   11    9    9   15                                       
CONECT   11   18   18   10   29                                       
CONECT   12    9   13   13                                            
CONECT   13   12   12   14   30                                       
CONECT   14   15   15   13                                            
CONECT   15   10   16   14   14                                       
CONECT   16   17   17   15   31                                       
CONECT   17   18   16   16   32                                       
CONECT   18   19   11   11   17                                       
CONECT   19   20   18   33                                            
CONECT   20   22   21   21   19                                       
CONECT   21   20   20                                                 
CONECT   22   23   20   34   35                                       
CONECT   23   22   36   37   38                                       
CONECT   24    1                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    8                                                      
CONECT   29   11                                                      
CONECT   30   13                                                      
CONECT   31   16                                                      
CONECT   32   17                                                      
CONECT   33   19                                                      
CONECT   34   22                                                      
CONECT   35   22                                                      
CONECT   36   23                                                      
CONECT   37   23                                                      
CONECT   38   23                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
