COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       5.707   1.117  -1.853  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.614   3.313   0.984  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.685   3.596   0.155  1.00  0.00           C  
HETATM    4  C   UNL     1       3.690  -0.181  -2.359  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.105   2.028   1.036  1.00  0.00           C  
HETATM    6  C   UNL     1       2.633  -0.963  -1.940  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.250   2.602  -0.616  1.00  0.00           C  
HETATM    8  C   UNL     1       3.372  -0.768   0.336  1.00  0.00           C  
HETATM    9  C   UNL     1       4.604   0.310  -1.424  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.663   1.033   0.265  1.00  0.00           C  
HETATM   11  C   UNL     1       2.474  -1.256  -0.597  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.747   1.304  -0.565  1.00  0.00           C  
HETATM   13  C   UNL     1       4.438   0.011  -0.069  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.371  -0.913  -0.920  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.949  -1.857   0.562  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.927  -0.648  -0.413  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.475  -1.193   1.407  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.171  -1.036   0.885  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.364  -0.428   0.086  1.00  0.00           C  
HETATM   20  C   UNL     1       1.313  -2.105  -0.147  1.00  0.00           C  
HETATM   21  N   UNL     1       6.582   1.757  -2.193  1.00  0.00           N  
HETATM   22  N   UNL     1      -6.135   0.147  -1.245  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.166  -1.850   1.631  1.00  0.00           N  
HETATM   24  O   UNL     1      -5.476  -2.041  -1.354  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.980  -3.059   0.678  1.00  0.00           O  
HETATM   26  O   UNL     1       0.175  -1.252   0.146  1.00  0.00           O  
HETATM   27 BR   UNL     1       5.664   0.678   1.206  1.00  0.00          Br  
HETATM   28  H   UNL     1      -4.174   4.095   1.586  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.080   4.600   0.112  1.00  0.00           H  
HETATM   30  H   UNL     1       3.813   0.046  -3.407  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.269   1.804   1.683  1.00  0.00           H  
HETATM   32  H   UNL     1       1.928  -1.347  -2.662  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.086   2.831  -1.260  1.00  0.00           H  
HETATM   34  H   UNL     1       3.241  -1.000   1.382  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.521   0.271  -0.837  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.891  -1.457  -1.142  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.689  -0.501   2.222  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.263  -1.943   1.339  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.897  -0.146   1.451  1.00  0.00           H  
HETATM   40  H   UNL     1       1.048  -2.806  -0.938  1.00  0.00           H  
HETATM   41  H   UNL     1       1.593  -2.657   0.750  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.872   0.112  -1.875  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.178  -2.802   1.297  1.00  0.00           H  
CONECT    1    9   21   21   21                                       
CONECT    2    5    5    3   28                                       
CONECT    3    2    7    7   29                                       
CONECT    4    9    9    6   30                                       
CONECT    5    2    2   10   31                                       
CONECT    6   11   11    4   32                                       
CONECT    7    3    3   12   33                                       
CONECT    8   13   13   11   34                                       
CONECT    9   13    1    4    4                                       
CONECT   10    5   19   12   12                                       
CONECT   11    8   20    6    6                                       
CONECT   12   10   10    7   22                                       
CONECT   13   27    8    8    9                                       
CONECT   14   19   22   24   24                                       
CONECT   15   18   25   25   26                                       
CONECT   16   18   19   35   36                                       
CONECT   17   23   19   37   38                                       
CONECT   18   23   16   15   39                                       
CONECT   19   17   16   10   14                                       
CONECT   20   26   11   40   41                                       
CONECT   21    1    1    1                                            
CONECT   22   12   14   42                                            
CONECT   23   18   17   43                                            
CONECT   24   14   14                                                 
CONECT   25   15   15                                                 
CONECT   26   15   20                                                 
CONECT   27   13                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
