COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.827  -0.278   1.847  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.026  -0.557  -0.944  1.00  0.00           C  
HETATM    3  C   UNL     1       1.074   0.397  -1.185  1.00  0.00           C  
HETATM    4  N   UNL     1      -7.056   1.687   1.071  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.399   2.794   0.370  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.218  -0.096  -0.641  1.00  0.00           N  
HETATM    7  N   UNL     1       0.220  -1.896  -1.048  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.252  -0.923  -0.418  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.568  -3.983  -0.927  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.775  -2.785  -0.837  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.068  -2.294  -0.508  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.099  -3.148  -0.286  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.583  -0.372  -0.077  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.787   0.960  -0.099  1.00  0.00           N  
HETATM   15  C   UNL     1      -5.019   1.489   0.323  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.155   0.787   0.800  1.00  0.00           C  
HETATM   17  O   UNL     1      -6.657   2.804   0.839  1.00  0.00           O  
HETATM   18  O   UNL     1      -4.492  -1.121   0.222  1.00  0.00           O  
HETATM   19  C   UNL     1       1.564  -2.369  -1.389  1.00  0.00           C  
HETATM   20  C   UNL     1       0.956   1.367  -2.184  1.00  0.00           C  
HETATM   21  C   UNL     1       1.987   2.256  -2.404  1.00  0.00           C  
HETATM   22  C   UNL     1       3.140   2.191  -1.640  1.00  0.00           C  
HETATM   23  C   UNL     1       3.270   1.237  -0.649  1.00  0.00           C  
HETATM   24 BR   UNL     1       4.850   1.159   0.387  1.00  0.00          Br  
HETATM   25  C   UNL     1       2.240   0.339  -0.410  1.00  0.00           C  
HETATM   26  O   UNL     1       2.365  -0.599   0.562  1.00  0.00           O  
HETATM   27  C   UNL     1       2.168  -1.394   2.836  1.00  0.00           C  
HETATM   28  O   UNL     1       3.583  -1.447   3.026  1.00  0.00           O  
HETATM   29  H   UNL     1       2.256   0.661   2.196  1.00  0.00           H  
HETATM   30  H   UNL     1       0.744  -0.177   1.772  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.807   3.651   0.086  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.862  -4.082  -0.375  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.084   1.554  -0.405  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.254  -0.282   0.915  1.00  0.00           H  
HETATM   35  H   UNL     1       2.151  -2.483  -0.477  1.00  0.00           H  
HETATM   36  H   UNL     1       1.492  -3.330  -1.898  1.00  0.00           H  
HETATM   37  H   UNL     1       2.048  -1.646  -2.045  1.00  0.00           H  
HETATM   38  H   UNL     1       0.059   1.421  -2.782  1.00  0.00           H  
HETATM   39  H   UNL     1       1.895   3.005  -3.176  1.00  0.00           H  
HETATM   40  H   UNL     1       3.945   2.888  -1.822  1.00  0.00           H  
HETATM   41  H   UNL     1       1.681  -1.194   3.791  1.00  0.00           H  
HETATM   42  H   UNL     1       1.818  -2.348   2.442  1.00  0.00           H  
HETATM   43  H   UNL     1       3.872  -2.134   3.642  1.00  0.00           H  
CONECT    1   26   27   29   30                                       
CONECT    2    3    6    6    7                                       
CONECT    3   25   25   20    2                                       
CONECT    4   17   16   16                                            
CONECT    5   17   15   15   31                                       
CONECT    6    2    2    8                                            
CONECT    7    2   19   10                                            
CONECT    8    6   13   11   11                                       
CONECT    9   10   10                                                 
CONECT   10    7   11    9    9                                       
CONECT   11    8    8   10   12                                       
CONECT   12   11   32                                                 
CONECT   13   14    8   18   18                                       
CONECT   14   15   13   33                                            
CONECT   15    5    5   14   16                                       
CONECT   16   15    4    4   34                                       
CONECT   17    5    4                                                 
CONECT   18   13   13                                                 
CONECT   19    7   35   36   37                                       
CONECT   20   21   21    3   38                                       
CONECT   21   22   20   20   39                                       
CONECT   22   23   23   21   40                                       
CONECT   23   24   22   22   25                                       
CONECT   24   23                                                      
CONECT   25   23   26    3    3                                       
CONECT   26   25    1                                                 
CONECT   27    1   28   41   42                                       
CONECT   28   27   43                                                 
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    5                                                      
CONECT   32   12                                                      
CONECT   33   14                                                      
CONECT   34   16                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   27                                                      
CONECT   42   27                                                      
CONECT   43   28                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
