COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  CA  UNL     1      -4.615  -0.996  -0.101  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.967   0.807  -0.985  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.639  -1.980   0.401  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.300  -1.199   0.655  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.241  -0.300   0.069  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.344  -0.632  -0.872  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.999   1.102   0.416  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.594   1.999   1.306  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.918   1.519  -0.381  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.123   3.278   1.398  1.00  0.00           C  
HETATM   11  C   UNL     1       0.548   0.446  -2.131  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.454   2.826  -0.271  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.056   3.694   0.613  1.00  0.00           C  
HETATM   14  C   UNL     1       1.850   0.155  -1.431  1.00  0.00           C  
HETATM   15  C   UNL     1       2.285  -1.151  -1.297  1.00  0.00           C  
HETATM   16  C   UNL     1       3.480  -1.419  -0.656  1.00  0.00           C  
HETATM   17  C   UNL     1       4.241  -0.381  -0.149  1.00  0.00           C  
HETATM   18  C   UNL     1       3.805   0.925  -0.284  1.00  0.00           C  
HETATM   19  C   UNL     1       2.613   1.193  -0.930  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.101   0.372   0.119  1.00  0.00           N  
HETATM   21  N   UNL     1      -0.543   0.442  -1.153  1.00  0.00           N  
HETATM   22  O   UNL     1      -6.669  -1.583   0.892  1.00  0.00           O  
HETATM   23 BR   UNL     1       5.875  -0.747   0.729  1.00  0.00          Br  
HETATM   24  HA  UNL     1      -4.449  -1.156  -1.167  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.406   0.782  -1.919  1.00  0.00           H  
HETATM   26  H   UNL     1      -6.825   0.139  -1.058  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.313   1.824  -0.796  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.444  -0.953   1.707  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.985  -2.238   0.564  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.265  -1.602  -1.339  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.425   1.682   1.920  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.584   3.970   2.087  1.00  0.00           H  
HETATM   33  H   UNL     1       0.603   1.424  -2.609  1.00  0.00           H  
HETATM   34  H   UNL     1       0.361  -0.317  -2.886  1.00  0.00           H  
HETATM   35  H   UNL     1       0.375   3.160  -0.877  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.695   4.708   0.697  1.00  0.00           H  
HETATM   37  H   UNL     1       1.691  -1.961  -1.692  1.00  0.00           H  
HETATM   38  H   UNL     1       3.819  -2.438  -0.550  1.00  0.00           H  
HETATM   39  H   UNL     1       4.399   1.736   0.112  1.00  0.00           H  
HETATM   40  H   UNL     1       2.273   2.213  -1.035  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.578   0.448   1.005  1.00  0.00           H  
HETATM   42  OXT UNL     1      -5.408  -3.299   0.303  1.00  0.00           O  
HETATM   43  HXT UNL     1      -6.095  -3.891   0.638  1.00  0.00           H  
CONECT    1    4    3   20   24                                       
CONECT    2   20   25   26   27                                       
CONECT    3    1   22   22   42                                       
CONECT    4    5    1   28   29                                       
CONECT    5    6    6    4    7                                       
CONECT    6   21    5    5   30                                       
CONECT    7    5    9    9    8                                       
CONECT    8    7   10   10   31                                       
CONECT    9   21   12    7    7                                       
CONECT   10   13    8    8   32                                       
CONECT   11   14   21   33   34                                       
CONECT   12    9   13   13   35                                       
CONECT   13   12   12   10   36                                       
CONECT   14   19   19   15   11                                       
CONECT   15   16   16   14   37                                       
CONECT   16   17   15   15   38                                       
CONECT   17   23   18   18   16                                       
CONECT   18   17   17   19   39                                       
CONECT   19   18   14   14   40                                       
CONECT   20    1    2   41                                            
CONECT   21   11    6    9                                            
CONECT   22    3    3                                                 
CONECT   23   17                                                      
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42    3   43                                                 
CONECT   43   42                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
