COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.793   1.451   0.825  1.00  0.00           N  
HETATM    2  CA  UNL     1      -3.058   0.060   0.434  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.537  -0.126   0.211  1.00  0.00           C  
HETATM    4  O   UNL     1      -5.242   0.833   0.002  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.303  -0.260  -0.858  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.819  -0.193  -0.602  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.142   1.001  -0.768  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.137  -1.324  -0.195  1.00  0.00           C  
HETATM    9  C   UNL     1       1.218   1.063  -0.533  1.00  0.00           C  
HETATM   10  C   UNL     1       1.224  -1.263   0.041  1.00  0.00           C  
HETATM   11  C   UNL     1       1.903  -0.070  -0.131  1.00  0.00           C  
HETATM   12 BR   UNL     1       3.764   0.014   0.190  1.00  0.00          Br  
HETATM   13  OXT UNL     1      -5.070  -1.357   0.243  1.00  0.00           O  
HETATM   14  H1  UNL     1      -1.817   1.586   1.043  1.00  0.00           H  
HETATM   15  H2  UNL     1      -3.095   2.092   0.106  1.00  0.00           H  
HETATM   16  HA  UNL     1      -2.723  -0.609   1.226  1.00  0.00           H  
HETATM   17  H   UNL     1      -2.569  -1.261  -1.195  1.00  0.00           H  
HETATM   18  H   UNL     1      -2.572   0.466  -1.625  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.677   1.885  -1.082  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.666  -2.256  -0.062  1.00  0.00           H  
HETATM   21  H   UNL     1       1.747   1.995  -0.663  1.00  0.00           H  
HETATM   22  H   UNL     1       1.757  -2.147   0.359  1.00  0.00           H  
HETATM   23  HXT UNL     1      -6.023  -1.426   0.094  1.00  0.00           H  
CONECT    1    2   14   15                                            
CONECT    2    3    1    5   16                                       
CONECT    3    4    4    2   13                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   17   18                                       
CONECT    6    5    8    8    7                                       
CONECT    7    6    9    9   19                                       
CONECT    8    6    6   10   20                                       
CONECT    9    7    7   11   21                                       
CONECT   10    8   11   11   22                                       
CONECT   11   10   10    9   12                                       
CONECT   12   11                                                      
CONECT   13    3   23                                                 
CONECT   14    1                                                      
CONECT   15    1                                                      
CONECT   16    2                                                      
CONECT   17    5                                                      
CONECT   18    5                                                      
CONECT   19    7                                                      
CONECT   20    8                                                      
CONECT   21    9                                                      
CONECT   22   10                                                      
CONECT   23   13                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
