COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.914   1.286   3.838  1.00  0.00           N  
HETATM    2  CA  UNL     1      -0.261   0.455   3.543  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.993   0.148   4.824  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.383   0.071   5.864  1.00  0.00           O  
HETATM    5  OXT UNL     1      -2.321  -0.040   4.809  1.00  0.00           O  
HETATM    6  C   UNL     1       0.189  -0.850   2.886  1.00  0.00           C  
HETATM    7  C   UNL     1       0.921  -0.543   1.605  1.00  0.00           C  
HETATM    8  C   UNL     1       2.239  -0.333   1.470  1.00  0.00           C  
HETATM    9  N   UNL     1       2.540  -0.082   0.159  1.00  0.00           N  
HETATM   10  C   UNL     1       1.392  -0.126  -0.600  1.00  0.00           C  
HETATM   11  C   UNL     1       0.329  -0.423   0.271  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.971  -0.524  -0.225  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.203  -0.347  -1.560  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.156  -0.059  -2.426  1.00  0.00           C  
HETATM   15 BR   UNL     1      -0.504   0.180  -4.269  1.00  0.00          Br  
HETATM   16  C   UNL     1       1.134   0.050  -1.955  1.00  0.00           C  
HETATM   17  H1  UNL     1       1.497   0.751   4.465  1.00  0.00           H  
HETATM   18  H2  UNL     1       1.427   1.379   2.974  1.00  0.00           H  
HETATM   19  HA  UNL     1      -0.924   0.992   2.865  1.00  0.00           H  
HETATM   20  HXT UNL     1      -2.791  -0.237   5.631  1.00  0.00           H  
HETATM   21  H   UNL     1       0.852  -1.388   3.564  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.682  -1.467   2.667  1.00  0.00           H  
HETATM   23  H   UNL     1       2.957  -0.357   2.277  1.00  0.00           H  
HETATM   24  H   UNL     1       3.429   0.099  -0.184  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.790  -0.746   0.441  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.209  -0.430  -1.945  1.00  0.00           H  
HETATM   27  H   UNL     1       1.942   0.274  -2.636  1.00  0.00           H  
CONECT    1    2   17   18                                            
CONECT    2    1    3    6   19                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3   20                                                 
CONECT    6    2    7   21   22                                       
CONECT    7    6    8    8   11                                       
CONECT    8    7    7    9   23                                       
CONECT    9    8   10   24                                            
CONECT   10    9   11   11   16                                       
CONECT   11    7   10   10   12                                       
CONECT   12   11   13   13   25                                       
CONECT   13   12   12   14   26                                       
CONECT   14   13   15   16   16                                       
CONECT   15   14                                                      
CONECT   16   10   14   14   27                                       
CONECT   17    1                                                      
CONECT   18    1                                                      
CONECT   19    2                                                      
CONECT   20    5                                                      
CONECT   21    6                                                      
CONECT   22    6                                                      
CONECT   23    8                                                      
CONECT   24    9                                                      
CONECT   25   12                                                      
CONECT   26   13                                                      
CONECT   27   16                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
