COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1       3.894  -2.504   0.031  1.00  0.00           O  
HETATM    2  C   UNL     1       4.124  -1.323  -0.081  1.00  0.00           C  
HETATM    3  OXT UNL     1       5.369  -0.861   0.117  1.00  0.00           O  
HETATM    4  CA  UNL     1       3.017  -0.370  -0.449  1.00  0.00           C  
HETATM    5  N   UNL     1       1.915  -1.117  -1.071  1.00  0.00           N  
HETATM    6  C   UNL     1       2.508   0.332   0.812  1.00  0.00           C  
HETATM    7  C   UNL     1       1.487   1.372   0.431  1.00  0.00           C  
HETATM    8  C   UNL     1       0.056   1.150   0.213  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.772   0.027   0.274  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.107   0.152   0.008  1.00  0.00           C  
HETATM   11 BR   UNL     1      -3.227  -1.369   0.091  1.00  0.00          Br  
HETATM   12  C   UNL     1      -2.647   1.389  -0.322  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.848   2.509  -0.388  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.486   2.404  -0.121  1.00  0.00           C  
HETATM   15  N   UNL     1       0.549   3.312  -0.103  1.00  0.00           N  
HETATM   16  C   UNL     1       1.716   2.680   0.232  1.00  0.00           C  
HETATM   17  HXT UNL     1       6.047  -1.511   0.347  1.00  0.00           H  
HETATM   18  HA  UNL     1       3.395   0.373  -1.151  1.00  0.00           H  
HETATM   19  H1  UNL     1       1.547  -1.812  -0.440  1.00  0.00           H  
HETATM   20  H2  UNL     1       1.187  -0.492  -1.385  1.00  0.00           H  
HETATM   21  H   UNL     1       2.050  -0.401   1.476  1.00  0.00           H  
HETATM   22  H   UNL     1       3.343   0.812   1.322  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.359  -0.938   0.529  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.703   1.473  -0.530  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.277   3.466  -0.645  1.00  0.00           H  
HETATM   26  H   UNL     1       0.463   4.259  -0.296  1.00  0.00           H  
HETATM   27  H   UNL     1       2.679   3.161   0.318  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   17                                                 
CONECT    4    6    5    2   18                                       
CONECT    5    4   19   20                                            
CONECT    6    7    4   21   22                                       
CONECT    7    8   16   16    6                                       
CONECT    8   14   14    9    7                                       
CONECT    9   10   10    8   23                                       
CONECT   10   12   11    9    9                                       
CONECT   11   10                                                      
CONECT   12   13   13   10   24                                       
CONECT   13   12   12   14   25                                       
CONECT   14   13   15    8    8                                       
CONECT   15   14   16   26                                            
CONECT   16   15    7    7   27                                       
CONECT   17    3                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    5                                                      
CONECT   21    6                                                      
CONECT   22    6                                                      
CONECT   23    9                                                      
CONECT   24   12                                                      
CONECT   25   13                                                      
CONECT   26   15                                                      
CONECT   27   16                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
