COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.926   2.497  -0.404  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.190   0.479  -0.074  1.00  0.00           C  
HETATM    3  C   UNL     1       4.881  -0.136   0.252  1.00  0.00           C  
HETATM    4  O   UNL     1       5.427   0.939   0.173  1.00  0.00           O  
HETATM    5  CA  UNL     1       3.395  -0.209   0.492  1.00  0.00           C  
HETATM    6  C   UNL     1       2.676  -0.472  -0.833  1.00  0.00           C  
HETATM    7  C   UNL     1       1.204  -0.668  -0.576  1.00  0.00           C  
HETATM    8  C   UNL     1       0.572  -1.840  -0.410  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.029  -0.273  -0.228  1.00  0.00           C  
HETATM   10  C   UNL     1       0.192   0.385  -0.461  1.00  0.00           C  
HETATM   11  C   UNL     1       0.226   1.778  -0.553  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.132   1.853  -0.163  1.00  0.00           C  
HETATM   13  N   UNL     1       2.927   1.062   1.060  1.00  0.00           N  
HETATM   14  N   UNL     1      -0.762  -1.624  -0.196  1.00  0.00           N  
HETATM   15  OXT UNL     1       5.597  -1.264   0.125  1.00  0.00           O  
HETATM   16 BR   UNL     1      -3.841  -0.383   0.254  1.00  0.00          Br  
HETATM   17  H   UNL     1      -0.898   3.574  -0.470  1.00  0.00           H  
HETATM   18  HA  UNL     1       3.180  -1.019   1.189  1.00  0.00           H  
HETATM   19  H   UNL     1       2.819   0.380  -1.498  1.00  0.00           H  
HETATM   20  H   UNL     1       3.086  -1.368  -1.297  1.00  0.00           H  
HETATM   21  H   UNL     1       1.046  -2.810  -0.441  1.00  0.00           H  
HETATM   22  H   UNL     1       1.161   2.286  -0.740  1.00  0.00           H  
HETATM   23  H   UNL     1      -3.034   2.435  -0.044  1.00  0.00           H  
HETATM   24  H1  UNL     1       3.116   1.829   0.432  1.00  0.00           H  
HETATM   25  H2  UNL     1       1.946   1.016   1.290  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.423  -2.319  -0.049  1.00  0.00           H  
HETATM   27  HXT UNL     1       6.547  -1.166  -0.028  1.00  0.00           H  
CONECT    1   11   11   12   17                                       
CONECT    2   12   12    9   16                                       
CONECT    3    5    4    4   15                                       
CONECT    4    3    3                                                 
CONECT    5    6   13    3   18                                       
CONECT    6    5    7   19   20                                       
CONECT    7    6   10    8    8                                       
CONECT    8    7    7   14   21                                       
CONECT    9   10   10    2   14                                       
CONECT   10   11    7    9    9                                       
CONECT   11    1    1   10   22                                       
CONECT   12    1    2    2   23                                       
CONECT   13    5   24   25                                            
CONECT   14    9    8   26                                            
CONECT   15    3   27                                                 
CONECT   16    2                                                      
CONECT   17    1                                                      
CONECT   18    5                                                      
CONECT   19    6                                                      
CONECT   20    6                                                      
CONECT   21    8                                                      
CONECT   22   11                                                      
CONECT   23   12                                                      
CONECT   24   13                                                      
CONECT   25   13                                                      
CONECT   26   14                                                      
CONECT   27   15                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
