COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.892  -0.793  -0.331  1.00  0.00           C  
HETATM    2  C   UNL     1       2.752   0.292  -0.093  1.00  0.00           C  
HETATM    3  C   UNL     1       4.137   0.076  -0.198  1.00  0.00           C  
HETATM    4  C   UNL     1       0.721   1.011   0.161  1.00  0.00           C  
HETATM    5  N   UNL     1       4.566  -1.140  -0.517  1.00  0.00           N  
HETATM    6  N   UNL     1       2.413  -1.973  -0.649  1.00  0.00           N  
HETATM    7  O2* UNL     1      -0.769  -2.455   1.717  1.00  0.00           O  
HETATM    8  C2* UNL     1      -1.294  -1.291   1.074  1.00  0.00           C  
HETATM    9  C3* UNL     1      -2.778  -1.496   0.686  1.00  0.00           C  
HETATM   10  O3* UNL     1      -3.093  -2.889   0.630  1.00  0.00           O  
HETATM   11  C4* UNL     1      -2.894  -0.861  -0.713  1.00  0.00           C  
HETATM   12  C5* UNL     1      -3.947   0.249  -0.695  1.00  0.00           C  
HETATM   13  O5* UNL     1      -4.131   0.753  -2.020  1.00  0.00           O  
HETATM   14  O4* UNL     1      -1.607  -0.311  -1.041  1.00  0.00           O  
HETATM   15  C1* UNL     1      -0.624  -1.073  -0.307  1.00  0.00           C  
HETATM   16  N   UNL     1       0.618  -0.310  -0.163  1.00  0.00           N  
HETATM   17 BR   UNL     1      -0.740   2.162   0.502  1.00  0.00          Br  
HETATM   18  N   UNL     1       1.974   1.362   0.202  1.00  0.00           N  
HETATM   19  C   UNL     1       3.718  -2.130  -0.732  1.00  0.00           C  
HETATM   20  N   UNL     1       5.033   1.107   0.024  1.00  0.00           N  
HETATM   21  H2* UNL     1      -1.218  -2.684   2.542  1.00  0.00           H  
HETATM   22  H2* UNL     1      -1.175  -0.412   1.707  1.00  0.00           H  
HETATM   23  H3* UNL     1      -3.432  -0.986   1.394  1.00  0.00           H  
HETATM   24  H3* UNL     1      -4.011  -3.075   0.391  1.00  0.00           H  
HETATM   25  H4* UNL     1      -3.170  -1.621  -1.444  1.00  0.00           H  
HETATM   26 H5*1 UNL     1      -4.891  -0.152  -0.324  1.00  0.00           H  
HETATM   27 H5*2 UNL     1      -3.614   1.056  -0.042  1.00  0.00           H  
HETATM   28  H5* UNL     1      -4.787   1.461  -2.083  1.00  0.00           H  
HETATM   29  H1* UNL     1      -0.435  -2.028  -0.797  1.00  0.00           H  
HETATM   30  H   UNL     1       4.109  -3.103  -0.988  1.00  0.00           H  
HETATM   31  H   UNL     1       4.708   1.991   0.256  1.00  0.00           H  
HETATM   32  H   UNL     1       5.986   0.946  -0.051  1.00  0.00           H  
CONECT    1    2    2    6   16                                       
CONECT    2    3   18    1    1                                       
CONECT    3   20    5    5    2                                       
CONECT    4   18   18   16   17                                       
CONECT    5    3    3   19                                            
CONECT    6   19   19    1                                            
CONECT    7    8   21                                                 
CONECT    8   15    9    7   22                                       
CONECT    9   11    8   10   23                                       
CONECT   10    9   24                                                 
CONECT   11   14   12    9   25                                       
CONECT   12   13   11   26   27                                       
CONECT   13   12   28                                                 
CONECT   14   15   11                                                 
CONECT   15   16   14    8   29                                       
CONECT   16    1    4   15                                            
CONECT   17    4                                                      
CONECT   18    2    4    4                                            
CONECT   19    5    6    6   30                                       
CONECT   20    3   31   32                                            
CONECT   21    7                                                      
CONECT   22    8                                                      
CONECT   23    9                                                      
CONECT   24   10                                                      
CONECT   25   11                                                      
CONECT   26   12                                                      
CONECT   27   12                                                      
CONECT   28   13                                                      
CONECT   29   15                                                      
CONECT   30   19                                                      
CONECT   31   20                                                      
CONECT   32   20                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
