COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.739  55.117  46.892  1.00  0.00           C  
HETATM    2  CA  UNL     1      -8.622  54.764  47.579  1.00  0.00           C  
HETATM    3  N   UNL     1      -8.465  54.728  49.040  1.00  0.00           N  
HETATM    4  C   UNL     1      -8.178  55.822  49.802  1.00  0.00           C  
HETATM    5  O   UNL     1      -8.057  56.956  49.342  1.00  0.00           O  
HETATM    6  C   UNL     1     -11.038  55.611  47.382  1.00  0.00           C  
HETATM    7  C   UNL     1     -12.167  55.743  46.544  1.00  0.00           C  
HETATM    8  C   UNL     1     -13.432  56.768  48.378  1.00  0.00           C  
HETATM    9  C   UNL     1     -11.145  56.049  48.691  1.00  0.00           C  
HETATM   10  C   UNL     1     -12.306  56.613  49.189  1.00  0.00           C  
HETATM   11  C   UNL     1     -14.812  57.569  50.235  1.00  0.00           C  
HETATM   12  C   UNL     1     -14.571  58.868  50.725  1.00  0.00           C  
HETATM   13  C   UNL     1     -14.809  59.178  52.093  1.00  0.00           C  
HETATM   14  C   UNL     1     -15.333  58.195  52.956  1.00  0.00           C  
HETATM   15  C   UNL     1     -15.620  56.902  52.472  1.00  0.00           C  
HETATM   16  C   UNL     1     -15.348  56.597  51.126  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.450  54.282  46.796  1.00  0.00           C  
HETATM   18  O   UNL     1      -7.497  54.388  45.553  1.00  0.00           O  
HETATM   19  OXT UNL     1      -6.491  53.729  47.378  1.00  0.00           O  
HETATM   20  C   UNL     1      -8.046  55.536  51.227  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.272  56.390  52.039  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.311  56.244  53.437  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.128  55.241  54.021  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.860  54.344  53.208  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.801  54.478  51.809  1.00  0.00           C  
HETATM   26  C   UNL     1     -13.346  56.360  47.040  1.00  0.00           C  
HETATM   27  O   UNL     1     -14.612  57.286  48.873  1.00  0.00           O  
HETATM   28 BR   UNL     1     -14.095  60.210  49.516  1.00  0.00          Br  
HETATM   29  H   UNL     1      -9.571  54.987  45.809  1.00  0.00           H  
HETATM   30  H   UNL     1      -8.564  53.864  49.574  1.00  0.00           H  
HETATM   31  H   UNL     1     -12.128  55.366  45.508  1.00  0.00           H  
HETATM   32  H   UNL     1     -10.274  55.945  49.360  1.00  0.00           H  
HETATM   33  H   UNL     1     -12.334  56.941  50.241  1.00  0.00           H  
HETATM   34  H   UNL     1     -14.586  60.184  52.486  1.00  0.00           H  
HETATM   35  H   UNL     1     -15.519  58.438  54.015  1.00  0.00           H  
HETATM   36  H   UNL     1     -16.052  56.137  53.139  1.00  0.00           H  
HETATM   37  H   UNL     1     -15.558  55.577  50.762  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.749  54.080  45.053  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.638  57.169  51.582  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.704  56.912  54.071  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.194  55.157  55.118  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.472  53.546  53.661  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.343  53.758  51.172  1.00  0.00           H  
HETATM   44  H   UNL     1     -14.209  56.525  46.374  1.00  0.00           H  
CONECT    1    2    2    6   29                                       
CONECT    2    1    1    3   17                                       
CONECT    3    2    4   30                                            
CONECT    4    3    5    5   20                                       
CONECT    5    4    4                                                 
CONECT    6    1    7    7    9                                       
CONECT    7    6    6   26   31                                       
CONECT    8   10   26   26   27                                       
CONECT    9    6   10   10   32                                       
CONECT   10    8    9    9   33                                       
CONECT   11   12   12   16   27                                       
CONECT   12   11   11   13   28                                       
CONECT   13   12   14   14   34                                       
CONECT   14   13   13   15   35                                       
CONECT   15   14   16   16   36                                       
CONECT   16   11   15   15   37                                       
CONECT   17    2   18   19   19                                       
CONECT   18   17   38                                                 
CONECT   19   17   17                                                 
CONECT   20    4   21   21   25                                       
CONECT   21   20   20   22   39                                       
CONECT   22   21   23   23   40                                       
CONECT   23   22   22   24   41                                       
CONECT   24   23   25   25   42                                       
CONECT   25   20   24   24   43                                       
CONECT   26    7    8    8   44                                       
CONECT   27    8   11                                                 
CONECT   28   12                                                      
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   18                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
