COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -8.520  -0.512  -0.556  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.419  -0.695  -0.349  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.030  -0.926  -0.088  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.632  -2.092   0.419  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.355  -2.304   0.659  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.091   0.067  -0.371  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.811  -0.148  -0.130  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.417  -1.308   0.381  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.069  -1.533   0.635  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.153  -0.613   0.274  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.511   0.452  -0.189  1.00  0.00           O  
HETATM   12  N   UNL     1       0.161  -0.874   0.428  1.00  0.00           N  
HETATM   13  C   UNL     1       1.109   0.124   0.164  1.00  0.00           C  
HETATM   14  C   UNL     1       0.753   1.462   0.252  1.00  0.00           C  
HETATM   15  C   UNL     1       1.691   2.445  -0.008  1.00  0.00           C  
HETATM   16 BR   UNL     1       1.203   4.268   0.112  1.00  0.00          Br  
HETATM   17  C   UNL     1       2.984   2.098  -0.355  1.00  0.00           C  
HETATM   18  C   UNL     1       3.347   0.767  -0.444  1.00  0.00           C  
HETATM   19  C   UNL     1       2.414  -0.225  -0.180  1.00  0.00           C  
HETATM   20  N   UNL     1       2.781  -1.573  -0.265  1.00  0.00           N  
HETATM   21  C   UNL     1       3.155  -1.932  -1.639  1.00  0.00           C  
HETATM   22  C   UNL     1       3.409  -3.439  -1.723  1.00  0.00           C  
HETATM   23  C   UNL     1       4.531  -3.818  -0.753  1.00  0.00           C  
HETATM   24  C   UNL     1       3.862  -1.885   0.679  1.00  0.00           C  
HETATM   25  C   UNL     1       4.136  -3.390   0.664  1.00  0.00           C  
HETATM   26  O   UNL     1       5.203  -3.690   1.567  1.00  0.00           O  
HETATM   27  H   UNL     1      -4.032  -3.249   1.070  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.411   1.011  -0.786  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.788  -2.352   1.072  1.00  0.00           H  
HETATM   30  H   UNL     1       0.449  -1.753   0.720  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.256   1.735   0.522  1.00  0.00           H  
HETATM   32  H   UNL     1       3.713   2.869  -0.558  1.00  0.00           H  
HETATM   33  H   UNL     1       4.358   0.500  -0.716  1.00  0.00           H  
HETATM   34  H   UNL     1       2.347  -1.661  -2.318  1.00  0.00           H  
HETATM   35  H   UNL     1       4.061  -1.395  -1.920  1.00  0.00           H  
HETATM   36  H   UNL     1       2.499  -3.976  -1.455  1.00  0.00           H  
HETATM   37  H   UNL     1       3.702  -3.702  -2.739  1.00  0.00           H  
HETATM   38  H   UNL     1       4.685  -4.897  -0.778  1.00  0.00           H  
HETATM   39  H   UNL     1       5.451  -3.310  -1.044  1.00  0.00           H  
HETATM   40  H   UNL     1       4.765  -1.348   0.387  1.00  0.00           H  
HETATM   41  H   UNL     1       3.567  -1.579   1.683  1.00  0.00           H  
HETATM   42  H   UNL     1       3.238  -3.927   0.969  1.00  0.00           H  
HETATM   43  H   UNL     1       5.432  -4.628   1.606  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    3    1    1    1                                       
CONECT    3    4    4    6    2                                       
CONECT    4    5    3    3                                            
CONECT    5    8    8    4   27                                       
CONECT    6    7    7    3   28                                       
CONECT    7    8    6    6                                            
CONECT    8    9    5    5    7                                       
CONECT    9   10    8   29                                            
CONECT   10   11   11    9   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   30                                            
CONECT   13   14   12   19   19                                       
CONECT   14   15   15   13   31                                       
CONECT   15   16   14   14   17                                       
CONECT   16   15                                                      
CONECT   17   15   18   18   32                                       
CONECT   18   17   17   19   33                                       
CONECT   19   13   13   18   20                                       
CONECT   20   19   21   24                                            
CONECT   21   20   22   34   35                                       
CONECT   22   21   23   36   37                                       
CONECT   23   22   25   38   39                                       
CONECT   24   20   25   40   41                                       
CONECT   25   24   23   26   42                                       
CONECT   26   25   43                                                 
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    9                                                      
CONECT   30   12                                                      
CONECT   31   14                                                      
CONECT   32   17                                                      
CONECT   33   18                                                      
CONECT   34   21                                                      
CONECT   35   21                                                      
CONECT   36   22                                                      
CONECT   37   22                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
