COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.133   0.212  -0.833  1.00  0.00           N  
HETATM    2  C   UNL     1       4.477   1.464  -1.039  1.00  0.00           C  
HETATM    3  N   UNL     1       3.762   2.483  -0.595  1.00  0.00           N  
HETATM    4  C   UNL     1       2.642   2.289   0.093  1.00  0.00           C  
HETATM    5  C   UNL     1       2.229   0.965   0.341  1.00  0.00           C  
HETATM    6  C   UNL     1       3.026  -0.086  -0.154  1.00  0.00           C  
HETATM    7  N   UNL     1       1.901   3.359   0.554  1.00  0.00           N  
HETATM    8  C   UNL     1       1.135   0.375   1.010  1.00  0.00           C  
HETATM    9  N   UNL     1       1.253  -0.919   0.931  1.00  0.00           N  
HETATM   10  N   UNL     1       2.413  -1.245   0.218  1.00  0.00           N  
HETATM   11  C   UNL     1       2.886  -2.599  -0.080  1.00  0.00           C  
HETATM   12  C   UNL     1       4.274  -2.801   0.532  1.00  0.00           C  
HETATM   13  C   UNL     1       1.914  -3.621   0.513  1.00  0.00           C  
HETATM   14  C   UNL     1       2.965  -2.791  -1.596  1.00  0.00           C  
HETATM   15  C   UNL     1       0.020   1.118   1.699  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.152   1.249   0.760  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.129   0.272   0.734  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.205   0.392  -0.128  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.301   1.490  -0.963  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.323   2.467  -0.937  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.252   2.349  -0.072  1.00  0.00           C  
HETATM   22 BR   UNL     1      -4.542  -0.944  -0.164  1.00  0.00          Br  
HETATM   23  H   UNL     1       5.381   1.669  -1.593  1.00  0.00           H  
HETATM   24  H   UNL     1       2.236   4.263   0.447  1.00  0.00           H  
HETATM   25  H   UNL     1       1.045   3.207   0.985  1.00  0.00           H  
HETATM   26  H   UNL     1       4.218  -2.665   1.612  1.00  0.00           H  
HETATM   27  H   UNL     1       4.626  -3.808   0.311  1.00  0.00           H  
HETATM   28  H   UNL     1       4.967  -2.073   0.109  1.00  0.00           H  
HETATM   29  H   UNL     1       0.926  -3.478   0.077  1.00  0.00           H  
HETATM   30  H   UNL     1       2.266  -4.629   0.292  1.00  0.00           H  
HETATM   31  H   UNL     1       1.858  -3.485   1.593  1.00  0.00           H  
HETATM   32  H   UNL     1       3.658  -2.063  -2.019  1.00  0.00           H  
HETATM   33  H   UNL     1       3.317  -3.798  -1.817  1.00  0.00           H  
HETATM   34  H   UNL     1       1.976  -2.647  -2.032  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.288   0.568   2.589  1.00  0.00           H  
HETATM   36  H   UNL     1       0.367   2.110   1.987  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.053  -0.586   1.386  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.141   1.585  -1.637  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.399   3.324  -1.589  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.488   3.112  -0.051  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3   23                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    7    5                                       
CONECT    5    4    6    6    8                                       
CONECT    6    1    5    5   10                                       
CONECT    7    4   24   25                                            
CONECT    8    5   15    9    9                                       
CONECT    9    8    8   10                                            
CONECT   10    6    9   11                                            
CONECT   11   10   13   12   14                                       
CONECT   12   11   26   27   28                                       
CONECT   13   11   29   30   31                                       
CONECT   14   11   32   33   34                                       
CONECT   15    8   16   35   36                                       
CONECT   16   15   21   21   17                                       
CONECT   17   16   18   18   37                                       
CONECT   18   17   17   19   22                                       
CONECT   19   18   20   20   38                                       
CONECT   20   19   19   21   39                                       
CONECT   21   16   16   20   40                                       
CONECT   22   18                                                      
CONECT   23    2                                                      
CONECT   24    7                                                      
CONECT   25    7                                                      
CONECT   26   12                                                      
CONECT   27   12                                                      
CONECT   28   12                                                      
CONECT   29   13                                                      
CONECT   30   13                                                      
CONECT   31   13                                                      
CONECT   32   14                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
