COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1      -4.055  -0.966   0.289  1.00  0.00          Br  
HETATM    2  C   UNL     1      -2.658   0.275   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.348  -0.172   0.013  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.352   0.781  -0.207  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.677   2.144  -0.435  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.003   2.567  -0.442  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.974   1.605  -0.226  1.00  0.00           C  
HETATM    8  C   UNL     1       1.093   0.712  -0.262  1.00  0.00           C  
HETATM    9  C   UNL     1       1.555   1.967  -0.525  1.00  0.00           C  
HETATM   10  N   UNL     1       0.497   2.822  -0.622  1.00  0.00           N  
HETATM   11  C   UNL     1       2.030  -0.414  -0.077  1.00  0.00           C  
HETATM   12  N   UNL     1       1.858  -1.599  -0.641  1.00  0.00           N  
HETATM   13  C   UNL     1       2.775  -2.546  -0.482  1.00  0.00           C  
HETATM   14  N   UNL     1       2.576  -3.781  -1.074  1.00  0.00           N  
HETATM   15  N   UNL     1       3.875  -2.341   0.229  1.00  0.00           N  
HETATM   16  C   UNL     1       4.095  -1.185   0.842  1.00  0.00           C  
HETATM   17  C   UNL     1       3.155  -0.186   0.730  1.00  0.00           C  
HETATM   18  C   UNL     1       3.240   1.086   1.512  1.00  0.00           C  
HETATM   19  C   UNL     1       3.723   2.285   0.685  1.00  0.00           C  
HETATM   20  C   UNL     1       3.014   2.290  -0.672  1.00  0.00           C  
HETATM   21  H   UNL     1      -1.107  -1.211   0.186  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.264   3.601  -0.612  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.013   1.901  -0.229  1.00  0.00           H  
HETATM   24  H   UNL     1       0.567   3.774  -0.798  1.00  0.00           H  
HETATM   25  H   UNL     1       1.776  -3.945  -1.597  1.00  0.00           H  
HETATM   26  H   UNL     1       3.237  -4.483  -0.966  1.00  0.00           H  
HETATM   27  H   UNL     1       4.996  -1.030   1.418  1.00  0.00           H  
HETATM   28  H   UNL     1       2.253   1.315   1.914  1.00  0.00           H  
HETATM   29  H   UNL     1       3.927   0.938   2.346  1.00  0.00           H  
HETATM   30  H   UNL     1       3.495   3.209   1.217  1.00  0.00           H  
HETATM   31  H   UNL     1       4.800   2.210   0.532  1.00  0.00           H  
HETATM   32  H   UNL     1       3.480   1.548  -1.322  1.00  0.00           H  
HETATM   33  H   UNL     1       3.118   3.276  -1.126  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4   21                                       
CONECT    4    3    8    5    5                                       
CONECT    5    4    4    6   10                                       
CONECT    6    7    7    5   22                                       
CONECT    7    2    6    6   23                                       
CONECT    8   11    4    9    9                                       
CONECT    9    8    8   20   10                                       
CONECT   10    5    9   24                                            
CONECT   11   12   12   17    8                                       
CONECT   12   13   11   11                                            
CONECT   13   14   15   15   12                                       
CONECT   14   13   25   26                                            
CONECT   15   13   13   16                                            
CONECT   16   15   17   17   27                                       
CONECT   17   16   16   11   18                                       
CONECT   18   17   19   28   29                                       
CONECT   19   18   20   30   31                                       
CONECT   20   19    9   32   33                                       
CONECT   21    3                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24   10                                                      
CONECT   25   14                                                      
CONECT   26   14                                                      
CONECT   27   16                                                      
CONECT   28   18                                                      
CONECT   29   18                                                      
CONECT   30   19                                                      
CONECT   31   19                                                      
CONECT   32   20                                                      
CONECT   33   20                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
