COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.326   1.266   0.033  1.00  0.00           C  
HETATM    2  C   UNL     1       4.213   0.866   0.831  1.00  0.00           C  
HETATM    3  C   UNL     1       4.833   2.014   0.498  1.00  0.00           C  
HETATM    4  C   UNL     1       3.140   1.823  -0.828  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.019   1.487   0.046  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.918   0.424   0.028  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.469  -0.878  -0.002  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.084  -1.135  -0.015  1.00  0.00           C  
HETATM    9  C   UNL     1       0.818  -0.046  -0.004  1.00  0.00           C  
HETATM   10  C   UNL     1       2.210  -0.307  -0.018  1.00  0.00           C  
HETATM   11  C   UNL     1       2.624  -1.612  -0.042  1.00  0.00           C  
HETATM   12  C   UNL     1       1.676  -2.642  -0.052  1.00  0.00           C  
HETATM   13  N   UNL     1       0.382  -2.390  -0.051  1.00  0.00           N  
HETATM   14  N   UNL     1       2.109  -3.960  -0.077  1.00  0.00           N  
HETATM   15  N   UNL     1       3.136   0.739  -0.008  1.00  0.00           N  
HETATM   16  N   UNL     1       4.159   2.576  -0.516  1.00  0.00           N  
HETATM   17  O   UNL     1      -2.357  -1.908  -0.017  1.00  0.00           O  
HETATM   18 BR   UNL     1      -3.776   0.771   0.047  1.00  0.00          Br  
HETATM   19  H   UNL     1       1.011   2.100   0.047  1.00  0.00           H  
HETATM   20  H   UNL     1       4.510   0.176   1.608  1.00  0.00           H  
HETATM   21  H   UNL     1       5.721   2.413   0.966  1.00  0.00           H  
HETATM   22  H   UNL     1       2.421   2.026  -1.608  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.392   2.500   0.070  1.00  0.00           H  
HETATM   24  H   UNL     1       3.678  -1.846  -0.054  1.00  0.00           H  
HETATM   25  H   UNL     1       3.059  -4.159  -0.087  1.00  0.00           H  
HETATM   26  H   UNL     1       1.463  -4.683  -0.085  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.619  -2.187  -0.905  1.00  0.00           H  
CONECT    1    9    9    5   19                                       
CONECT    2    3    3   15   20                                       
CONECT    3    2    2   16   21                                       
CONECT    4   15   16   16   22                                       
CONECT    5    1    6    6   23                                       
CONECT    6    7    5    5   18                                       
CONECT    7    8    8   17    6                                       
CONECT    8   13    9    7    7                                       
CONECT    9   10    8    1    1                                       
CONECT   10   11   11   15    9                                       
CONECT   11   12   10   10   24                                       
CONECT   12   14   11   13   13                                       
CONECT   13   12   12    8                                            
CONECT   14   12   25   26                                            
CONECT   15    2   10    4                                            
CONECT   16    3    4    4                                            
CONECT   17    7   27                                                 
CONECT   18    6                                                      
CONECT   19    1                                                      
CONECT   20    2                                                      
CONECT   21    3                                                      
CONECT   22    4                                                      
CONECT   23    5                                                      
CONECT   24   11                                                      
CONECT   25   14                                                      
CONECT   26   14                                                      
CONECT   27   17                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
