COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  B   UNL     1       1.584  -0.364   0.180  1.00  0.00           B  
HETATM    2  C   UNL     1       2.464   0.930   0.055  1.00  0.00           C  
HETATM    3  C   UNL     1       3.488   1.171   0.970  1.00  0.00           C  
HETATM    4  C   UNL     1       4.259   2.309   0.856  1.00  0.00           C  
HETATM    5  C   UNL     1       4.017   3.211  -0.165  1.00  0.00           C  
HETATM    6  C   UNL     1       3.002   2.978  -1.076  1.00  0.00           C  
HETATM    7  C   UNL     1       2.229   1.840  -0.975  1.00  0.00           C  
HETATM    8  C   UNL     1       0.019  -0.256   0.132  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.761  -1.410   0.080  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.136  -1.310   0.039  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.742  -0.065   0.048  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.972   1.085   0.098  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.597   0.995   0.146  1.00  0.00           C  
HETATM   14  C   UNL     1       3.629  -1.598   0.233  1.00  0.00           C  
HETATM   15  C   UNL     1       4.174  -3.028   0.222  1.00  0.00           C  
HETATM   16  N   UNL     1       3.718  -3.716  -0.993  1.00  0.00           N  
HETATM   17  O   UNL     1       2.204  -1.632   0.330  1.00  0.00           O  
HETATM   18 BR   UNL     1      -4.628   0.065  -0.010  1.00  0.00          Br  
HETATM   19  H   UNL     1       3.677   0.468   1.768  1.00  0.00           H  
HETATM   20  H   UNL     1       5.052   2.497   1.564  1.00  0.00           H  
HETATM   21  H   UNL     1       4.623   4.101  -0.251  1.00  0.00           H  
HETATM   22  H   UNL     1       2.821   3.683  -1.874  1.00  0.00           H  
HETATM   23  H   UNL     1       1.437   1.658  -1.686  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.289  -2.382   0.073  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.740  -2.204  -0.001  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.450   2.053   0.104  1.00  0.00           H  
HETATM   27  H   UNL     1       0.002   1.892   0.190  1.00  0.00           H  
HETATM   28  H   UNL     1       4.039  -1.059   1.087  1.00  0.00           H  
HETATM   29  H   UNL     1       3.918  -1.092  -0.688  1.00  0.00           H  
HETATM   30  H   UNL     1       5.264  -3.001   0.238  1.00  0.00           H  
HETATM   31  H   UNL     1       3.811  -3.562   1.100  1.00  0.00           H  
HETATM   32  H   UNL     1       4.065  -4.663  -1.023  1.00  0.00           H  
HETATM   33  H   UNL     1       2.712  -3.698  -1.063  1.00  0.00           H  
CONECT    1   17    2    8                                            
CONECT    2    7    1    3    3                                       
CONECT    3    2    2    4   19                                       
CONECT    4    5    5    3   20                                       
CONECT    5    6    4    4   21                                       
CONECT    6    7    7    5   22                                       
CONECT    7    6    6    2   23                                       
CONECT    8    1    9    9   13                                       
CONECT    9    8    8   10   24                                       
CONECT   10    9   11   11   25                                       
CONECT   11   10   10   12   18                                       
CONECT   12   13   13   11   26                                       
CONECT   13    8   12   12   27                                       
CONECT   14   15   17   28   29                                       
CONECT   15   14   16   30   31                                       
CONECT   16   15   32   33                                            
CONECT   17   14    1                                                 
CONECT   18   11                                                      
CONECT   19    3                                                      
CONECT   20    4                                                      
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    9                                                      
CONECT   25   10                                                      
CONECT   26   12                                                      
CONECT   27   13                                                      
CONECT   28   14                                                      
CONECT   29   14                                                      
CONECT   30   15                                                      
CONECT   31   15                                                      
CONECT   32   16                                                      
CONECT   33   16                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
