COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.308  -1.876  -0.874  1.00  0.00           C  
HETATM    2  C   UNL     1       2.185  -1.124  -0.678  1.00  0.00           C  
HETATM    3  C   UNL     1       2.269   0.082   0.019  1.00  0.00           C  
HETATM    4  C   UNL     1       3.507   0.521   0.516  1.00  0.00           C  
HETATM    5  C   UNL     1       4.640  -0.254   0.309  1.00  0.00           C  
HETATM    6  C   UNL     1       4.539  -1.447  -0.384  1.00  0.00           C  
HETATM    7  O   UNL     1       5.647  -2.206  -0.587  1.00  0.00           O  
HETATM    8  O   UNL     1       3.294   1.699   1.137  1.00  0.00           O  
HETATM    9  N   UNL     1       1.925   2.039   1.051  1.00  0.00           N  
HETATM   10  C   UNL     1       1.283   1.107   0.397  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.166   1.087   0.092  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.911  -0.071   0.311  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.260  -0.087   0.027  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.881   1.049  -0.479  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.147   2.205  -0.701  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.794   2.232  -0.412  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.075   3.365  -0.623  1.00  0.00           O  
HETATM   18  O   UNL     1      -4.210   1.027  -0.758  1.00  0.00           O  
HETATM   19 BR   UNL     1      -3.269  -1.658   0.325  1.00  0.00          Br  
HETATM   20  H   UNL     1       3.240  -2.812  -1.410  1.00  0.00           H  
HETATM   21  H   UNL     1       1.234  -1.462  -1.061  1.00  0.00           H  
HETATM   22  H   UNL     1       5.597   0.074   0.687  1.00  0.00           H  
HETATM   23  H   UNL     1       6.121  -1.999  -1.403  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.431  -0.956   0.704  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.633   3.086  -1.095  1.00  0.00           H  
HETATM   26  H   UNL     1       0.310   3.428  -1.508  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.772   1.291  -0.016  1.00  0.00           H  
CONECT    1    2    2    6   20                                       
CONECT    2    1    1    3   21                                       
CONECT    3    2    4    4   10                                       
CONECT    4    3    3    5    8                                       
CONECT    5    4    6    6   22                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6   23                                                 
CONECT    8    4    9                                                 
CONECT    9    8   10   10                                            
CONECT   10    3    9    9   11                                       
CONECT   11   10   12   12   16                                       
CONECT   12   11   11   13   24                                       
CONECT   13   12   14   14   19                                       
CONECT   14   13   13   15   18                                       
CONECT   15   14   16   16   25                                       
CONECT   16   11   15   15   17                                       
CONECT   17   16   26                                                 
CONECT   18   14   27                                                 
CONECT   19   13                                                      
CONECT   20    1                                                      
CONECT   21    2                                                      
CONECT   22    5                                                      
CONECT   23    7                                                      
CONECT   24   12                                                      
CONECT   25   15                                                      
CONECT   26   17                                                      
CONECT   27   18                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
