COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.776   2.343   0.399  1.00  0.00           C  
HETATM    2  C   UNL     1       2.503   2.140  -0.464  1.00  0.00           C  
HETATM    3  C   UNL     1       2.437   0.607  -0.628  1.00  0.00           C  
HETATM    4  C   UNL     1       1.490   0.023   0.388  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.760  -0.504   1.161  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.146  -0.334   0.695  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.251  -0.199   0.323  1.00  0.00           C  
HETATM    8  N   UNL     1       3.793   0.086  -0.406  1.00  0.00           N  
HETATM    9  N   UNL     1       0.160   0.064   0.172  1.00  0.00           N  
HETATM   10  C   UNL     1       4.698   1.219  -0.138  1.00  0.00           C  
HETATM   11  C   UNL     1       5.584  -1.607  -0.192  1.00  0.00           C  
HETATM   12  C   UNL     1       4.151  -1.213  -0.440  1.00  0.00           C  
HETATM   13  O   UNL     1       3.319  -2.065  -0.670  1.00  0.00           O  
HETATM   14  O   UNL     1       1.925  -0.485   1.400  1.00  0.00           O  
HETATM   15 BR   UNL     1      -5.040   0.020  -0.279  1.00  0.00          Br  
HETATM   16  H   UNL     1       4.215   3.325   0.223  1.00  0.00           H  
HETATM   17  H   UNL     1       3.559   2.198   1.457  1.00  0.00           H  
HETATM   18  H   UNL     1       1.620   2.510   0.059  1.00  0.00           H  
HETATM   19  H   UNL     1       2.612   2.628  -1.432  1.00  0.00           H  
HETATM   20  H   UNL     1       2.101   0.356  -1.634  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.632   0.009   2.114  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.547  -1.565   1.288  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.187   0.470  -0.637  1.00  0.00           H  
HETATM   24  H   UNL     1       5.189   1.538  -1.057  1.00  0.00           H  
HETATM   25  H   UNL     1       5.438   0.944   0.614  1.00  0.00           H  
HETATM   26  H   UNL     1       6.179  -0.713  -0.005  1.00  0.00           H  
HETATM   27  H   UNL     1       5.635  -2.266   0.674  1.00  0.00           H  
HETATM   28  H   UNL     1       5.975  -2.127  -1.067  1.00  0.00           H  
CONECT    1   10    2   16   17                                       
CONECT    2    1    3   18   19                                       
CONECT    3    2    8    4   20                                       
CONECT    4    3   14   14    9                                       
CONECT    5    9    6   21   22                                       
CONECT    6    5    7    7    7                                       
CONECT    7    6    6    6   15                                       
CONECT    8   10   12    3                                            
CONECT    9    4    5   23                                            
CONECT   10    1    8   24   25                                       
CONECT   11   12   26   27   28                                       
CONECT   12   11    8   13   13                                       
CONECT   13   12   12                                                 
CONECT   14    4    4                                                 
CONECT   15    7                                                      
CONECT   16    1                                                      
CONECT   17    1                                                      
CONECT   18    2                                                      
CONECT   19    2                                                      
CONECT   20    3                                                      
CONECT   21    5                                                      
CONECT   22    5                                                      
CONECT   23    9                                                      
CONECT   24   10                                                      
CONECT   25   10                                                      
CONECT   26   11                                                      
CONECT   27   11                                                      
CONECT   28   11                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
