COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1       2.326   2.477  -0.132  1.00  0.00          Br  
HETATM    2  C   UNL     1       0.963   1.170  -0.027  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.347   1.554  -0.039  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.354   0.588   0.032  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.776   0.970   0.021  1.00  0.00           C  
HETATM    6  O   UNL     1      -3.119   2.138  -0.051  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.766  -0.116   0.100  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.205   0.183   0.093  1.00  0.00           C  
HETATM    9  O   UNL     1      -6.014  -0.722   0.158  1.00  0.00           O  
HETATM   10  O   UNL     1      -5.628   1.460   0.016  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.322  -1.420   0.179  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.018  -1.730   0.187  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.633  -3.141   0.274  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.512  -3.724  -1.136  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.024  -0.777   0.116  1.00  0.00           C  
HETATM   16  C   UNL     1       0.314  -1.152   0.128  1.00  0.00           C  
HETATM   17  C   UNL     1       1.301  -0.182   0.056  1.00  0.00           C  
HETATM   18  N   UNL     1       2.641  -0.559   0.061  1.00  0.00           N  
HETATM   19  C   UNL     1       3.002  -1.204   1.332  1.00  0.00           C  
HETATM   20  C   UNL     1       4.497  -1.531   1.328  1.00  0.00           C  
HETATM   21  N   UNL     1       4.801  -2.409   0.191  1.00  0.00           N  
HETATM   22  C   UNL     1       4.440  -1.765  -1.080  1.00  0.00           C  
HETATM   23  C   UNL     1       2.945  -1.438  -1.077  1.00  0.00           C  
HETATM   24  H   UNL     1      -0.604   2.601  -0.103  1.00  0.00           H  
HETATM   25  H   UNL     1      -6.583   1.607   0.015  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.048  -2.217   0.237  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.674  -3.225   0.785  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.391  -3.691   0.831  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.225  -4.773  -1.071  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.470  -3.640  -1.647  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.753  -3.173  -1.692  1.00  0.00           H  
HETATM   32  H   UNL     1       0.584  -2.195   0.192  1.00  0.00           H  
HETATM   33  H   UNL     1       2.779  -0.529   2.158  1.00  0.00           H  
HETATM   34  H   UNL     1       2.429  -2.124   1.449  1.00  0.00           H  
HETATM   35  H   UNL     1       5.071  -0.608   1.239  1.00  0.00           H  
HETATM   36  H   UNL     1       4.761  -2.035   2.258  1.00  0.00           H  
HETATM   37  H   UNL     1       4.338  -3.301   0.288  1.00  0.00           H  
HETATM   38  H   UNL     1       5.014  -0.845  -1.197  1.00  0.00           H  
HETATM   39  H   UNL     1       4.664  -2.440  -1.906  1.00  0.00           H  
HETATM   40  H   UNL     1       2.372  -2.361  -0.987  1.00  0.00           H  
HETATM   41  H   UNL     1       2.681  -0.934  -2.006  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    3   17    1                                       
CONECT    3    4    2    2   24                                       
CONECT    4    5   15   15    3                                       
CONECT    5    7    6    6    4                                       
CONECT    6    5    5                                                 
CONECT    7    8   11   11    5                                       
CONECT    8    9    9   10    7                                       
CONECT    9    8    8                                                 
CONECT   10    8   25                                                 
CONECT   11    7    7   12   26                                       
CONECT   12   11   15   13                                            
CONECT   13   12   14   27   28                                       
CONECT   14   13   29   30   31                                       
CONECT   15    4    4   12   16                                       
CONECT   16   15   17   17   32                                       
CONECT   17   16   16    2   18                                       
CONECT   18   17   23   19                                            
CONECT   19   18   20   33   34                                       
CONECT   20   19   21   35   36                                       
CONECT   21   22   20   37                                            
CONECT   22   23   21   38   39                                       
CONECT   23   18   22   40   41                                       
CONECT   24    3                                                      
CONECT   25   10                                                      
CONECT   26   11                                                      
CONECT   27   13                                                      
CONECT   28   13                                                      
CONECT   29   14                                                      
CONECT   30   14                                                      
CONECT   31   14                                                      
CONECT   32   16                                                      
CONECT   33   19                                                      
CONECT   34   19                                                      
CONECT   35   20                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
CONECT   40   23                                                      
CONECT   41   23                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
