COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.636   1.808  -1.428  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.711   0.589   1.027  1.00  0.00           C  
HETATM    3  C   UNL     1       3.535   0.262   0.447  1.00  0.00           C  
HETATM    4  C   UNL     1       6.254  -0.188   0.201  1.00  0.00           C  
HETATM    5  C   UNL     1       5.449  -0.195  -0.924  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.150   0.901   0.120  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.975   2.398   0.531  1.00  0.00           C  
HETATM    8 BR   UNL     1      -8.630  -1.373   0.056  1.00  0.00          Br  
HETATM    9  C   UNL     1      -7.408   0.064   0.184  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.049  -0.163   0.024  1.00  0.00           C  
HETATM   11  N   UNL     1      -5.294  -1.306  -0.233  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.996  -0.952  -0.291  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.071  -1.714  -0.501  1.00  0.00           O  
HETATM   14  N   UNL     1      -3.878   0.373  -0.087  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.624   1.130  -0.075  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.929   0.987  -1.432  1.00  0.00           C  
HETATM   17  N   UNL     1       0.185   1.392  -0.283  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.415   1.405   1.058  1.00  0.00           C  
HETATM   19  C   UNL     1       1.464   1.005  -0.460  1.00  0.00           C  
HETATM   20  O   UNL     1       1.991   1.127  -1.548  1.00  0.00           O  
HETATM   21  N   UNL     1       2.159   0.484   0.571  1.00  0.00           N  
HETATM   22  C   UNL     1       4.346   0.269   1.574  1.00  0.00           C  
HETATM   23  C   UNL     1       5.703   0.044   1.449  1.00  0.00           C  
HETATM   24  I   UNL     1       8.313  -0.528   0.016  1.00  0.00           I  
HETATM   25  C   UNL     1       4.092   0.029  -0.804  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.620   2.181   0.374  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.866   1.342   0.436  1.00  0.00           C  
HETATM   28  H   UNL     1      -0.088   1.631  -2.354  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.874   2.868  -1.341  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.215   0.669   1.990  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.477  -0.457   0.825  1.00  0.00           H  
HETATM   32  H   UNL     1       5.883  -0.376  -1.896  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.340   3.394   0.728  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.644  -2.203  -0.350  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.836   2.183   0.114  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.589   1.352  -2.219  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.694  -0.062  -1.611  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.637   2.432   1.349  1.00  0.00           H  
HETATM   39  H   UNL     1       0.279   0.962   1.773  1.00  0.00           H  
HETATM   40  H   UNL     1       1.705   0.262   1.399  1.00  0.00           H  
HETATM   41  H   UNL     1       3.915   0.450   2.548  1.00  0.00           H  
HETATM   42  H   UNL     1       6.333   0.049   2.325  1.00  0.00           H  
HETATM   43  H   UNL     1       3.464   0.022  -1.683  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.928   3.006   0.449  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.924   1.520   0.561  1.00  0.00           H  
CONECT    1   16   17   28   29                                       
CONECT    2   15   18   30   31                                       
CONECT    3   21   22   22   25                                       
CONECT    4   23   23    5   24                                       
CONECT    5   25   25    4   32                                       
CONECT    6   14   10   10   26                                       
CONECT    7   26   26   27   33                                       
CONECT    8    9                                                      
CONECT    9    8   10   27   27                                       
CONECT   10   11    6    6    9                                       
CONECT   11   12   10   34                                            
CONECT   12   13   13   11   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15    6                                            
CONECT   15   14    2   16   35                                       
CONECT   16   15    1   36   37                                       
CONECT   17   18    1   19                                            
CONECT   18    2   17   38   39                                       
CONECT   19   17   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19    3   40                                            
CONECT   22    3    3   23   41                                       
CONECT   23   22    4    4   42                                       
CONECT   24    4                                                      
CONECT   25    3    5    5   43                                       
CONECT   26    6    7    7   44                                       
CONECT   27    9    9    7   45                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34   11                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
