COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.636   0.206   0.497  1.00  0.00           O  
HETATM    2  C   UNL     1       3.061   0.807  -0.461  1.00  0.00           C  
HETATM    3  C   UNL     1       4.538   0.800  -0.759  1.00  0.00           C  
HETATM    4  C   UNL     1       5.268  -0.035   0.295  1.00  0.00           C  
HETATM    5  N   UNL     1       4.842  -1.436   0.191  1.00  0.00           N  
HETATM    6  C   UNL     1       5.490  -2.266   1.215  1.00  0.00           C  
HETATM    7  C   UNL     1       7.006  -2.237   1.013  1.00  0.00           C  
HETATM    8  C   UNL     1       7.503  -0.792   1.110  1.00  0.00           C  
HETATM    9  C   UNL     1       6.778   0.060   0.065  1.00  0.00           C  
HETATM   10  O   UNL     1       7.194   1.421   0.187  1.00  0.00           O  
HETATM   11  C   UNL     1       2.114   1.558  -1.360  1.00  0.00           C  
HETATM   12  N   UNL     1       0.744   1.406  -0.863  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.014   0.371  -1.294  1.00  0.00           C  
HETATM   14  O   UNL     1       0.418  -0.442  -2.090  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.381   0.266  -0.763  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.243  -0.761  -1.143  1.00  0.00           C  
HETATM   17  C   UNL     1       0.249   2.302   0.030  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.953   2.235   0.516  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.812   1.248   0.157  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.104   1.176   0.680  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.941   0.153   0.293  1.00  0.00           C  
HETATM   22 BR   UNL     1      -5.692   0.059   1.002  1.00  0.00          Br  
HETATM   23  C   UNL     1      -3.515  -0.811  -0.614  1.00  0.00           C  
HETATM   24 CL   UNL     1      -4.593  -2.089  -1.084  1.00  0.00          Cl  
HETATM   25  H   UNL     1       4.707   0.367  -1.745  1.00  0.00           H  
HETATM   26  H   UNL     1       4.917   1.821  -0.741  1.00  0.00           H  
HETATM   27  H   UNL     1       5.027   0.345   1.288  1.00  0.00           H  
HETATM   28  H   UNL     1       5.019  -1.800  -0.734  1.00  0.00           H  
HETATM   29  H   UNL     1       5.248  -1.876   2.204  1.00  0.00           H  
HETATM   30  H   UNL     1       5.131  -3.292   1.132  1.00  0.00           H  
HETATM   31  H   UNL     1       7.488  -2.841   1.782  1.00  0.00           H  
HETATM   32  H   UNL     1       7.250  -2.640   0.029  1.00  0.00           H  
HETATM   33  H   UNL     1       7.294  -0.402   2.107  1.00  0.00           H  
HETATM   34  H   UNL     1       8.576  -0.762   0.925  1.00  0.00           H  
HETATM   35  H   UNL     1       7.017  -0.306  -0.933  1.00  0.00           H  
HETATM   36  H   UNL     1       8.143   1.556   0.053  1.00  0.00           H  
HETATM   37  H   UNL     1       2.382   2.614  -1.369  1.00  0.00           H  
HETATM   38  H   UNL     1       2.180   1.158  -2.372  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.916  -1.512  -1.847  1.00  0.00           H  
HETATM   40  H   UNL     1       0.888   3.110   0.352  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.447   1.919   1.385  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   11                                       
CONECT    3    2    4   25   26                                       
CONECT    4    5    3    9   27                                       
CONECT    5    6    4   28                                            
CONECT    6    5    7   29   30                                       
CONECT    7    6    8   31   32                                       
CONECT    8    7    9   33   34                                       
CONECT    9    4    8   10   35                                       
CONECT   10    9   36                                                 
CONECT   11   12    2   37   38                                       
CONECT   12   13   11   17                                            
CONECT   13   14   14   15   12                                       
CONECT   14   13   13                                                 
CONECT   15   16   13   19   19                                       
CONECT   16   23   23   15   39                                       
CONECT   17   12   18   18   40                                       
CONECT   18   19   17   17                                            
CONECT   19   15   15   20   18                                       
CONECT   20   21   21   19   41                                       
CONECT   21   23   22   20   20                                       
CONECT   22   21                                                      
CONECT   23   24   16   16   21                                       
CONECT   24   23                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   20                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
