COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.968   2.872   0.366  1.00  0.00           C  
HETATM    2  N   UNL     1       1.754   1.632   1.026  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.711   1.360  -0.317  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.137   0.318   0.118  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.880  -0.844   0.023  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.889  -2.082  -0.472  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.745   1.553   0.651  1.00  0.00           C  
HETATM    8  C   UNL     1       2.315   1.218  -1.068  1.00  0.00           C  
HETATM    9  C   UNL     1       6.457  -2.068   0.314  1.00  0.00           C  
HETATM   10  C   UNL     1       5.098  -2.111   0.569  1.00  0.00           C  
HETATM   11  C   UNL     1       4.378  -0.937   0.676  1.00  0.00           C  
HETATM   12  C   UNL     1       5.015   0.281   0.529  1.00  0.00           C  
HETATM   13  C   UNL     1       6.373   0.325   0.273  1.00  0.00           C  
HETATM   14  C   UNL     1       7.094  -0.849   0.166  1.00  0.00           C  
HETATM   15  C   UNL     1       4.229   1.562   0.646  1.00  0.00           C  
HETATM   16  C   UNL     1       4.581   2.503   1.799  1.00  0.00           C  
HETATM   17  C   UNL     1       2.782   1.477   0.233  1.00  0.00           C  
HETATM   18  C   UNL     1       0.907   1.227  -1.008  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.313   1.099  -1.631  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.766   0.281  -0.088  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.256  -2.043  -0.271  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.144  -0.922  -0.389  1.00  0.00           C  
HETATM   23  C   UNL     1       3.117   0.988  -2.232  1.00  0.00           C  
HETATM   24  N   UNL     1       0.572   1.484   0.292  1.00  0.00           N  
HETATM   25  N   UNL     1      -0.032   1.041  -1.935  1.00  0.00           N  
HETATM   26  N   UNL     1       3.754   0.806  -3.155  1.00  0.00           N  
HETATM   27  O   UNL     1      -3.033   1.422   0.004  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.097   1.807   1.933  1.00  0.00           O  
HETATM   29 BR   UNL     1      -7.751  -0.794   0.298  1.00  0.00          Br  
HETATM   30 CL   UNL     1       7.364  -3.543   0.186  1.00  0.00          Cl  
HETATM   31  H   UNL     1       6.022   2.808   0.096  1.00  0.00           H  
HETATM   32  H   UNL     1       4.407   3.673  -0.117  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.624   1.254   0.348  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.404  -3.020  -0.702  1.00  0.00           H  
HETATM   35  H   UNL     1       4.600  -3.063   0.684  1.00  0.00           H  
HETATM   36  H   UNL     1       3.317  -0.970   0.875  1.00  0.00           H  
HETATM   37  H   UNL     1       6.870   1.277   0.157  1.00  0.00           H  
HETATM   38  H   UNL     1       8.155  -0.815  -0.034  1.00  0.00           H  
HETATM   39  H   UNL     1       5.381   2.197   2.473  1.00  0.00           H  
HETATM   40  H   UNL     1       3.766   3.062   2.260  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.056   0.946  -2.399  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.839  -2.950  -0.344  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.076  -0.953  -0.550  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.049   1.760   2.097  1.00  0.00           H  
CONECT    1   15   16   31   32                                       
CONECT    2   17   17   24                                            
CONECT    3   19    7    7   27                                       
CONECT    4   20   20    5   33                                       
CONECT    5    4   29   21   21                                       
CONECT    6   22   22   21   34                                       
CONECT    7   24    3    3   28                                       
CONECT    8   23   18   18   17                                       
CONECT    9   30   14   14   10                                       
CONECT   10    9   11   11   35                                       
CONECT   11   10   10   12   36                                       
CONECT   12   13   13   11   15                                       
CONECT   13   14   12   12   37                                       
CONECT   14    9    9   13   38                                       
CONECT   15   12   17    1   16                                       
CONECT   16   15    1   39   40                                       
CONECT   17    8   15    2    2                                       
CONECT   18    8    8   25   24                                       
CONECT   19   25   25    3   41                                       
CONECT   20   27    4    4   22                                       
CONECT   21    5    5    6   42                                       
CONECT   22   20    6    6   43                                       
CONECT   23   26   26   26    8                                       
CONECT   24   18    2    7                                            
CONECT   25   18   19   19                                            
CONECT   26   23   23   23                                            
CONECT   27    3   20                                                 
CONECT   28    7   44                                                 
CONECT   29    5                                                      
CONECT   30    9                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   28                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
