COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.424  -1.185   0.266  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.922  -0.245  -0.661  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.710   0.833  -1.060  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.438  -2.376   0.166  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.560  -0.445  -1.178  1.00  0.00           C  
HETATM    6  C   UNL     1       0.486  -1.769  -1.210  1.00  0.00           C  
HETATM    7  C   UNL     1       1.487  -1.066  -0.291  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.981   0.973  -0.543  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.478   0.049   0.370  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.712  -1.020   0.780  1.00  0.00           C  
HETATM   11 CL   UNL     1      -5.970   2.310  -1.041  1.00  0.00          Cl  
HETATM   12 BR   UNL     1      -7.224   0.267   1.062  1.00  0.00          Br  
HETATM   13  N   UNL     1      -2.638  -2.225   0.640  1.00  0.00           N  
HETATM   14  N   UNL     1      -0.875  -1.522  -0.728  1.00  0.00           N  
HETATM   15  O   UNL     1      -1.068   0.328  -1.979  1.00  0.00           O  
HETATM   16  C   UNL     1       2.909  -1.324  -0.795  1.00  0.00           C  
HETATM   17  C   UNL     1       3.911  -0.621   0.124  1.00  0.00           C  
HETATM   18  C   UNL     1       5.332  -0.879  -0.379  1.00  0.00           C  
HETATM   19  O   UNL     1       6.283  -0.212   0.493  1.00  0.00           O  
HETATM   20  C   UNL     1       7.584  -0.340   0.188  1.00  0.00           C  
HETATM   21  C   UNL     1       8.628   0.324   1.047  1.00  0.00           C  
HETATM   22  O   UNL     1       7.917  -0.988  -0.776  1.00  0.00           O  
HETATM   23  C   UNL     1       8.727   1.806   0.676  1.00  0.00           C  
HETATM   24  C   UNL     1       9.871   2.452   1.459  1.00  0.00           C  
HETATM   25  N   UNL     1       9.928  -0.323   0.826  1.00  0.00           N  
HETATM   26  O   UNL     1       8.978   1.930  -0.725  1.00  0.00           O  
HETATM   27  H   UNL     1      -3.329   1.553  -1.768  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.858  -3.223   0.500  1.00  0.00           H  
HETATM   29  H   UNL     1       0.589  -1.381  -2.224  1.00  0.00           H  
HETATM   30  H   UNL     1       0.683  -2.841  -1.209  1.00  0.00           H  
HETATM   31  H   UNL     1       1.291   0.006  -0.292  1.00  0.00           H  
HETATM   32  H   UNL     1       1.385  -1.453   0.722  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.108  -1.731   1.489  1.00  0.00           H  
HETATM   34  H   UNL     1       3.106  -2.396  -0.794  1.00  0.00           H  
HETATM   35  H   UNL     1       3.012  -0.936  -1.808  1.00  0.00           H  
HETATM   36  H   UNL     1       3.714   0.451   0.123  1.00  0.00           H  
HETATM   37  H   UNL     1       3.808  -1.008   1.138  1.00  0.00           H  
HETATM   38  H   UNL     1       5.529  -1.951  -0.378  1.00  0.00           H  
HETATM   39  H   UNL     1       5.435  -0.491  -1.393  1.00  0.00           H  
HETATM   40  H   UNL     1       8.349   0.230   2.096  1.00  0.00           H  
HETATM   41  H   UNL     1       7.790   2.305   0.923  1.00  0.00           H  
HETATM   42  H   UNL     1      10.808   1.953   1.212  1.00  0.00           H  
HETATM   43  H   UNL     1       9.941   3.507   1.195  1.00  0.00           H  
HETATM   44  H   UNL     1       9.679   2.357   2.528  1.00  0.00           H  
HETATM   45  H   UNL     1       9.908  -1.287   1.124  1.00  0.00           H  
HETATM   46  H   UNL     1      10.209  -0.249  -0.140  1.00  0.00           H  
HETATM   47  H   UNL     1       9.797   1.508  -1.017  1.00  0.00           H  
CONECT    1   10   10    2   13                                       
CONECT    2    3    3    1    5                                       
CONECT    3    8    2    2   27                                       
CONECT    4   13   13   14   28                                       
CONECT    5    2   15   15   14                                       
CONECT    6    7   14   29   30                                       
CONECT    7   16    6   31   32                                       
CONECT    8   11    9    9    3                                       
CONECT    9   12    8    8   10                                       
CONECT   10    9    1    1   33                                       
CONECT   11    8                                                      
CONECT   12    9                                                      
CONECT   13    1    4    4                                            
CONECT   14    5    4    6                                            
CONECT   15    5    5                                                 
CONECT   16    7   17   34   35                                       
CONECT   17   18   16   36   37                                       
CONECT   18   19   17   38   39                                       
CONECT   19   20   18                                                 
CONECT   20   21   22   22   19                                       
CONECT   21   25   23   20   40                                       
CONECT   22   20   20                                                 
CONECT   23   26   21   24   41                                       
CONECT   24   23   42   43   44                                       
CONECT   25   21   45   46                                            
CONECT   26   23   47                                                 
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33   10                                                      
CONECT   34   16                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   21                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
