COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.817   1.501  -0.916  1.00  0.00           N  
HETATM    2  C   UNL     1       1.975   0.067   0.241  1.00  0.00           C  
HETATM    3  C   UNL     1       3.347   0.627   0.623  1.00  0.00           C  
HETATM    4  C   UNL     1       3.701   1.820  -0.240  1.00  0.00           C  
HETATM    5  C   UNL     1       5.270   0.216  -0.612  1.00  0.00           C  
HETATM    6  C   UNL     1       6.370  -0.498  -1.085  1.00  0.00           C  
HETATM    7  C   UNL     1       5.774  -2.359   0.304  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.733   0.951   1.042  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.746   0.598   2.291  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.288  -0.736   0.356  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.394   0.751   0.427  1.00  0.00           N  
HETATM   12  C   UNL     1       4.680  -1.655   0.780  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.625   2.753  -0.252  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.100  -0.055   0.167  1.00  0.00           C  
HETATM   15  O   UNL     1       1.203   2.074   1.214  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.439   1.694   0.836  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.110  -0.411   1.420  1.00  0.00           C  
HETATM   18  C   UNL     1       6.616  -1.776  -0.628  1.00  0.00           C  
HETATM   19  F   UNL     1       6.021  -3.611   0.751  1.00  0.00           F  
HETATM   20  C   UNL     1       4.433  -0.380   0.322  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.557   1.279   2.102  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.332   3.039  -2.524  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.121   2.132  -1.440  1.00  0.00           O  
HETATM   24  O   UNL     1       3.092   2.866  -0.307  1.00  0.00           O  
HETATM   25  C   UNL     1       0.901   1.037   0.663  1.00  0.00           C  
HETATM   26 BR   UNL     1      -4.790  -2.112  -0.840  1.00  0.00          Br  
HETATM   27  H   UNL     1       5.255   2.094  -1.547  1.00  0.00           H  
HETATM   28  H   UNL     1       1.930  -0.079  -0.838  1.00  0.00           H  
HETATM   29  H   UNL     1       1.820  -0.888   0.744  1.00  0.00           H  
HETATM   30  H   UNL     1       3.365   0.905   1.677  1.00  0.00           H  
HETATM   31  H   UNL     1       7.030  -0.049  -1.812  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.389   0.855   3.120  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.636  -0.078  -0.014  1.00  0.00           H  
HETATM   34  H   UNL     1       4.021  -2.105   1.508  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.337   3.504   0.090  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.668   3.230  -0.463  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.458  -0.308  -0.664  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.145   2.178   1.768  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.038  -0.943   1.568  1.00  0.00           H  
HETATM   40  H   UNL     1       7.469  -2.324  -0.998  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.273   2.068   2.783  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.059   3.796  -2.230  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.389   3.521  -2.783  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.708   2.491  -3.388  1.00  0.00           H  
CONECT    1    4    5   27                                            
CONECT    2    3   25   28   29                                       
CONECT    3    4    2   20   30                                       
CONECT    4   24   24    1    3                                       
CONECT    5    1   20   20    6                                       
CONECT    6    5   18   18   31                                       
CONECT    7   12   12   18   19                                       
CONECT    8   14   16   21   21                                       
CONECT    9   17   17   21   32                                       
CONECT   10   26   14   14   17                                       
CONECT   11   25   16   33                                            
CONECT   12   20    7    7   34                                       
CONECT   13   16   23   35   36                                       
CONECT   14   10   10    8   37                                       
CONECT   15   25   25                                                 
CONECT   16   11    8   13   38                                       
CONECT   17   10    9    9   39                                       
CONECT   18    6    6    7   40                                       
CONECT   19    7                                                      
CONECT   20    3    5    5   12                                       
CONECT   21    8    8    9   41                                       
CONECT   22   23   42   43   44                                       
CONECT   23   13   22                                                 
CONECT   24    4    4                                                 
CONECT   25    2   15   15   11                                       
CONECT   26   10                                                      
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
