COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.732   2.473   0.456  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.044   2.511   1.244  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.008   2.864  -0.999  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.061   1.920  -1.584  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.060   1.580   0.578  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.374   1.615   1.360  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.331   0.605   0.780  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.345  -0.690   1.263  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.197   0.975  -0.232  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.074   0.049  -0.764  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.085  -1.249  -0.285  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.221  -1.617   0.731  1.00  0.00           C  
HETATM   13  C   UNL     1       4.304  -0.078   0.006  1.00  0.00           C  
HETATM   14  C   UNL     1       5.506  -0.745  -0.090  1.00  0.00           C  
HETATM   15  C   UNL     1       5.552  -2.127   0.035  1.00  0.00           C  
HETATM   16  C   UNL     1       4.401  -2.850   0.255  1.00  0.00           C  
HETATM   17  C   UNL     1       3.177  -2.195   0.356  1.00  0.00           C  
HETATM   18  C   UNL     1       3.132  -0.797   0.229  1.00  0.00           C  
HETATM   19  C   UNL     1       1.028  -1.585   0.583  1.00  0.00           C  
HETATM   20  C   UNL     1       1.153   0.934   0.340  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.171   1.120   0.502  1.00  0.00           N  
HETATM   22  N   UNL     1      -3.300   2.021  -0.805  1.00  0.00           N1+
HETATM   23  N   UNL     1       1.886  -2.633   0.568  1.00  0.00           N  
HETATM   24  O   UNL     1       1.884   1.889   0.155  1.00  0.00           O  
HETATM   25  C   UNL     1       1.715  -0.423   0.387  1.00  0.00           C  
HETATM   26 CL   UNL     1      -8.186  -2.412  -0.953  1.00  0.00          Cl  
HETATM   27 BR   UNL     1       7.100   0.226  -0.393  1.00  0.00          Br  
HETATM   28  H   UNL     1      -0.023   3.176   0.893  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.864   2.182   2.267  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.434   3.529   1.253  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.376   3.889  -1.038  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.087   2.786  -1.578  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.259   2.195  -2.620  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.691   0.895  -1.545  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.668   0.563   0.571  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.182   1.374   2.405  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.812   2.611   1.291  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.671  -0.978   2.056  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.188   1.988  -0.606  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.751   0.339  -1.554  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.229  -2.630   1.106  1.00  0.00           H  
HETATM   42  H   UNL     1       4.271   0.998  -0.086  1.00  0.00           H  
HETATM   43  H   UNL     1       6.499  -2.640  -0.043  1.00  0.00           H  
HETATM   44  H   UNL     1       4.447  -3.925   0.350  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.039  -1.658   0.732  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.754   0.359   0.650  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.615   2.980  -0.801  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.010   1.439  -1.224  1.00  0.00           H  
HETATM   49  H   UNL     1       1.629  -3.560   0.690  1.00  0.00           H  
CONECT    1    2    3   21   28                                       
CONECT    2    5    1   29   30                                       
CONECT    3    4    1   31   32                                       
CONECT    4   22    3   33   34                                       
CONECT    5    6   22    2   35                                       
CONECT    6    7    5   36   37                                       
CONECT    7    8    8    9    6                                       
CONECT    8   12    7    7   38                                       
CONECT    9   10   10    7   39                                       
CONECT   10   11    9    9   40                                       
CONECT   11   26   12   12   10                                       
CONECT   12   11   11    8   41                                       
CONECT   13   14   14   18   42                                       
CONECT   14   27   13   13   15                                       
CONECT   15   14   16   16   43                                       
CONECT   16   15   15   17   44                                       
CONECT   17   18   18   16   23                                       
CONECT   18   13   25   17   17                                       
CONECT   19   25   25   23   45                                       
CONECT   20   21   24   24   25                                       
CONECT   21    1   20   46                                            
CONECT   22    5    4   47   48                                       
CONECT   23   17   19   49                                            
CONECT   24   20   20                                                 
CONECT   25   20   18   19   19                                       
CONECT   26   11                                                      
CONECT   27   14                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
