COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.591   1.450 -10.938  1.00  0.00           C  
HETATM    2  C   UNL     1       0.656   1.019 -10.128  1.00  0.00           C  
HETATM    3  C   UNL     1       0.889  -0.214  -9.296  1.00  0.00           C  
HETATM    4  N   UNL     1       0.782   0.127  -7.871  1.00  0.00           N  
HETATM    5  C   UNL     1       1.019  -1.113  -7.121  1.00  0.00           C  
HETATM    6  C   UNL     1       0.923  -0.832  -5.643  1.00  0.00           C  
HETATM    7  C   UNL     1       0.029  -1.453  -4.915  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.066  -1.172  -3.437  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.369  -0.672  -3.131  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.395  -0.438  -1.793  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.544   0.061  -1.207  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.574   0.296   0.162  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.523   0.763   0.998  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.070   0.819   2.262  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.790   0.386   2.313  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.429   0.029   0.928  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.278  -0.468   0.323  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.265  -0.699  -1.024  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.927   0.290   3.515  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.306  -0.518   4.585  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.499  -0.605   5.701  1.00  0.00           C  
HETATM   22  C   UNL     1       0.685   0.108   5.758  1.00  0.00           C  
HETATM   23  C   UNL     1       1.066   0.912   4.698  1.00  0.00           C  
HETATM   24  C   UNL     1       0.269   1.002   3.575  1.00  0.00           C  
HETATM   25 BR   UNL     1       1.786  -0.014   7.291  1.00  0.00          Br  
HETATM   26  C   UNL     1       1.904   1.025  -7.567  1.00  0.00           C  
HETATM   27  H   UNL     1       1.424   2.335 -11.534  1.00  0.00           H  
HETATM   28  H   UNL     1       2.530   0.921 -11.009  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.282   1.549 -10.057  1.00  0.00           H  
HETATM   30  H   UNL     1       1.885  -0.608  -9.501  1.00  0.00           H  
HETATM   31  H   UNL     1       0.142  -0.968  -9.546  1.00  0.00           H  
HETATM   32  H   UNL     1       0.270  -1.854  -7.399  1.00  0.00           H  
HETATM   33  H   UNL     1       2.013  -1.494  -7.354  1.00  0.00           H  
HETATM   34  H   UNL     1       1.591  -0.117  -5.185  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.638  -2.168  -5.373  1.00  0.00           H  
HETATM   36  H   UNL     1       0.109  -2.093  -2.880  1.00  0.00           H  
HETATM   37  H   UNL     1       0.682  -0.431  -3.159  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.417   0.261  -1.810  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.644   1.159   3.112  1.00  0.00           H  
HETATM   40  H   UNL     1       0.600  -0.672   0.916  1.00  0.00           H  
HETATM   41  H   UNL     1       0.626  -1.086  -1.494  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.230  -1.075   4.541  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.792  -1.231   6.531  1.00  0.00           H  
HETATM   44  H   UNL     1       1.991   1.467   4.748  1.00  0.00           H  
HETATM   45  H   UNL     1       0.567   1.630   2.748  1.00  0.00           H  
HETATM   46  H   UNL     1       1.868   1.308  -6.515  1.00  0.00           H  
HETATM   47  H   UNL     1       2.845   0.515  -7.774  1.00  0.00           H  
HETATM   48  H   UNL     1       1.832   1.919  -8.187  1.00  0.00           H  
CONECT    1    2    2   27   28                                       
CONECT    2    1    1    3   29                                       
CONECT    3    2    4   30   31                                       
CONECT    4    3    5   26                                            
CONECT    5    4    6   32   33                                       
CONECT    6    5    7    7   34                                       
CONECT    7    6    6    8   35                                       
CONECT    8    7    9   36   37                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   11   18                                       
CONECT   11   10   10   12   38                                       
CONECT   12   11   13   16   16                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   15   39                                       
CONECT   15   14   14   16   19                                       
CONECT   16   12   12   15   17                                       
CONECT   17   16   18   18   40                                       
CONECT   18   10   17   17   41                                       
CONECT   19   15   20   20   24                                       
CONECT   20   19   19   21   42                                       
CONECT   21   20   22   22   43                                       
CONECT   22   21   21   23   25                                       
CONECT   23   22   24   24   44                                       
CONECT   24   19   23   23   45                                       
CONECT   25   22                                                      
CONECT   26    4   46   47   48                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38   11                                                      
CONECT   39   14                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
