COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.936  -2.326  10.012  1.00  0.00           O  
HETATM    2  C   UNL     1       3.413  -2.612   8.791  1.00  0.00           C  
HETATM    3  O   UNL     1       4.296  -3.402   8.525  1.00  0.00           O  
HETATM    4  C   UNL     1       2.687  -1.794   7.740  1.00  0.00           C  
HETATM    5  O   UNL     1       1.814  -1.024   8.107  1.00  0.00           O  
HETATM    6  N   UNL     1       3.147  -2.056   6.452  1.00  0.00           N  
HETATM    7  C   UNL     1       2.710  -1.489   5.254  1.00  0.00           C  
HETATM    8  C   UNL     1       1.692  -0.536   5.265  1.00  0.00           C  
HETATM    9  C   UNL     1       1.254   0.031   4.067  1.00  0.00           C  
HETATM   10  C   UNL     1       1.841  -0.363   2.875  1.00  0.00           C  
HETATM   11  C   UNL     1       2.854  -1.309   2.849  1.00  0.00           C  
HETATM   12  C   UNL     1       3.291  -1.875   4.046  1.00  0.00           C  
HETATM   13  C   UNL     1       1.367   0.250   1.579  1.00  0.00           C  
HETATM   14  C   UNL     1       0.223  -0.530   0.935  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.950  -0.588   1.775  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.957   0.365   1.727  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.964   1.343   0.981  1.00  0.00           O  
HETATM   18  CA  UNL     1      -3.055   0.093   2.750  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.515   1.357   3.263  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.956   1.529   4.570  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.003   0.644   5.421  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.379   2.962   4.837  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.166   3.372   6.288  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.767   3.269   6.624  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.878   4.321   6.463  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.168   5.433   6.028  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.472   3.967   6.864  1.00  0.00           C  
HETATM   28 BR   UNL     1       0.621   4.160   5.275  1.00  0.00          Br  
HETATM   29  C   UNL     1      -4.197  -0.725   2.157  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.789  -0.028   1.067  1.00  0.00           O  
HETATM   31  H   UNL     1       3.386  -2.839  10.716  1.00  0.00           H  
HETATM   32  H   UNL     1       3.899  -2.750   6.374  1.00  0.00           H  
HETATM   33  H   UNL     1       1.232  -0.226   6.200  1.00  0.00           H  
HETATM   34  H   UNL     1       0.460   0.773   4.085  1.00  0.00           H  
HETATM   35  H   UNL     1       3.312  -1.616   1.913  1.00  0.00           H  
HETATM   36  H   UNL     1       4.085  -2.617   4.026  1.00  0.00           H  
HETATM   37  H   UNL     1       2.215   0.291   0.884  1.00  0.00           H  
HETATM   38  H   UNL     1       1.066   1.291   1.750  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.080  -0.044   0.002  1.00  0.00           H  
HETATM   40  H   UNL     1       0.516  -1.559   0.704  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.013  -1.347   2.448  1.00  0.00           H  
HETATM   42  HA  UNL     1      -2.621  -0.445   3.600  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.519   2.162   2.640  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.807   3.621   4.173  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.438   3.065   4.569  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.747   2.729   6.959  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.503   4.401   6.451  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.425   2.370   6.953  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.370   2.939   7.219  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.105   4.664   7.620  1.00  0.00           H  
HETATM   51  H1  UNL     1      -4.976  -0.912   2.903  1.00  0.00           H  
HETATM   52  H2  UNL     1      -3.829  -1.688   1.786  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.876   0.898   1.343  1.00  0.00           H  
CONECT    1    2   31                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4    7   32                                            
CONECT    7    6    8    8   12                                       
CONECT    8    7    7    9   33                                       
CONECT    9    8   10   10   34                                       
CONECT   10    9    9   11   13                                       
CONECT   11   10   12   12   35                                       
CONECT   12    7   11   11   36                                       
CONECT   13   10   14   37   38                                       
CONECT   14   13   15   39   40                                       
CONECT   15   14   16   41                                            
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   29   42                                       
CONECT   19   18   20   43                                            
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   44   45                                       
CONECT   23   22   24   46   47                                       
CONECT   24   23   25   48                                            
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   49   50                                       
CONECT   28   27                                                      
CONECT   29   18   30   51   52                                       
CONECT   30   29   53                                                 
CONECT   31    1                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
