COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.143   2.229  -0.156  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.738   2.500   0.875  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.833   1.684   1.082  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.050   0.592   0.254  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.165   0.322  -0.780  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.074   1.144  -0.986  1.00  0.00           C  
HETATM    7  CA  UNL     1       2.524   2.597   0.431  1.00  0.00           C  
HETATM    8  C   UNL     1       1.336   3.121  -0.379  1.00  0.00           C  
HETATM    9  N   UNL     1       2.921   1.282  -0.080  1.00  0.00           N  
HETATM   10  C   UNL     1       3.562   0.412   0.726  1.00  0.00           C  
HETATM   11  C   UNL     1       3.680   3.555   0.305  1.00  0.00           C  
HETATM   12  O   UNL     1       3.810   0.717   1.873  1.00  0.00           O  
HETATM   13  O   UNL     1       4.728   3.178  -0.163  1.00  0.00           O  
HETATM   14  OXT UNL     1       3.545   4.826   0.713  1.00  0.00           O  
HETATM   15  O   UNL     1      -3.127  -0.212   0.455  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.148   0.310  -0.275  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.399  -0.290  -0.247  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.437   0.246  -0.986  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.226   1.371  -1.761  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.979   1.967  -1.794  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.939   1.439  -1.053  1.00  0.00           C  
HETATM   22 BR   UNL     1      -5.688  -1.829   0.813  1.00  0.00          Br  
HETATM   23  C   UNL     1       3.847  -3.865   0.317  1.00  0.00           C  
HETATM   24  C   UNL     1       3.142  -3.079  -0.791  1.00  0.00           C  
HETATM   25  C   UNL     1       5.090  -3.099   0.775  1.00  0.00           C  
HETATM   26  C   UNL     1       4.675  -1.726   1.308  1.00  0.00           C  
HETATM   27  C   UNL     1       2.728  -1.706  -0.257  1.00  0.00           C  
HETATM   28  C   UNL     1       3.970  -0.940   0.200  1.00  0.00           C  
HETATM   29  C   UNL     1       6.043  -2.919  -0.409  1.00  0.00           C  
HETATM   30  C   UNL     1       5.338  -2.134  -1.516  1.00  0.00           C  
HETATM   31  C   UNL     1       4.095  -2.900  -1.974  1.00  0.00           C  
HETATM   32  C   UNL     1       4.923  -0.761  -0.983  1.00  0.00           C  
HETATM   33  H   UNL     1      -0.569   3.350   1.520  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.521   1.896   1.888  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.331  -0.527  -1.426  1.00  0.00           H  
HETATM   36  H   UNL     1       0.616   0.935  -1.790  1.00  0.00           H  
HETATM   37  HA  UNL     1       2.238   2.508   1.479  1.00  0.00           H  
HETATM   38  H   UNL     1       1.097   4.135  -0.059  1.00  0.00           H  
HETATM   39  H   UNL     1       1.593   3.126  -1.439  1.00  0.00           H  
HETATM   40  H   UNL     1       2.723   1.038  -0.997  1.00  0.00           H  
HETATM   41  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.413  -0.216  -0.961  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.037   1.786  -2.341  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.817   2.846  -2.401  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.966   1.905  -1.079  1.00  0.00           H  
HETATM   46  H   UNL     1       4.142  -4.843  -0.063  1.00  0.00           H  
HETATM   47  H   UNL     1       3.168  -3.993   1.160  1.00  0.00           H  
HETATM   48  H   UNL     1       2.257  -3.625  -1.117  1.00  0.00           H  
HETATM   49  H   UNL     1       5.592  -3.659   1.564  1.00  0.00           H  
HETATM   50  H   UNL     1       5.560  -1.180   1.634  1.00  0.00           H  
HETATM   51  H   UNL     1       3.996  -1.854   2.151  1.00  0.00           H  
HETATM   52  H   UNL     1       2.049  -1.834   0.586  1.00  0.00           H  
HETATM   53  H   UNL     1       2.226  -1.146  -1.046  1.00  0.00           H  
HETATM   54  H   UNL     1       6.928  -2.374  -0.083  1.00  0.00           H  
HETATM   55  H   UNL     1       6.338  -3.897  -0.789  1.00  0.00           H  
HETATM   56  H   UNL     1       6.017  -2.006  -2.360  1.00  0.00           H  
HETATM   57  H   UNL     1       3.594  -2.340  -2.763  1.00  0.00           H  
HETATM   58  H   UNL     1       4.391  -3.878  -2.354  1.00  0.00           H  
HETATM   59  H   UNL     1       4.421  -0.201  -1.772  1.00  0.00           H  
HETATM   60  H   UNL     1       5.809  -0.215  -0.657  1.00  0.00           H  
CONECT    1    2    2    6    8                                       
CONECT    2    1    1    3   33                                       
CONECT    3    2    4    4   34                                       
CONECT    4    3    3    5   15                                       
CONECT    5    4    6    6   35                                       
CONECT    6    1    5    5   36                                       
CONECT    7    8    9   11   37                                       
CONECT    8    1    7   38   39                                       
CONECT    9    7   10   40                                            
CONECT   10    9   12   12   28                                       
CONECT   11    7   13   14   14                                       
CONECT   12   10   10                                                 
CONECT   13   11   41                                                 
CONECT   14   11   11                                                 
CONECT   15    4   16                                                 
CONECT   16   15   17   17   21                                       
CONECT   17   16   16   18   22                                       
CONECT   18   17   19   19   42                                       
CONECT   19   18   18   20   43                                       
CONECT   20   19   21   21   44                                       
CONECT   21   16   20   20   45                                       
CONECT   22   17                                                      
CONECT   23   24   25   46   47                                       
CONECT   24   23   27   31   48                                       
CONECT   25   23   26   29   49                                       
CONECT   26   25   28   50   51                                       
CONECT   27   24   28   52   53                                       
CONECT   28   10   26   27   32                                       
CONECT   29   25   30   54   55                                       
CONECT   30   29   31   32   56                                       
CONECT   31   24   30   57   58                                       
CONECT   32   28   30   59   60                                       
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   13                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
