COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.465   1.534   0.646  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.148   1.834   0.840  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.168   0.884   0.573  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.531  -0.392   0.101  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.878  -0.695  -0.095  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.845   0.270   0.178  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.563   0.558   0.167  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.988  -0.720   0.516  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.323  -1.048   0.443  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.253  -0.094   0.018  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.823   1.189  -0.331  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.486   1.510  -0.256  1.00  0.00           C  
HETATM   13  C   UNL     1       3.931   3.505   0.456  1.00  0.00           C  
HETATM   14  C   UNL     1       2.923   2.472  -0.052  1.00  0.00           C  
HETATM   15  C   UNL     1       2.040   3.108  -1.128  1.00  0.00           C  
HETATM   16  C   UNL     1       3.922   4.616  -1.781  1.00  0.00           C  
HETATM   17  C   UNL     1     -10.643  -0.431  -0.059  1.00  0.00           C  
HETATM   18  N   UNL     1       0.615  -1.097  -0.070  1.00  0.00           N  
HETATM   19  C   UNL     1       1.642  -0.351   0.260  1.00  0.00           C  
HETATM   20  N   UNL     1       1.208   0.884   0.664  1.00  0.00           N  
HETATM   21  C   UNL     1       3.055  -0.779   0.204  1.00  0.00           C  
HETATM   22  C   UNL     1       2.049   1.997   1.110  1.00  0.00           C  
HETATM   23  C   UNL     1       2.941   1.532   2.262  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.273  -0.043  -0.022  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.211   0.887   0.247  1.00  0.00           N  
HETATM   26  O   UNL     1      -4.605  -1.140  -0.429  1.00  0.00           O  
HETATM   27  C   UNL     1       4.071   0.115   0.550  1.00  0.00           C  
HETATM   28  C   UNL     1       5.391  -0.288   0.497  1.00  0.00           C  
HETATM   29  C   UNL     1       5.708  -1.587   0.097  1.00  0.00           C  
HETATM   30  C   UNL     1       4.699  -2.474  -0.247  1.00  0.00           C  
HETATM   31  C   UNL     1       3.378  -2.079  -0.189  1.00  0.00           C  
HETATM   32  O   UNL     1       7.065  -1.730   0.123  1.00  0.00           O  
HETATM   33  C   UNL     1       7.552  -0.648   0.938  1.00  0.00           C  
HETATM   34  O   UNL     1       6.551   0.377   0.778  1.00  0.00           O  
HETATM   35 BR   UNL     1       2.007  -3.293  -0.660  1.00  0.00          Br  
HETATM   36  C   UNL     1       4.805   3.981  -0.706  1.00  0.00           C  
HETATM   37  C   UNL     1       2.915   3.583  -2.290  1.00  0.00           C  
HETATM   38  N   UNL     1     -11.745  -0.698  -0.120  1.00  0.00           N  
HETATM   39  H   UNL     1      -3.221   2.276   0.860  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.865   2.812   1.202  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.170  -1.670  -0.456  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.269  -1.457   0.843  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.652  -2.040   0.713  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.538   1.929  -0.660  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.153   2.501  -0.526  1.00  0.00           H  
HETATM   46  H   UNL     1       3.397   4.355   0.881  1.00  0.00           H  
HETATM   47  H   UNL     1       4.560   3.052   1.223  1.00  0.00           H  
HETATM   48  H   UNL     1       3.458   1.622  -0.477  1.00  0.00           H  
HETATM   49  H   UNL     1       1.323   2.372  -1.491  1.00  0.00           H  
HETATM   50  H   UNL     1       1.506   3.958  -0.704  1.00  0.00           H  
HETATM   51  H   UNL     1       3.388   5.466  -1.357  1.00  0.00           H  
HETATM   52  H   UNL     1       4.545   4.955  -2.609  1.00  0.00           H  
HETATM   53  H   UNL     1       1.416   2.818   1.448  1.00  0.00           H  
HETATM   54  H   UNL     1       3.872   2.099   2.252  1.00  0.00           H  
HETATM   55  H   UNL     1       2.427   1.696   3.209  1.00  0.00           H  
HETATM   56  H   UNL     1       3.161   0.471   2.147  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.945   1.786   0.495  1.00  0.00           H  
HETATM   58  H   UNL     1       3.825   1.120   0.859  1.00  0.00           H  
HETATM   59  H   UNL     1       4.948  -3.478  -0.556  1.00  0.00           H  
HETATM   60  H   UNL     1       7.626  -0.957   1.980  1.00  0.00           H  
HETATM   61  H   UNL     1       8.517  -0.297   0.572  1.00  0.00           H  
HETATM   62  H   UNL     1       5.523   4.716  -0.343  1.00  0.00           H  
HETATM   63  H   UNL     1       5.339   3.130  -1.130  1.00  0.00           H  
HETATM   64  H   UNL     1       3.449   2.733  -2.714  1.00  0.00           H  
HETATM   65  H   UNL     1       2.286   4.036  -3.057  1.00  0.00           H  
CONECT    1    2    6    6   39                                       
CONECT    2    3    3    1   40                                       
CONECT    3   20    2    2    4                                       
CONECT    4    3   18    5    5                                       
CONECT    5    4    4    6   41                                       
CONECT    6    1    1    5   24                                       
CONECT    7   25   12   12    8                                       
CONECT    8    7    9    9   42                                       
CONECT    9    8    8   10   43                                       
CONECT   10   11   11    9   17                                       
CONECT   11   12   10   10   44                                       
CONECT   12    7    7   11   45                                       
CONECT   13   36   14   46   47                                       
CONECT   14   13   22   15   48                                       
CONECT   15   14   37   49   50                                       
CONECT   16   36   37   51   52                                       
CONECT   17   10   38   38   38                                       
CONECT   18   19   19    4                                            
CONECT   19   21   20   18   18                                       
CONECT   20   22   19    3                                            
CONECT   21   31   31   27   19                                       
CONECT   22   23   14   20   53                                       
CONECT   23   22   54   55   56                                       
CONECT   24    6   26   26   25                                       
CONECT   25   24    7   57                                            
CONECT   26   24   24                                                 
CONECT   27   28   28   21   58                                       
CONECT   28   29   34   27   27                                       
CONECT   29   32   30   30   28                                       
CONECT   30   29   29   31   59                                       
CONECT   31   30   35   21   21                                       
CONECT   32   33   29                                                 
CONECT   33   32   34   60   61                                       
CONECT   34   33   28                                                 
CONECT   35   31                                                      
CONECT   36   13   16   62   63                                       
CONECT   37   16   15   64   65                                       
CONECT   38   17   17   17                                            
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    5                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   25                                                      
CONECT   58   27                                                      
CONECT   59   30                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
CONECT   62   36                                                      
CONECT   63   36                                                      
CONECT   64   37                                                      
CONECT   65   37                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
