COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.645   1.877   0.508  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.830   4.287   0.965  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.675   3.195   0.301  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.484   4.293   0.371  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.103   1.823   0.687  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.554  -3.695  -0.170  1.00  0.00           O  
HETATM    7  C   UNL     1       3.854  -0.015  -0.754  1.00  0.00           C  
HETATM    8  C   UNL     1       0.455   1.219   0.290  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.944   3.024   0.368  1.00  0.00           C  
HETATM   10  N   UNL     1      -5.240  -1.572  -0.735  1.00  0.00           N  
HETATM   11  C   UNL     1       1.675   0.383   0.185  1.00  0.00           C  
HETATM   12  C   UNL     1       2.716   0.768  -0.658  1.00  0.00           C  
HETATM   13  O   UNL     1       3.030  -2.715   1.553  1.00  0.00           O  
HETATM   14  C   UNL     1       4.692   1.571  -2.315  1.00  0.00           C  
HETATM   15  N   UNL     1       2.179   4.087   1.114  1.00  0.00           N  
HETATM   16  N   UNL     1      -0.773   0.788   0.460  1.00  0.00           N  
HETATM   17  C   UNL     1       3.959  -1.183  -0.012  1.00  0.00           C  
HETATM   18  O   UNL     1       4.867   0.357  -1.581  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.697   0.742  -0.218  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.213  -0.629   0.243  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.778  -1.712  -0.682  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.040  -2.622  -0.462  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.537  -2.464  -0.521  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.205  -3.795  -0.171  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.812  -0.265  -1.085  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.225   0.797  -0.150  1.00  0.00           C  
HETATM   27  C   UNL     1       0.395   2.685   0.223  1.00  0.00           C  
HETATM   28  C   UNL     1       1.521   3.605   0.041  1.00  0.00           C  
HETATM   29  C   UNL     1       1.783  -0.790   0.929  1.00  0.00           C  
HETATM   30  C   UNL     1       2.924  -1.570   0.828  1.00  0.00           C  
HETATM   31  C   UNL     1       1.928  -3.053   2.397  1.00  0.00           C  
HETATM   32  O   UNL     1       1.862   3.935  -1.080  1.00  0.00           O  
HETATM   33 BR   UNL     1       5.514  -2.250  -0.147  1.00  0.00          Br  
HETATM   34  H   UNL     1      -3.301   5.257   0.808  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.754   4.088   2.034  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.706   3.270   0.646  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.642   3.315  -0.782  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.880   4.942   0.854  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.340   1.605   1.728  1.00  0.00           H  
HETATM   40  H   UNL     1       2.635   1.678  -1.236  1.00  0.00           H  
HETATM   41  H   UNL     1       3.811   1.487  -2.951  1.00  0.00           H  
HETATM   42  H   UNL     1       4.561   2.400  -1.620  1.00  0.00           H  
HETATM   43  H   UNL     1       5.571   1.751  -2.934  1.00  0.00           H  
HETATM   44  H   UNL     1       1.907   3.824   2.007  1.00  0.00           H  
HETATM   45  H   UNL     1       2.924   4.696   0.993  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.378   0.913  -1.246  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.124  -0.660   0.212  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.553  -0.811   1.263  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.518  -2.696  -0.294  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.363  -1.590  -1.683  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.850  -1.702   0.193  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.832  -2.162  -1.526  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.892  -4.557  -0.886  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.910  -4.096   0.834  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.288  -3.680  -0.214  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.563  -0.022  -2.117  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.896  -0.298  -0.966  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.551   0.602   0.872  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.568   1.784  -0.460  1.00  0.00           H  
HETATM   60  H   UNL     1       0.979  -1.092   1.583  1.00  0.00           H  
HETATM   61  H   UNL     1       1.772  -2.258   3.127  1.00  0.00           H  
HETATM   62  H   UNL     1       1.029  -3.171   1.792  1.00  0.00           H  
HETATM   63  H   UNL     1       2.141  -3.986   2.917  1.00  0.00           H  
CONECT    1   16    9    5                                            
CONECT    2    4    3   34   35                                       
CONECT    3    5    2   36   37                                       
CONECT    4    9    2   38                                            
CONECT    5    1   19    3   39                                       
CONECT    6   22   22                                                 
CONECT    7   18   17   17   12                                       
CONECT    8   11   27   16   16                                       
CONECT    9   27   27    1    4                                       
CONECT   10   25   22   21                                            
CONECT   11   12   12   29    8                                       
CONECT   12    7   11   11   40                                       
CONECT   13   30   31                                                 
CONECT   14   18   41   42   43                                       
CONECT   15   28   44   45                                            
CONECT   16    8    8    1                                            
CONECT   17   33    7    7   30                                       
CONECT   18   14    7                                                 
CONECT   19   26    5   20   46                                       
CONECT   20   19   21   47   48                                       
CONECT   21   10   20   49   50                                       
CONECT   22   23   10    6    6                                       
CONECT   23   24   22   51   52                                       
CONECT   24   23   53   54   55                                       
CONECT   25   26   10   56   57                                       
CONECT   26   25   19   58   59                                       
CONECT   27   28    8    9    9                                       
CONECT   28   15   27   32   32                                       
CONECT   29   30   30   11   60                                       
CONECT   30   17   13   29   29                                       
CONECT   31   13   61   62   63                                       
CONECT   32   28   28                                                 
CONECT   33   17                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   29                                                      
CONECT   61   31                                                      
CONECT   62   31                                                      
CONECT   63   31                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
