COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.898  -3.598  -0.755  1.00  0.00           O  
HETATM    2  C   UNL     1       5.059  -2.736  -0.598  1.00  0.00           C  
HETATM    3  N   UNL     1       5.284  -1.419  -0.459  1.00  0.00           N  
HETATM    4  C   UNL     1       3.561  -2.942  -0.528  1.00  0.00           C  
HETATM    5  C   UNL     1       3.008  -1.551  -0.324  1.00  0.00           C  
HETATM    6  C   UNL     1       4.102  -0.695  -0.295  1.00  0.00           C  
HETATM    7  C   UNL     1       3.888   0.669  -0.118  1.00  0.00           C  
HETATM    8  C   UNL     1       2.603   1.156   0.026  1.00  0.00           C  
HETATM    9 BR   UNL     1       2.321   3.010   0.266  1.00  0.00          Br  
HETATM   10  C   UNL     1       1.522   0.294  -0.006  1.00  0.00           C  
HETATM   11  C   UNL     1       1.728  -1.064  -0.182  1.00  0.00           C  
HETATM   12  C   UNL     1       0.554  -2.007  -0.217  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.674  -1.270   0.090  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.520  -0.737  -0.812  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.383  -0.793  -2.020  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.169  -1.005   1.365  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.352  -0.282   1.196  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.073   0.130   2.307  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.619  -0.178   3.574  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.446  -0.895   3.741  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.723  -1.312   2.641  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.541  -0.132  -0.175  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.659   0.564  -0.816  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.421  -0.413  -1.714  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.053  -1.486  -0.866  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.909  -1.472   0.333  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.776  -2.459  -1.444  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.123   1.721  -1.661  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.469   2.760  -0.746  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.933   3.917  -1.591  1.00  0.00           C  
HETATM   31  H   UNL     1       6.167  -1.017  -0.472  1.00  0.00           H  
HETATM   32  H   UNL     1       3.190  -3.368  -1.460  1.00  0.00           H  
HETATM   33  H   UNL     1       3.303  -3.585   0.314  1.00  0.00           H  
HETATM   34  H   UNL     1       4.727   1.349  -0.092  1.00  0.00           H  
HETATM   35  H   UNL     1       0.519   0.679   0.106  1.00  0.00           H  
HETATM   36  H   UNL     1       0.473  -2.450  -1.210  1.00  0.00           H  
HETATM   37  H   UNL     1       0.698  -2.795   0.521  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.988   0.689   2.181  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.181   0.143   4.439  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.097  -1.131   4.735  1.00  0.00           H  
HETATM   41  H   UNL     1       0.191  -1.872   2.775  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.331   0.953  -0.051  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.198   0.125  -2.258  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.730  -0.869  -2.423  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.162  -3.125  -0.859  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.384   1.344  -2.367  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.945   2.184  -2.207  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.208   3.138  -0.040  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.647   2.297  -0.200  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.194   3.539  -2.298  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.755   4.380  -2.137  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.467   4.657  -0.940  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    3    1    1                                       
CONECT    3    6    2   31                                            
CONECT    4    5    2   32   33                                       
CONECT    5   11   11    6    4                                       
CONECT    6    7    7    5    3                                       
CONECT    7    8    6    6   34                                       
CONECT    8    9   10   10    7                                       
CONECT    9    8                                                      
CONECT   10    8    8   11   35                                       
CONECT   11   10   12    5    5                                       
CONECT   12   13   11   36   37                                       
CONECT   13   16   14   12                                            
CONECT   14   22   13   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   17   17   21   13                                       
CONECT   17   18   22   16   16                                       
CONECT   18   19   19   17   38                                       
CONECT   19   18   18   20   39                                       
CONECT   20   19   21   21   40                                       
CONECT   21   20   20   16   41                                       
CONECT   22   17   23   14                                            
CONECT   23   24   28   22   42                                       
CONECT   24   25   23   43   44                                       
CONECT   25   26   26   24   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   45                                                 
CONECT   28   23   29   46   47                                       
CONECT   29   28   30   48   49                                       
CONECT   30   29   50   51   52                                       
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    7                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
