COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.539  -0.216  -0.399  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.611   0.585  -0.639  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.082   1.856  -0.951  1.00  0.00           C  
HETATM    4  C   UNL     1       0.309   2.006  -0.970  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.969   2.991  -1.253  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.975   0.379  -0.612  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.486  -0.880  -0.280  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.667  -0.984   0.445  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.324  -3.272  -0.350  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.817  -2.030  -0.679  1.00  0.00           C  
HETATM   11  C   UNL     1       2.757  -1.068  -0.009  1.00  0.00           C  
HETATM   12  C   UNL     1       5.008  -1.873  -0.224  1.00  0.00           C  
HETATM   13  C   UNL     1       4.613   0.373   0.509  1.00  0.00           C  
HETATM   14  C   UNL     1       3.245   0.160   0.407  1.00  0.00           C  
HETATM   15  C   UNL     1       7.304   0.778   1.134  1.00  0.00           C  
HETATM   16  C   UNL     1       4.150  -4.305  -1.041  1.00  0.00           C  
HETATM   17  N   UNL     1       1.071   0.964  -0.693  1.00  0.00           N  
HETATM   18  N   UNL     1      -0.772  -0.410  -0.373  1.00  0.00           N  
HETATM   19  O   UNL     1      -3.172   2.878  -1.109  1.00  0.00           O  
HETATM   20  N   UNL     1      -1.449   4.155  -1.690  1.00  0.00           N  
HETATM   21  C   UNL     1      -5.169  -2.229   0.771  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.496  -3.371   0.377  1.00  0.00           C  
HETATM   23 BR   UNL     1      -5.587   0.578   0.985  1.00  0.00          Br  
HETATM   24  N   UNL     1       1.376  -1.276  -0.116  1.00  0.00           N  
HETATM   25  C   UNL     1       3.647  -2.093  -0.326  1.00  0.00           C  
HETATM   26  C   UNL     1       5.491  -0.641   0.192  1.00  0.00           C  
HETATM   27  C   UNL     1       5.092   1.722   0.977  1.00  0.00           C  
HETATM   28  N   UNL     1       6.506   1.911   0.640  1.00  0.00           N  
HETATM   29  C   UNL     1       6.984  -0.449   0.278  1.00  0.00           C  
HETATM   30  C   UNL     1       7.010   3.183   1.175  1.00  0.00           C  
HETATM   31  O   UNL     1       3.178  -3.303  -0.733  1.00  0.00           O  
HETATM   32  H   UNL     1       0.754   2.962  -1.204  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.580   1.107  -0.823  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.804  -4.166  -0.660  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.901  -1.953  -1.246  1.00  0.00           H  
HETATM   36  H   UNL     1       5.700  -2.666  -0.469  1.00  0.00           H  
HETATM   37  H   UNL     1       2.558   0.955   0.652  1.00  0.00           H  
HETATM   38  H   UNL     1       8.364   1.015   1.053  1.00  0.00           H  
HETATM   39  H   UNL     1       7.053   0.573   2.175  1.00  0.00           H  
HETATM   40  H   UNL     1       3.643  -5.219  -1.351  1.00  0.00           H  
HETATM   41  H   UNL     1       4.792  -3.953  -1.848  1.00  0.00           H  
HETATM   42  H   UNL     1       4.755  -4.507  -0.157  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.490   4.245  -1.805  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.034   4.903  -1.890  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.087  -2.310   1.334  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.890  -4.344   0.633  1.00  0.00           H  
HETATM   47  H   UNL     1       1.009  -2.165   0.008  1.00  0.00           H  
HETATM   48  H   UNL     1       4.500   2.501   0.496  1.00  0.00           H  
HETATM   49  H   UNL     1       4.967   1.793   2.058  1.00  0.00           H  
HETATM   50  H   UNL     1       7.391  -0.308  -0.723  1.00  0.00           H  
HETATM   51  H   UNL     1       7.436  -1.332   0.729  1.00  0.00           H  
HETATM   52  H   UNL     1       6.971   3.159   2.264  1.00  0.00           H  
HETATM   53  H   UNL     1       8.040   3.331   0.851  1.00  0.00           H  
HETATM   54  H   UNL     1       6.392   4.002   0.807  1.00  0.00           H  
CONECT    1   18   18   17   24                                       
CONECT    2    6    3    3   18                                       
CONECT    3    5    2    2    4                                       
CONECT    4    3   17   17   32                                       
CONECT    5   19   19   20    3                                       
CONECT    6    7    2   33                                            
CONECT    7    8    6   10   10                                       
CONECT    8   23   21   21    7                                       
CONECT    9   22   22   10   34                                       
CONECT   10    7    7    9   35                                       
CONECT   11   24   14   14   25                                       
CONECT   12   25   25   26   36                                       
CONECT   13   14   27   26   26                                       
CONECT   14   11   11   13   37                                       
CONECT   15   28   29   38   39                                       
CONECT   16   31   40   41   42                                       
CONECT   17    4    4    1                                            
CONECT   18    2    1    1                                            
CONECT   19    5    5                                                 
CONECT   20    5   43   44                                            
CONECT   21    8    8   22   45                                       
CONECT   22   21    9    9   46                                       
CONECT   23    8                                                      
CONECT   24    1   11   47                                            
CONECT   25   11   31   12   12                                       
CONECT   26   13   13   12   29                                       
CONECT   27   13   28   48   49                                       
CONECT   28   27   30   15                                            
CONECT   29   26   15   50   51                                       
CONECT   30   28   52   53   54                                       
CONECT   31   25   16                                                 
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
