COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.698  -0.487  -0.210  1.00  0.00           N  
HETATM    2  C   UNL     1       3.598   0.423  -0.555  1.00  0.00           C  
HETATM    3  C   UNL     1       5.912  -0.165  -0.971  1.00  0.00           C  
HETATM    4  C   UNL     1       7.016  -1.162  -0.614  1.00  0.00           C  
HETATM    5  C   UNL     1       4.306  -1.888  -0.411  1.00  0.00           C  
HETATM    6  C   UNL     1       3.159  -2.225   0.507  1.00  0.00           C  
HETATM    7  C   UNL     1       0.804  -2.350   0.923  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.765   0.908   0.808  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.130   3.954  -0.539  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.492  -0.821  -0.496  1.00  0.00           C  
HETATM   11  C   UNL     1       2.357  -3.023   2.617  1.00  0.00           C  
HETATM   12  C   UNL     1       3.409  -2.713   1.776  1.00  0.00           C  
HETATM   13  C   UNL     1       6.372   1.253  -0.626  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.616  -2.149   0.460  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.346  -0.375   0.479  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.043   1.320   0.485  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.906   0.458  -0.166  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.213  -1.237  -0.181  1.00  0.00           C  
HETATM   19  C   UNL     1       1.054  -2.845   2.190  1.00  0.00           C  
HETATM   20  C   UNL     1       5.256   2.244  -0.966  1.00  0.00           C  
HETATM   21  C   UNL     1       3.989   1.858  -0.197  1.00  0.00           C  
HETATM   22  C   UNL     1       1.856  -2.041   0.082  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.056  -0.796   0.809  1.00  0.00           N  
HETATM   24  O   UNL     1       7.541   1.572  -1.383  1.00  0.00           O  
HETATM   25  O   UNL     1       5.659   3.563  -0.595  1.00  0.00           O  
HETATM   26  O   UNL     1       2.927   2.745  -0.553  1.00  0.00           O  
HETATM   27  O   UNL     1       7.353  -1.024   0.768  1.00  0.00           O  
HETATM   28  O   UNL     1      -3.775   3.300   2.024  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.987   2.836   1.018  1.00  0.00           O  
HETATM   30  S   UNL     1      -4.575   2.947   0.904  1.00  0.00           S  
HETATM   31 BR   UNL     1      -5.673  -1.994  -1.393  1.00  0.00          Br  
HETATM   32  H   UNL     1       3.395   0.357  -1.624  1.00  0.00           H  
HETATM   33  H   UNL     1       2.705   0.140   0.002  1.00  0.00           H  
HETATM   34  H   UNL     1       5.698  -0.228  -2.038  1.00  0.00           H  
HETATM   35  H   UNL     1       6.666  -2.176  -0.803  1.00  0.00           H  
HETATM   36  H   UNL     1       7.897  -0.961  -1.224  1.00  0.00           H  
HETATM   37  H   UNL     1       3.998  -2.034  -1.446  1.00  0.00           H  
HETATM   38  H   UNL     1       5.152  -2.538  -0.188  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.093   1.581   1.321  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.053   3.906  -0.697  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.644   3.572  -1.421  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.426   4.988  -0.365  1.00  0.00           H  
HETATM   43  H   UNL     1       2.553  -3.409   3.607  1.00  0.00           H  
HETATM   44  H   UNL     1       4.426  -2.853   2.109  1.00  0.00           H  
HETATM   45  H   UNL     1       6.600   1.312   0.438  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.667  -2.281  -0.621  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.263  -2.878   0.946  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.905   0.783  -0.417  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.890  -2.235  -0.438  1.00  0.00           H  
HETATM   50  H   UNL     1       0.232  -3.086   2.847  1.00  0.00           H  
HETATM   51  H   UNL     1       5.055   2.212  -2.037  1.00  0.00           H  
HETATM   52  H   UNL     1       4.179   1.927   0.874  1.00  0.00           H  
HETATM   53  H   UNL     1       1.661  -1.655  -0.908  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.452  -0.193   1.269  1.00  0.00           H  
HETATM   55  H   UNL     1       7.889   2.458  -1.213  1.00  0.00           H  
HETATM   56  H   UNL     1       4.998   4.244  -0.782  1.00  0.00           H  
HETATM   57  H   UNL     1       2.092   2.559  -0.102  1.00  0.00           H  
HETATM   58  H   UNL     1       8.048  -1.627   1.066  1.00  0.00           H  
CONECT    1    2    5    3                                            
CONECT    2   21    1   32   33                                       
CONECT    3   13    1    4   34                                       
CONECT    4   27    3   35   36                                       
CONECT    5    1    6   37   38                                       
CONECT    6    5   22   22   12                                       
CONECT    7   22   14   19   19                                       
CONECT    8   16   15   15   39                                       
CONECT    9   30   40   41   42                                       
CONECT   10   17   31   18   18                                       
CONECT   11   12   12   19   43                                       
CONECT   12    6   11   11   44                                       
CONECT   13   20   24    3   45                                       
CONECT   14   23    7   46   47                                       
CONECT   15    8    8   18   23                                       
CONECT   16   30   17   17    8                                       
CONECT   17   16   16   10   48                                       
CONECT   18   10   10   15   49                                       
CONECT   19    7    7   11   50                                       
CONECT   20   25   21   13   51                                       
CONECT   21   26   20    2   52                                       
CONECT   22    6    6    7   53                                       
CONECT   23   15   14   54                                            
CONECT   24   13   55                                                 
CONECT   25   20   56                                                 
CONECT   26   21   57                                                 
CONECT   27    4   58                                                 
CONECT   28   30   30                                                 
CONECT   29   30   30                                                 
CONECT   30   28   28    9   29                                       
CONECT   30   29   16                                                 
CONECT   31   10                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
