COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.544   6.377   0.647  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.564   1.300   1.950  1.00  0.00           C  
HETATM    3  C   UNL     1       4.844  -1.266   3.979  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.629  -3.110  -0.657  1.00  0.00           O  
HETATM    5  O   UNL     1       3.392  -1.687  -2.252  1.00  0.00           O  
HETATM    6  O   UNL     1       4.840   0.350  -2.226  1.00  0.00           O  
HETATM    7 BR   UNL     1      -5.301  -1.857   0.107  1.00  0.00          Br  
HETATM    8  C   UNL     1       2.670   1.818  -0.971  1.00  0.00           C  
HETATM    9  C   UNL     1       1.587   2.599  -0.618  1.00  0.00           C  
HETATM   10  C   UNL     1       1.284  -0.138  -0.997  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.798   4.879   0.459  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.542   1.125   0.430  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.490   4.185   0.073  1.00  0.00           C  
HETATM   14  C   UNL     1       3.890  -2.049   1.895  1.00  0.00           C  
HETATM   15  C   UNL     1       5.295  -0.072   1.921  1.00  0.00           C  
HETATM   16  C   UNL     1       4.207  -2.316   0.420  1.00  0.00           C  
HETATM   17  C   UNL     1       5.669  -0.259   0.447  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.174   0.763  -0.126  1.00  0.00           N  
HETATM   19  N   UNL     1      -1.279  -1.329  -0.652  1.00  0.00           N  
HETATM   20  O   UNL     1      -0.727   2.787  -0.103  1.00  0.00           O  
HETATM   21  C   UNL     1       2.518   0.454  -1.160  1.00  0.00           C  
HETATM   22  C   UNL     1       0.338   2.020  -0.450  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.386   0.239   0.043  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.584  -1.100  -0.132  1.00  0.00           C  
HETATM   25  C   UNL     1       0.180   0.641  -0.639  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.143   0.014  -0.463  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.488  -1.909  -0.493  1.00  0.00           C  
HETATM   28  N   UNL     1       5.038  -1.385   2.528  1.00  0.00           N  
HETATM   29  N   UNL     1       4.616  -1.050  -0.206  1.00  0.00           N  
HETATM   30  S   UNL     1       3.909  -0.529  -1.610  1.00  0.00           S  
HETATM   31  H   UNL     1      -1.168   6.801  -0.284  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.476   6.871   0.922  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.807   6.524   1.436  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.631   1.757   2.277  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.400   1.942   2.229  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.679   0.326   2.426  1.00  0.00           H  
HETATM   37  H   UNL     1       4.731  -2.260   4.413  1.00  0.00           H  
HETATM   38  H   UNL     1       5.708  -0.772   4.422  1.00  0.00           H  
HETATM   39  H   UNL     1       3.947  -0.679   4.178  1.00  0.00           H  
HETATM   40  H   UNL     1       3.639   2.274  -1.106  1.00  0.00           H  
HETATM   41  H   UNL     1       1.713   3.662  -0.474  1.00  0.00           H  
HETATM   42  H   UNL     1       1.170  -1.201  -1.146  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.173   4.455   1.390  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.534   4.732  -0.331  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.475   0.669   0.102  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.427   2.099  -0.046  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.114   4.610  -0.858  1.00  0.00           H  
HETATM   48  H   UNL     1       0.247   4.333   0.862  1.00  0.00           H  
HETATM   49  H   UNL     1       3.013  -1.406   1.968  1.00  0.00           H  
HETATM   50  H   UNL     1       3.692  -2.994   2.402  1.00  0.00           H  
HETATM   51  H   UNL     1       6.115   0.417   2.446  1.00  0.00           H  
HETATM   52  H   UNL     1       4.398   0.543   1.994  1.00  0.00           H  
HETATM   53  H   UNL     1       5.018  -3.041   0.346  1.00  0.00           H  
HETATM   54  H   UNL     1       3.320  -2.703  -0.081  1.00  0.00           H  
HETATM   55  H   UNL     1       5.749   0.715  -0.036  1.00  0.00           H  
HETATM   56  H   UNL     1       6.621  -0.785   0.375  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.511  -1.867  -0.901  1.00  0.00           H  
CONECT    1   11   31   32   33                                       
CONECT    2   12   34   35   36                                       
CONECT    3   28   37   38   39                                       
CONECT    4   27   27                                                 
CONECT    5   30   30                                                 
CONECT    6   30   30                                                 
CONECT    7   24                                                      
CONECT    8    9    9   21   40                                       
CONECT    9    8    8   22   41                                       
CONECT   10   21   21   25   42                                       
CONECT   11    1   13   43   44                                       
CONECT   12    2   23   45   46                                       
CONECT   13   11   20   47   48                                       
CONECT   14   16   28   49   50                                       
CONECT   15   17   28   51   52                                       
CONECT   16   14   29   53   54                                       
CONECT   17   15   29   55   56                                       
CONECT   18   23   26   26                                            
CONECT   19   26   27   57                                            
CONECT   20   13   22                                                 
CONECT   21    8   10   10   30                                       
CONECT   22    9   20   25   25                                       
CONECT   23   12   18   24   24                                       
CONECT   24    7   23   23   27                                       
CONECT   25   10   22   22   26                                       
CONECT   26   18   18   19   25                                       
CONECT   27    4    4   19   24                                       
CONECT   28    3   14   15                                            
CONECT   29   16   17   30                                            
CONECT   30    5    5    6    6                                       
CONECT   30   21   29                                                 
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   19                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
