COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.554   0.164  -1.500  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.919   1.735   1.807  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.133   0.812   1.681  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.990   4.173  -0.084  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.139   3.306  -1.903  1.00  0.00           C  
HETATM    6  C   UNL     1       0.086  -2.991  -0.185  1.00  0.00           C  
HETATM    7  C   UNL     1       3.862   0.110   1.144  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.254   0.674   0.267  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.464   1.042  -0.760  1.00  0.00           N  
HETATM   10  N   UNL     1      -3.955   1.738   0.705  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.167   0.278  -0.924  1.00  0.00           C  
HETATM   12  N   UNL     1       0.697   1.200  -1.237  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.661   2.399  -0.998  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.608   2.837  -0.065  1.00  0.00           C  
HETATM   15  N   UNL     1       0.366  -0.568  -0.002  1.00  0.00           N  
HETATM   16  C   UNL     1       1.842   1.010  -0.533  1.00  0.00           C  
HETATM   17  C   UNL     1       1.647  -0.128   0.268  1.00  0.00           C  
HETATM   18  S   UNL     1      -0.152  -5.699  -0.486  1.00  0.00           S  
HETATM   19  C   UNL     1      -5.010   0.469   2.663  1.00  0.00           C  
HETATM   20  C   UNL     1       3.065   1.685  -0.484  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.325  -0.449   0.730  1.00  0.00           O  
HETATM   22  C   UNL     1       2.664  -0.570   1.103  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.683  -5.597  -1.800  1.00  0.00           O  
HETATM   24  O   UNL     1       1.240  -5.931  -0.316  1.00  0.00           O  
HETATM   25  N   UNL     1      -2.527   4.568  -1.882  1.00  0.00           N  
HETATM   26  C   UNL     1       4.060   1.235   0.355  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.296  -1.731   0.595  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.605  -4.205   0.438  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.066  -6.985   0.409  1.00  0.00           C  
HETATM   30 BR   UNL     1       5.710   2.157   0.432  1.00  0.00          Br  
HETATM   31  C   UNL     1      -3.422   5.014  -1.020  1.00  0.00           C  
HETATM   32  H   UNL     1      -1.898  -0.867  -1.418  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.538   0.459  -2.549  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.065   2.692   2.308  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.077   1.162   2.098  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.214   0.208   0.777  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.721   4.545   0.618  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.404   2.983  -2.625  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.229  -2.886  -1.223  1.00  0.00           H  
HETATM   40  H   UNL     1       1.167  -3.128  -0.145  1.00  0.00           H  
HETATM   41  H   UNL     1       4.650  -0.232   1.799  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.352  -0.361   2.405  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.215   0.594   3.726  1.00  0.00           H  
HETATM   44  H   UNL     1       3.226   2.560  -1.095  1.00  0.00           H  
HETATM   45  H   UNL     1       2.516  -1.444   1.720  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.377  -1.593   0.555  1.00  0.00           H  
HETATM   47  H   UNL     1       0.020  -1.836   1.633  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.290  -4.310   1.476  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.686  -4.068   0.399  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.737  -7.008   1.448  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.133  -6.766   0.371  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.877  -7.954  -0.053  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.714   6.053  -1.047  1.00  0.00           H  
CONECT    1    9   11   32   33                                       
CONECT    2   19    3   10   34                                       
CONECT    3   19    2   35   36                                       
CONECT    4   14   31   31   37                                       
CONECT    5   13   25   25   38                                       
CONECT    6   28   27   39   40                                       
CONECT    7   22   26   26   41                                       
CONECT    8   21   21   10    9                                       
CONECT    9    8    1   13                                            
CONECT   10    8    2   14                                            
CONECT   11    1   15   12   12                                       
CONECT   12   11   11   16                                            
CONECT   13    9   14   14    5                                       
CONECT   14   10   13   13    4                                       
CONECT   15   27   11   17                                            
CONECT   16   12   17   20   20                                       
CONECT   17   15   22   22   16                                       
CONECT   18   29   28   24   24                                       
CONECT   18   23   23                                                 
CONECT   19    3    2   42   43                                       
CONECT   20   16   16   26   44                                       
CONECT   21    8    8                                                 
CONECT   22   17   17    7   45                                       
CONECT   23   18   18                                                 
CONECT   24   18   18                                                 
CONECT   25    5    5   31                                            
CONECT   26    7    7   20   30                                       
CONECT   27    6   15   46   47                                       
CONECT   28   18    6   48   49                                       
CONECT   29   18   50   51   52                                       
CONECT   30   26                                                      
CONECT   31    4    4   25   53                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   31                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
