COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.812  -0.001   0.931  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.388  -1.436   0.737  1.00  0.00           C  
HETATM    3  C   UNL     1       0.850  -1.560   1.356  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.909   1.948  -0.664  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.975   0.693  -0.418  1.00  0.00           C  
HETATM    6  C   UNL     1       2.490  -0.134   2.641  1.00  0.00           C  
HETATM    7  C   UNL     1       1.492  -2.796   1.337  1.00  0.00           C  
HETATM    8  C   UNL     1       5.541   1.069  -0.104  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.341   2.164  -0.194  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.854   1.186  -0.113  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.545   0.380  -1.002  1.00  0.00           C  
HETATM   12 BR   UNL     1      -1.130  -5.220  -0.764  1.00  0.00          Br  
HETATM   13  C   UNL     1      -0.329  -3.738   0.095  1.00  0.00           C  
HETATM   14  C   UNL     1       0.903  -3.874   0.710  1.00  0.00           C  
HETATM   15  N   UNL     1       1.235  -0.340   1.915  1.00  0.00           N  
HETATM   16  C   UNL     1       3.566   0.290   1.674  1.00  0.00           C  
HETATM   17  C   UNL     1       3.764   1.634   1.411  1.00  0.00           C  
HETATM   18  C   UNL     1       4.747   2.028   0.526  1.00  0.00           C  
HETATM   19  C   UNL     1       5.335  -0.284   0.166  1.00  0.00           C  
HETATM   20  C   UNL     1       4.349  -0.666   1.052  1.00  0.00           C  
HETATM   21  C   UNL     1       6.593   1.486  -1.058  1.00  0.00           C  
HETATM   22  N   UNL     1       7.433   0.668  -1.739  1.00  0.00           N  
HETATM   23  N   UNL     1       8.239   1.525  -2.509  1.00  0.00           N  
HETATM   24  N   UNL     1       7.853   2.728  -2.255  1.00  0.00           N  
HETATM   25  N   UNL     1       6.885   2.720  -1.411  1.00  0.00           N  
HETATM   26  C   UNL     1       0.319   0.624   1.711  1.00  0.00           C  
HETATM   27  O   UNL     1       0.389   1.776   2.083  1.00  0.00           O  
HETATM   28  N   UNL     1      -2.522   2.228   0.678  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.485   1.532   1.972  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.110   0.066   1.731  1.00  0.00           C  
HETATM   31  S   UNL     1      -3.870   3.070   0.212  1.00  0.00           S  
HETATM   32  O   UNL     1      -3.433   4.035  -0.735  1.00  0.00           O  
HETATM   33  O   UNL     1      -4.563   3.410   1.405  1.00  0.00           O  
HETATM   34  C   UNL     1      -6.160   0.487  -2.274  1.00  0.00           C  
HETATM   35  S   UNL     1      -4.851   1.656  -2.398  1.00  0.00           S  
HETATM   36  C   UNL     1      -0.975  -2.513   0.111  1.00  0.00           C  
HETATM   37  H   UNL     1      -0.038   0.633  -0.973  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.766   0.204  -0.986  1.00  0.00           H  
HETATM   39  H   UNL     1       2.352   0.642   3.394  1.00  0.00           H  
HETATM   40  H   UNL     1       2.786  -1.063   3.128  1.00  0.00           H  
HETATM   41  H   UNL     1       2.455  -2.911   1.814  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.507   2.680   0.282  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.568   2.634  -1.151  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.065   1.196   0.946  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.336  -0.286  -0.688  1.00  0.00           H  
HETATM   46  H   UNL     1       1.406  -4.830   0.698  1.00  0.00           H  
HETATM   47  H   UNL     1       3.149   2.375   1.898  1.00  0.00           H  
HETATM   48  H   UNL     1       4.902   3.078   0.322  1.00  0.00           H  
HETATM   49  H   UNL     1       5.946  -1.031  -0.319  1.00  0.00           H  
HETATM   50  H   UNL     1       4.189  -1.713   1.261  1.00  0.00           H  
HETATM   51  H   UNL     1       7.470  -0.301  -1.702  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.740   1.999   2.616  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.466   1.586   2.444  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.907  -0.426   1.173  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.973  -0.436   2.688  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.584  -0.062  -3.102  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.937  -2.402  -0.367  1.00  0.00           H  
CONECT    1    2   26   30    5                                       
CONECT    2    1    3    3   36                                       
CONECT    3    2    2    7   15                                       
CONECT    4   10   10   31   35                                       
CONECT    5    9   37   38    1                                       
CONECT    6   15   16   39   40                                       
CONECT    7    3   14   14   41                                       
CONECT    8   18   18   19   21                                       
CONECT    9    5   28   42   43                                       
CONECT   10    4    4   11   44                                       
CONECT   11   10   34   34   45                                       
CONECT   12   13                                                      
CONECT   13   12   14   36   36                                       
CONECT   14    7    7   13   46                                       
CONECT   15    3    6   26                                            
CONECT   16    6   17   17   20                                       
CONECT   17   16   16   18   47                                       
CONECT   18    8    8   17   48                                       
CONECT   19    8   20   20   49                                       
CONECT   20   16   19   19   50                                       
CONECT   21    8   22   25   25                                       
CONECT   22   21   23   51                                            
CONECT   23   22   24   24                                            
CONECT   24   23   23   25                                            
CONECT   25   21   21   24                                            
CONECT   26    1   15   27   27                                       
CONECT   27   26   26                                                 
CONECT   28    9   29   31                                            
CONECT   29   28   30   52   53                                       
CONECT   30    1   29   54   55                                       
CONECT   31    4   28   32   32                                       
CONECT   31   33   33                                                 
CONECT   32   31   31                                                 
CONECT   33   31   31                                                 
CONECT   34   11   11   35   56                                       
CONECT   35    4   34                                                 
CONECT   36    2   13   13   57                                       
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   14                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   22                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
CONECT   56   34                                                      
CONECT   57   36                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
