COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.176  -2.395  -0.169  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.971  -2.845   1.294  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.498  -2.827   1.487  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.049  -1.612   0.760  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.524   5.899  -0.883  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.775   5.015  -0.153  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.089   3.906   0.763  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.077   2.683   0.198  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.037   1.494   0.977  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.665   0.227   0.252  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.403  -1.527  -0.282  1.00  0.00           C  
HETATM   12  C   UNL     1       0.413  -1.720   0.409  1.00  0.00           C  
HETATM   13  C   UNL     1       2.473  -1.325   0.099  1.00  0.00           C  
HETATM   14  C   UNL     1       3.795  -0.654   0.039  1.00  0.00           C  
HETATM   15  C   UNL     1       3.928   0.669   0.458  1.00  0.00           C  
HETATM   16  C   UNL     1       5.159   1.288   0.400  1.00  0.00           C  
HETATM   17  C   UNL     1       6.262   0.598  -0.073  1.00  0.00           C  
HETATM   18  C   UNL     1       6.135  -0.715  -0.492  1.00  0.00           C  
HETATM   19  C   UNL     1       4.909  -1.345  -0.432  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.912  -1.584  -0.520  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.409  -1.803  -1.117  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.545   2.654   0.220  1.00  0.00           N  
HETATM   23  N   UNL     1      -4.572  -0.435   0.436  1.00  0.00           N  
HETATM   24  N   UNL     1       1.314  -0.778   0.531  1.00  0.00           N  
HETATM   25  N   UNL     1       2.210  -2.556  -0.253  1.00  0.00           N  
HETATM   26  O   UNL     1      -3.292  -3.531  -1.028  1.00  0.00           O  
HETATM   27  O   UNL     1       1.035  -2.798  -0.080  1.00  0.00           O  
HETATM   28  S   UNL     1      -6.631  -0.547  -0.927  1.00  0.00           S  
HETATM   29 BR   UNL     1       7.947   1.453  -0.150  1.00  0.00          Br  
HETATM   30  H   UNL     1      -3.453  -2.147   1.978  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.363  -3.851   1.440  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.263  -2.770   2.467  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.230  -0.721   1.360  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.300   6.690  -1.536  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.644   4.102   1.738  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.170   3.817   0.868  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.702   1.774  -0.273  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.739   3.551  -0.369  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.699   2.746   1.218  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.122   1.554   1.069  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.588   1.491   1.970  1.00  0.00           H  
HETATM   42  H   UNL     1       3.068   1.208   0.828  1.00  0.00           H  
HETATM   43  H   UNL     1       5.263   2.313   0.725  1.00  0.00           H  
HETATM   44  H   UNL     1       6.998  -1.249  -0.861  1.00  0.00           H  
HETATM   45  H   UNL     1       4.812  -2.372  -0.754  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.378  -2.053  -1.347  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.178  -0.558  -0.774  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.465  -2.647  -1.787  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.057  -4.090  -0.840  1.00  0.00           H  
CONECT    1   26    2   11   20                                       
CONECT    2    1    3   30   31                                       
CONECT    3    2    4   32                                            
CONECT    4    3   12   20   33                                       
CONECT    5    6    6    6   34                                       
CONECT    6    5    5    5    7                                       
CONECT    7    6   22   35   36                                       
CONECT    8   22   37   38   39                                       
CONECT    9   22   10   40   41                                       
CONECT   10    9   23   23   28                                       
CONECT   11   23    1   21   21                                       
CONECT   12   24   24    4   27                                       
CONECT   13   24   14   25   25                                       
CONECT   14   15   15   13   19                                       
CONECT   15   14   14   16   42                                       
CONECT   16   15   17   17   43                                       
CONECT   17   16   16   29   18                                       
CONECT   18   17   19   19   44                                       
CONECT   19   18   18   14   45                                       
CONECT   20    4    1   46   47                                       
CONECT   21   11   11   28   48                                       
CONECT   22    7    8    9                                            
CONECT   23   10   10   11                                            
CONECT   24   12   12   13                                            
CONECT   25   13   13   27                                            
CONECT   26    1   49                                                 
CONECT   27   25   12                                                 
CONECT   28   21   10                                                 
CONECT   29   17                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   26                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
