COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.555   2.169   1.708  1.00  0.00           C  
HETATM    2  C   UNL     1       3.916  -0.504   0.465  1.00  0.00           C  
HETATM    3  C   UNL     1       4.316   1.509  -0.785  1.00  0.00           C  
HETATM    4  C   UNL     1       5.184  -1.125  -2.429  1.00  0.00           C  
HETATM    5 BR   UNL     1       4.321  -2.314   0.833  1.00  0.00          Br  
HETATM    6  C   UNL     1      -3.198  -0.987  -0.523  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.046   0.104  -0.688  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.629   1.362  -0.290  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.373   1.539   0.271  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.534   0.458   0.439  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.950  -0.806   0.044  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.960   2.931   0.678  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.765   2.864   1.629  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.167   0.601   1.054  1.00  0.00           C  
HETATM   15  C   UNL     1       2.633   1.468   0.922  1.00  0.00           C  
HETATM   16  C   UNL     1       2.928   0.144   1.184  1.00  0.00           C  
HETATM   17  C   UNL     1       4.613   0.176  -0.522  1.00  0.00           C  
HETATM   18  C   UNL     1       3.325   2.152  -0.061  1.00  0.00           C  
HETATM   19  C   UNL     1       4.640   3.547  -1.967  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.674  -3.299  -0.711  1.00  0.00           C  
HETATM   21  N   UNL     1       0.264   2.002   1.027  1.00  0.00           N  
HETATM   22  N   UNL     1      -6.722   1.054   0.555  1.00  0.00           N  
HETATM   23  O   UNL     1       4.997   2.181  -1.752  1.00  0.00           O  
HETATM   24  O   UNL     1       5.585  -0.459  -1.230  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.598  -2.228  -0.912  1.00  0.00           O  
HETATM   26  O   UNL     1      -5.278  -0.065  -1.238  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.794  -1.224   0.748  1.00  0.00           O  
HETATM   28  O   UNL     1      -7.531  -0.707  -0.973  1.00  0.00           O  
HETATM   29  S   UNL     1      -6.373  -0.365  -0.224  1.00  0.00           S  
HETATM   30  H   UNL     1       1.497   1.738   2.708  1.00  0.00           H  
HETATM   31  H   UNL     1       1.792   3.230   1.783  1.00  0.00           H  
HETATM   32  H   UNL     1       4.448  -1.892  -2.190  1.00  0.00           H  
HETATM   33  H   UNL     1       4.745  -0.402  -3.117  1.00  0.00           H  
HETATM   34  H   UNL     1       6.054  -1.589  -2.895  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.285   2.210  -0.417  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.291  -1.652   0.173  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.684   3.501  -0.210  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.793   3.423   1.179  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.362   3.865   1.781  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.082   2.447   2.586  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.199   0.255   2.087  1.00  0.00           H  
HETATM   42  H   UNL     1       0.545  -0.005   0.494  1.00  0.00           H  
HETATM   43  H   UNL     1       2.385  -0.387   1.953  1.00  0.00           H  
HETATM   44  H   UNL     1       3.093   3.187  -0.263  1.00  0.00           H  
HETATM   45  H   UNL     1       3.590   3.607  -2.254  1.00  0.00           H  
HETATM   46  H   UNL     1       4.798   4.114  -1.050  1.00  0.00           H  
HETATM   47  H   UNL     1       5.258   3.964  -2.763  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.759  -3.099  -1.267  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.443  -3.386   0.350  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.117  -4.231  -1.064  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.247   1.866   0.319  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.403   1.073   1.246  1.00  0.00           H  
CONECT    1   15   21   30   31                                       
CONECT    2    5   16   16   17                                       
CONECT    3   17   17   18   23                                       
CONECT    4   24   32   33   34                                       
CONECT    5    2                                                      
CONECT    6   11   11    7   25                                       
CONECT    7    8    8    6   26                                       
CONECT    8    9    7    7   35                                       
CONECT    9   12   10   10    8                                       
CONECT   10   14    9    9   11                                       
CONECT   11   10    6    6   36                                       
CONECT   12   13    9   37   38                                       
CONECT   13   21   12   39   40                                       
CONECT   14   21   10   41   42                                       
CONECT   15   16    1   18   18                                       
CONECT   16    2    2   15   43                                       
CONECT   17    2   24    3    3                                       
CONECT   18   15   15    3   44                                       
CONECT   19   23   45   46   47                                       
CONECT   20   25   48   49   50                                       
CONECT   21    1   13   14                                            
CONECT   22   29   51   52                                            
CONECT   23    3   19                                                 
CONECT   24    4   17                                                 
CONECT   25    6   20                                                 
CONECT   26    7   29                                                 
CONECT   27   29   29                                                 
CONECT   28   29   29                                                 
CONECT   29   26   28   28   22                                       
CONECT   29   27   27                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    8                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
