COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.357   1.590  -0.063  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.640   3.020  -1.342  1.00  0.00           C  
HETATM    3  C   UNL     1       0.545   2.750  -2.003  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.671  -2.021  -0.096  1.00  0.00           C  
HETATM    5  C   UNL     1       6.365  -1.815   0.444  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.792   0.080   0.158  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.474  -1.361  -0.311  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.725   3.804  -2.036  1.00  0.00           C  
HETATM    9  S   UNL     1      -2.347   2.924   0.786  1.00  0.00           S  
HETATM   10  C   UNL     1      -0.834   2.575  -0.047  1.00  0.00           C  
HETATM   11  C   UNL     1       5.395  -1.031  -0.183  1.00  0.00           C  
HETATM   12  C   UNL     1       2.425   0.832   0.622  1.00  0.00           C  
HETATM   13  N   UNL     1       3.580   0.567  -0.020  1.00  0.00           N  
HETATM   14  N   UNL     1      -3.552   2.142  -0.038  1.00  0.00           N  
HETATM   15  C   UNL     1       4.552  -0.219   0.593  1.00  0.00           C  
HETATM   16  C   UNL     1       0.159   1.867   0.598  1.00  0.00           C  
HETATM   17  C   UNL     1       5.256  -1.055  -1.650  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.259   2.297   2.059  1.00  0.00           O  
HETATM   19  O   UNL     1      -2.585   4.315   0.620  1.00  0.00           O  
HETATM   20  O   UNL     1       2.262   0.448   1.763  1.00  0.00           O  
HETATM   21  O   UNL     1       6.138  -1.747  -2.399  1.00  0.00           O  
HETATM   22  C   UNL     1       1.544   2.038  -1.372  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.592   0.745  -0.057  1.00  0.00           C  
HETATM   24  O   UNL     1       4.347  -0.451  -2.185  1.00  0.00           O  
HETATM   25 BR   UNL     1      -3.724  -3.911  -0.115  1.00  0.00          Br  
HETATM   26  C   UNL     1      -2.431   0.019  -0.292  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.829  -1.300   0.139  1.00  0.00           C  
HETATM   28  C   UNL     1       4.692  -0.205   1.974  1.00  0.00           C  
HETATM   29  C   UNL     1       6.490  -1.788   1.817  1.00  0.00           C  
HETATM   30  C   UNL     1       5.656  -0.986   2.579  1.00  0.00           C  
HETATM   31  H   UNL     1       0.690   3.101  -3.014  1.00  0.00           H  
HETATM   32  H   UNL     1       7.015  -2.446  -0.145  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.696   0.642   0.342  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.572  -1.926  -0.493  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.645   4.856  -1.762  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.614   3.700  -3.115  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.700   3.422  -1.732  1.00  0.00           H  
HETATM   38  H   UNL     1       3.735   0.925  -0.908  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.230   2.653  -0.506  1.00  0.00           H  
HETATM   40  H   UNL     1       0.010   1.526   1.612  1.00  0.00           H  
HETATM   41  H   UNL     1       6.006  -1.733  -3.356  1.00  0.00           H  
HETATM   42  H   UNL     1       2.468   1.828  -1.889  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.497   0.533  -0.460  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.761  -1.818   0.306  1.00  0.00           H  
HETATM   45  H   UNL     1       4.046   0.417   2.575  1.00  0.00           H  
HETATM   46  H   UNL     1       7.241  -2.395   2.300  1.00  0.00           H  
HETATM   47  H   UNL     1       5.761  -0.972   3.654  1.00  0.00           H  
CONECT    1   22   12   16   16                                       
CONECT    2    3    8   10   10                                       
CONECT    3   22   22    2   31                                       
CONECT    4   25   27   27    7                                       
CONECT    5   11   11   29   32                                       
CONECT    6   27   23   23   33                                       
CONECT    7    4   26   26   34                                       
CONECT    8    2   35   36   37                                       
CONECT    9   10   14   19   19                                       
CONECT    9   18   18                                                 
CONECT   10    2    2   16    9                                       
CONECT   11   17    5    5   15                                       
CONECT   12   13    1   20   20                                       
CONECT   13   15   12   38                                            
CONECT   14   23    9   39                                            
CONECT   15   11   13   28   28                                       
CONECT   16    1    1   10   40                                       
CONECT   17   24   24   21   11                                       
CONECT   18    9    9                                                 
CONECT   19    9    9                                                 
CONECT   20   12   12                                                 
CONECT   21   17   41                                                 
CONECT   22    3    3    1   42                                       
CONECT   23    6    6   26   14                                       
CONECT   24   17   17                                                 
CONECT   25    4                                                      
CONECT   26    7    7   23   43                                       
CONECT   27    4    4    6   44                                       
CONECT   28   15   15   30   45                                       
CONECT   29    5   30   30   46                                       
CONECT   30   29   29   28   47                                       
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
CONECT   46   29                                                      
CONECT   47   30                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
