COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.954   1.005   0.875  1.00  0.00           C  
HETATM    2  C   UNL     1       1.803   1.572   0.335  1.00  0.00           C  
HETATM    3  C   UNL     1       6.754  -2.118  -0.099  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.266  -1.352  -0.026  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.487  -1.120  -1.372  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.967   0.009  -1.973  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.223   0.911  -1.227  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.062   2.970  -0.966  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.584   4.161  -1.798  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.879   2.317  -0.298  1.00  0.00           C  
HETATM   11  C   UNL     1       1.046   2.451   1.094  1.00  0.00           C  
HETATM   12  C   UNL     1       3.769   0.064   0.067  1.00  0.00           C  
HETATM   13  C   UNL     1       3.449  -0.278  -1.197  1.00  0.00           C  
HETATM   14  C   UNL     1       5.518  -1.356  -0.340  1.00  0.00           C  
HETATM   15  C   UNL     1       4.925  -0.532   0.550  1.00  0.00           C  
HETATM   16  C   UNL     1       3.343   1.329   2.173  1.00  0.00           C  
HETATM   17  C   UNL     1       2.587   2.209   2.921  1.00  0.00           C  
HETATM   18  C   UNL     1       1.438   2.764   2.391  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.046   3.454   0.101  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.003   0.677   0.122  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.529  -0.450   0.722  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.112   3.023   0.556  1.00  0.00           N  
HETATM   23  N   UNL     1       7.268  -2.930  -1.089  1.00  0.00           N  
HETATM   24  N   UNL     1       7.365  -2.025   1.052  1.00  0.00           N  
HETATM   25  O   UNL     1      -2.710   2.023  -1.818  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.617   1.155  -0.529  1.00  0.00           O  
HETATM   27  S   UNL     1       4.595  -1.369  -1.836  1.00  0.00           S  
HETATM   28 BR   UNL     1      -4.979  -2.899   0.795  1.00  0.00          Br  
HETATM   29  H   UNL     1       1.500   1.328  -0.673  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.066  -1.823  -1.952  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.139   0.190  -3.024  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.446   4.686  -2.210  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.013   4.841  -1.165  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.952   3.806  -2.612  1.00  0.00           H  
HETATM   35  H   UNL     1       2.585   0.088  -1.732  1.00  0.00           H  
HETATM   36  H   UNL     1       5.313  -0.355   1.542  1.00  0.00           H  
HETATM   37  H   UNL     1       4.236   0.891   2.595  1.00  0.00           H  
HETATM   38  H   UNL     1       2.889   2.458   3.928  1.00  0.00           H  
HETATM   39  H   UNL     1       0.850   3.452   2.980  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.467   2.595   0.624  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.524   4.094   0.813  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.848   4.019  -0.375  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.423   1.378   0.705  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.358  -0.633   1.772  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.363   3.929   0.797  1.00  0.00           H  
HETATM   46  H   UNL     1       6.815  -2.999  -1.944  1.00  0.00           H  
HETATM   47  H   UNL     1       7.003  -1.454   1.748  1.00  0.00           H  
HETATM   48  H   UNL     1       8.083  -3.432  -0.930  1.00  0.00           H  
CONECT    1   12   16   16    2                                       
CONECT    2    1   11   11   29                                       
CONECT    3   23   14   24   24                                       
CONECT    4   21   21    5   28                                       
CONECT    5    6    6    4   30                                       
CONECT    6    7    5    5   31                                       
CONECT    7   25   20   20    6                                       
CONECT    8   10   19   25    9                                       
CONECT    9    8   32   33   34                                       
CONECT   10   22   26   26    8                                       
CONECT   11    2    2   18   22                                       
CONECT   12   13   13   15    1                                       
CONECT   13   27   12   12   35                                       
CONECT   14   27    3   15   15                                       
CONECT   15   14   14   12   36                                       
CONECT   16    1    1   17   37                                       
CONECT   17   16   18   18   38                                       
CONECT   18   17   17   11   39                                       
CONECT   19    8   40   41   42                                       
CONECT   20    7    7   21   43                                       
CONECT   21   20    4    4   44                                       
CONECT   22   11   10   45                                            
CONECT   23    3   46   48                                            
CONECT   24    3    3   47                                            
CONECT   25    8    7                                                 
CONECT   26   10   10                                                 
CONECT   27   13   14                                                 
CONECT   28    4                                                      
CONECT   29    2                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   23                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
