COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -5.799  -2.371  -0.104  1.00  0.00           F  
HETATM    2  C   UNL     1      -4.576  -1.827   0.080  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.083  -0.912  -0.836  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.834  -0.353  -0.652  1.00  0.00           C  
HETATM    5 BR   UNL     1      -2.162   0.896  -1.902  1.00  0.00          Br  
HETATM    6  C   UNL     1      -3.822  -2.182   1.188  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.573  -1.630   1.381  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.069  -0.712   0.459  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.729  -0.116   0.662  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.571   1.203   0.677  1.00  0.00           N  
HETATM   11  C   UNL     1       0.628   1.740   0.859  1.00  0.00           C  
HETATM   12  C   UNL     1       0.760   3.211   0.870  1.00  0.00           C  
HETATM   13  S   UNL     1      -0.560   4.358   0.659  1.00  0.00           S  
HETATM   14  C   UNL     1       0.535   5.662   0.820  1.00  0.00           C  
HETATM   15  C   UNL     1       1.769   5.178   1.014  1.00  0.00           C  
HETATM   16  N   UNL     1       1.871   3.872   1.043  1.00  0.00           N  
HETATM   17  N   UNL     1       1.716   0.995   1.032  1.00  0.00           N  
HETATM   18  C   UNL     1       0.404  -0.940   0.848  1.00  0.00           C  
HETATM   19  C   UNL     1       0.282  -2.407   0.839  1.00  0.00           C  
HETATM   20  O   UNL     1       0.043  -3.071   1.988  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.065  -4.516   1.904  1.00  0.00           C  
HETATM   22  O   UNL     1       0.397  -3.020  -0.204  1.00  0.00           O  
HETATM   23  C   UNL     1       1.648  -0.322   1.031  1.00  0.00           C  
HETATM   24  C   UNL     1       2.890  -1.151   1.233  1.00  0.00           C  
HETATM   25  N   UNL     1       3.504  -1.440  -0.070  1.00  0.00           N  
HETATM   26  C   UNL     1       4.010  -0.211  -0.697  1.00  0.00           C  
HETATM   27  C   UNL     1       4.587  -0.547  -2.075  1.00  0.00           C  
HETATM   28  O   UNL     1       5.605  -1.541  -1.930  1.00  0.00           O  
HETATM   29  C   UNL     1       5.146  -2.752  -1.323  1.00  0.00           C  
HETATM   30  C   UNL     1       4.576  -2.437   0.062  1.00  0.00           C  
HETATM   31  H   UNL     1      -4.676  -0.636  -1.696  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.213  -2.893   1.901  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.987  -1.908   2.244  1.00  0.00           H  
HETATM   34  H   UNL     1       0.274   6.709   0.773  1.00  0.00           H  
HETATM   35  H   UNL     1       2.625   5.824   1.142  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.258  -4.924   2.896  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.885  -4.781   1.237  1.00  0.00           H  
HETATM   38  H   UNL     1       0.867  -4.928   1.516  1.00  0.00           H  
HETATM   39  H   UNL     1       3.597  -0.601   1.854  1.00  0.00           H  
HETATM   40  H   UNL     1       2.625  -2.087   1.725  1.00  0.00           H  
HETATM   41  H   UNL     1       3.195   0.504  -0.808  1.00  0.00           H  
HETATM   42  H   UNL     1       4.791   0.222  -0.072  1.00  0.00           H  
HETATM   43  H   UNL     1       3.794  -0.930  -2.717  1.00  0.00           H  
HETATM   44  H   UNL     1       5.015   0.351  -2.520  1.00  0.00           H  
HETATM   45  H   UNL     1       4.370  -3.198  -1.944  1.00  0.00           H  
HETATM   46  H   UNL     1       5.979  -3.448  -1.225  1.00  0.00           H  
HETATM   47  H   UNL     1       5.366  -2.040   0.700  1.00  0.00           H  
HETATM   48  H   UNL     1       4.173  -3.348   0.505  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    3    6    1                                       
CONECT    3    4    2    2   31                                       
CONECT    4    5    8    8    3                                       
CONECT    5    4                                                      
CONECT    6    7    7    2   32                                       
CONECT    7    8    6    6   33                                       
CONECT    8    9    4    4    7                                       
CONECT    9   18   10   10    8                                       
CONECT   10    9    9   11                                            
CONECT   11   17   17   10   12                                       
CONECT   12   11   16   16   13                                       
CONECT   13   12   14                                                 
CONECT   14   15   15   13   34                                       
CONECT   15   16   14   14   35                                       
CONECT   16   12   12   15                                            
CONECT   17   23   11   11                                            
CONECT   18   19   23   23    9                                       
CONECT   19   22   22   20   18                                       
CONECT   20   21   19                                                 
CONECT   21   20   36   37   38                                       
CONECT   22   19   19                                                 
CONECT   23   24   18   18   17                                       
CONECT   24   25   23   39   40                                       
CONECT   25   26   24   30                                            
CONECT   26   27   25   41   42                                       
CONECT   27   26   28   43   44                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   45   46                                       
CONECT   30   25   29   47   48                                       
CONECT   31    3                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   21                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   24                                                      
CONECT   40   24                                                      
CONECT   41   26                                                      
CONECT   42   26                                                      
CONECT   43   27                                                      
CONECT   44   27                                                      
CONECT   45   29                                                      
CONECT   46   29                                                      
CONECT   47   30                                                      
CONECT   48   30                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
