COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1       5.917  -1.399   1.216  1.00  0.00           F  
HETATM    2  C   UNL     1       6.062  -0.155   0.708  1.00  0.00           C  
HETATM    3  C   UNL     1       7.303   0.272   0.266  1.00  0.00           C  
HETATM    4  C   UNL     1       7.451   1.546  -0.254  1.00  0.00           C  
HETATM    5  F   UNL     1       8.661   1.963  -0.686  1.00  0.00           F  
HETATM    6  C   UNL     1       6.357   2.393  -0.332  1.00  0.00           C  
HETATM    7  F   UNL     1       6.500   3.637  -0.840  1.00  0.00           F  
HETATM    8  C   UNL     1       5.117   1.964   0.111  1.00  0.00           C  
HETATM    9  C   UNL     1       4.969   0.690   0.624  1.00  0.00           C  
HETATM   10  C   UNL     1       3.619   0.225   1.105  1.00  0.00           C  
HETATM   11  C   UNL     1       2.966  -0.646   0.029  1.00  0.00           C  
HETATM   12  N   UNL     1       3.756  -1.870  -0.156  1.00  0.00           N  
HETATM   13  C   UNL     1       1.547  -1.015   0.463  1.00  0.00           C  
HETATM   14  N   UNL     1       0.965  -1.944  -0.508  1.00  0.00           N  
HETATM   15  S   UNL     1      -0.398  -2.801  -0.122  1.00  0.00           S  
HETATM   16  O   UNL     1      -0.726  -3.574  -1.268  1.00  0.00           O  
HETATM   17  O   UNL     1      -0.165  -3.371   1.159  1.00  0.00           O  
HETATM   18  N   UNL     1      -1.627  -1.707   0.071  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.089  -0.916  -1.073  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.418  -0.287  -0.744  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.464   0.963  -0.156  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.684   1.540   0.146  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.857   0.867  -0.140  1.00  0.00           C  
HETATM   24  S   UNL     1      -7.411   1.599   0.252  1.00  0.00           S  
HETATM   25  O   UNL     1      -7.192   3.002   0.303  1.00  0.00           O  
HETATM   26  O   UNL     1      -8.368   0.992  -0.605  1.00  0.00           O  
HETATM   27  N   UNL     1      -7.799   1.131   1.792  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.811  -0.383  -0.728  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.591  -0.958  -1.036  1.00  0.00           C  
HETATM   30  H   UNL     1       8.155  -0.389   0.328  1.00  0.00           H  
HETATM   31  H   UNL     1       4.264   2.623   0.046  1.00  0.00           H  
HETATM   32  H   UNL     1       3.739  -0.357   2.019  1.00  0.00           H  
HETATM   33  H   UNL     1       2.986   1.089   1.306  1.00  0.00           H  
HETATM   34  H   UNL     1       2.927  -0.093  -0.910  1.00  0.00           H  
HETATM   35  H   UNL     1       3.808  -2.400   0.701  1.00  0.00           H  
HETATM   36  H   UNL     1       3.383  -2.431  -0.907  1.00  0.00           H  
HETATM   37  H   UNL     1       1.579  -1.489   1.445  1.00  0.00           H  
HETATM   38  H   UNL     1       0.936  -0.114   0.515  1.00  0.00           H  
HETATM   39  H   UNL     1       1.378  -2.058  -1.379  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.040  -1.589   0.940  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.361  -0.135  -1.292  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.199  -1.564  -1.942  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.548   1.489   0.068  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.720   2.517   0.606  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.627   1.433   2.197  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.198   0.554   2.290  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.727  -0.909  -0.951  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.555  -1.934  -1.495  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    9    1    3    3                                       
CONECT    3    2    2    4   30                                       
CONECT    4    6    6    3    5                                       
CONECT    5    4                                                      
CONECT    6    8    7    4    4                                       
CONECT    7    6                                                      
CONECT    8    9    9    6   31                                       
CONECT    9   10    8    8    2                                       
CONECT   10   11    9   32   33                                       
CONECT   11   13   10   12   34                                       
CONECT   12   11   35   36                                            
CONECT   13   14   11   37   38                                       
CONECT   14   15   13   39                                            
CONECT   15   18   16   16   17                                       
CONECT   15   17   14                                                 
CONECT   16   15   15                                                 
CONECT   17   15   15                                                 
CONECT   18   19   15   40                                            
CONECT   19   20   18   41   42                                       
CONECT   20   29   29   21   19                                       
CONECT   21   22   22   20   43                                       
CONECT   22   23   21   21   44                                       
CONECT   23   24   28   28   22                                       
CONECT   24   27   26   26   25                                       
CONECT   24   25   23                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27   24   45   46                                            
CONECT   28   23   23   29   47                                       
CONECT   29   28   20   20   48                                       
CONECT   30    3                                                      
CONECT   31    8                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
