COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.539   1.528   0.563  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.308   0.438   0.421  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.114   1.850   0.385  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.259   2.944   0.517  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.577   2.059   0.284  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.301  -2.548  -0.278  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.019  -0.373  -0.207  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.317  -4.053  -0.369  1.00  0.00           C  
HETATM    9  C   UNL     1       0.262  -0.956   0.366  1.00  0.00           C  
HETATM   10  C   UNL     1       6.180  -2.192   0.892  1.00  0.00           C  
HETATM   11  C   UNL     1       5.818  -2.169  -0.446  1.00  0.00           C  
HETATM   12  C   UNL     1       5.228  -1.038  -0.983  1.00  0.00           C  
HETATM   13  C   UNL     1       5.001   0.068  -0.185  1.00  0.00           C  
HETATM   14  C   UNL     1       5.361   0.045   1.150  1.00  0.00           C  
HETATM   15  C   UNL     1       5.950  -1.083   1.689  1.00  0.00           C  
HETATM   16  S   UNL     1       4.250   1.508  -0.869  1.00  0.00           S  
HETATM   17  N   UNL     1       2.613   1.343  -0.683  1.00  0.00           N  
HETATM   18  C   UNL     1       2.027   1.314   0.659  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.611   0.620   0.336  1.00  0.00           N  
HETATM   20  N   UNL     1       0.045   2.752   0.607  1.00  0.00           N  
HETATM   21  O   UNL     1      -4.034   3.185   0.316  1.00  0.00           O  
HETATM   22  N   UNL     1      -4.402   1.000   0.156  1.00  0.00           N  
HETATM   23  C   UNL     1      -5.849   1.207   0.056  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.538  -0.126  -0.077  1.00  0.00           C  
HETATM   25  S   UNL     1      -5.865  -1.534  -0.110  1.00  0.00           S  
HETATM   26  N   UNL     1      -8.318  -1.789  -0.315  1.00  0.00           N  
HETATM   27  O   UNL     1       4.640   2.595  -0.041  1.00  0.00           O  
HETATM   28  O   UNL     1       4.502   1.466  -2.267  1.00  0.00           O  
HETATM   29  F   UNL     1       6.041  -3.250  -1.225  1.00  0.00           F  
HETATM   30  F   UNL     1       6.750  -3.297   1.419  1.00  0.00           F  
HETATM   31  H   UNL     1      -1.662   3.945   0.545  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.525   0.031   0.669  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.397  -4.476   0.633  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.169  -4.372  -0.968  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.394  -4.398  -0.836  1.00  0.00           H  
HETATM   36  H   UNL     1       0.322  -1.364   1.375  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.383  -1.588  -0.244  1.00  0.00           H  
HETATM   38  H   UNL     1       1.259  -0.923  -0.073  1.00  0.00           H  
HETATM   39  H   UNL     1       4.946  -1.018  -2.025  1.00  0.00           H  
HETATM   40  H   UNL     1       5.183   0.910   1.772  1.00  0.00           H  
HETATM   41  H   UNL     1       6.232  -1.100   2.731  1.00  0.00           H  
HETATM   42  H   UNL     1       2.042   1.265  -1.463  1.00  0.00           H  
HETATM   43  H   UNL     1       2.469   2.105   1.265  1.00  0.00           H  
HETATM   44  H   UNL     1       2.226   0.348   1.122  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.037   0.102   0.131  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.207   1.713   0.953  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.069   1.819  -0.819  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.506  -1.728   1.171  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.388   0.138  -1.096  1.00  0.00           H  
CONECT    1    2    2   18   20                                       
CONECT    2    1    1    9   19                                       
CONECT    3    4    5   19   19                                       
CONECT    4    3   20   20   31                                       
CONECT    5    3   21   21   22                                       
CONECT    6    8   25   26   26                                       
CONECT    7   24   26   32   49                                       
CONECT    8    6   33   34   35                                       
CONECT    9    2   36   37   38                                       
CONECT   10   11   11   15   30                                       
CONECT   11   10   10   12   29                                       
CONECT   12   11   13   13   39                                       
CONECT   13   12   12   14   16                                       
CONECT   14   13   15   15   40                                       
CONECT   15   10   14   14   41                                       
CONECT   16   13   17   27   27                                       
CONECT   16   28   28                                                 
CONECT   17   16   18   42                                            
CONECT   18    1   17   43   44                                       
CONECT   19    2    3    3                                            
CONECT   20    1    4    4                                            
CONECT   21    5    5                                                 
CONECT   22    5   23   45                                            
CONECT   23   22   24   46   47                                       
CONECT   24    7   23   25   25                                       
CONECT   25    6   24   24   48                                       
CONECT   26    6    6    7                                            
CONECT   27   16   16                                                 
CONECT   28   16   16                                                 
CONECT   29   11                                                      
CONECT   30   10                                                      
CONECT   31    4                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   25                                                      
CONECT   49    7                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
