COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.269   0.626  -0.278  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.894  -0.011  -0.232  1.00  0.00           C  
HETATM    3  C   UNL     1       0.217  -2.178  -0.321  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.007  -1.391  -0.033  1.00  0.00           N  
HETATM    5  C   UNL     1       1.209  -2.055   0.832  1.00  0.00           C  
HETATM    6  O   UNL     1       6.027  -1.448   0.769  1.00  0.00           O  
HETATM    7  C   UNL     1      -5.678   0.042   0.410  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.962   2.103  -0.653  1.00  0.00           C  
HETATM    9  C   UNL     1       0.342   1.929  -0.474  1.00  0.00           C  
HETATM   10  N   UNL     1       3.641  -2.044   1.126  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.075   0.735  -0.425  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.414   0.098  -0.397  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.430   0.641   0.387  1.00  0.00           C  
HETATM   14  N   UNL     1       1.510   2.674  -0.490  1.00  0.00           N  
HETATM   15  F   UNL     1      -7.134  -1.681  -0.325  1.00  0.00           F  
HETATM   16  C   UNL     1      -5.915  -1.098  -0.348  1.00  0.00           C  
HETATM   17  O   UNL     1      -6.669   0.567   1.178  1.00  0.00           O  
HETATM   18  C   UNL     1      -6.355   1.740   1.931  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.906  -1.638  -1.127  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.659  -1.046  -1.155  1.00  0.00           C  
HETATM   21  C   UNL     1       2.524  -2.736   0.421  1.00  0.00           C  
HETATM   22  S   UNL     1       4.771  -1.334   0.115  1.00  0.00           S  
HETATM   23  O   UNL     1       4.527  -1.837  -1.191  1.00  0.00           O  
HETATM   24  C   UNL     1       4.383   0.383   0.068  1.00  0.00           C  
HETATM   25  C   UNL     1       3.091   0.799  -0.208  1.00  0.00           C  
HETATM   26  C   UNL     1       2.781   2.144  -0.240  1.00  0.00           C  
HETATM   27  C   UNL     1       3.792   3.085   0.003  1.00  0.00           C  
HETATM   28  C   UNL     1       5.075   2.668   0.277  1.00  0.00           C  
HETATM   29  C   UNL     1       5.371   1.319   0.311  1.00  0.00           C  
HETATM   30  N   UNL     1      -0.767   2.655  -0.668  1.00  0.00           N  
HETATM   31  H   UNL     1      -0.053  -3.227  -0.457  1.00  0.00           H  
HETATM   32  H   UNL     1       0.675  -1.805  -1.237  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.813  -1.823   0.291  1.00  0.00           H  
HETATM   34  H   UNL     1       1.395  -1.003   1.048  1.00  0.00           H  
HETATM   35  H   UNL     1       0.806  -2.543   1.719  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.846   2.703  -0.815  1.00  0.00           H  
HETATM   37  H   UNL     1       3.708  -2.006   2.094  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.244   1.528   0.975  1.00  0.00           H  
HETATM   39  H   UNL     1       1.442   3.626  -0.692  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.232   2.053   2.498  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.537   1.523   2.617  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.058   2.539   1.252  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.095  -2.525  -1.714  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.874  -1.470  -1.763  1.00  0.00           H  
HETATM   45  H   UNL     1       2.497  -3.786   0.714  1.00  0.00           H  
HETATM   46  H   UNL     1       2.651  -2.659  -0.658  1.00  0.00           H  
HETATM   47  H   UNL     1       2.328   0.061  -0.403  1.00  0.00           H  
HETATM   48  H   UNL     1       3.562   4.140  -0.025  1.00  0.00           H  
HETATM   49  H   UNL     1       5.850   3.393   0.471  1.00  0.00           H  
HETATM   50  H   UNL     1       6.378   0.997   0.530  1.00  0.00           H  
CONECT    1    9    2    2                                            
CONECT    2    1    1   11    4                                       
CONECT    3    4    5   31   32                                       
CONECT    4    2    3   33                                            
CONECT    5    3   21   34   35                                       
CONECT    6   22   22                                                 
CONECT    7   13   17   16   16                                       
CONECT    8   30   11   11   36                                       
CONECT    9   14   30   30    1                                       
CONECT   10   22   21   37                                            
CONECT   11    8    8    2   12                                       
CONECT   12   11   13   13   20                                       
CONECT   13   12   12    7   38                                       
CONECT   14   26    9   39                                            
CONECT   15   16                                                      
CONECT   16    7    7   19   15                                       
CONECT   17   18    7                                                 
CONECT   18   17   40   41   42                                       
CONECT   19   20   20   16   43                                       
CONECT   20   12   19   19   44                                       
CONECT   21   10    5   45   46                                       
CONECT   22   24   23   23    6                                       
CONECT   22    6   10                                                 
CONECT   23   22   22                                                 
CONECT   24   29   29   25   22                                       
CONECT   25   26   26   24   47                                       
CONECT   26   27   14   25   25                                       
CONECT   27   28   28   26   48                                       
CONECT   28   27   27   29   49                                       
CONECT   29   28   24   24   50                                       
CONECT   30    9    9    8                                            
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   25                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
