COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.818   1.290  -0.104  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.091  -0.077  -0.115  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.832  -0.503  -0.269  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.500   1.701  -0.180  1.00  0.00           C  
HETATM    5  C   UNL     1       2.501  -1.669  -1.038  1.00  0.00           C  
HETATM    6  C   UNL     1       4.159  -0.144  -0.226  1.00  0.00           C  
HETATM    7  C   UNL     1       1.878   0.110   0.455  1.00  0.00           C  
HETATM    8  C   UNL     1       6.672  -0.458   1.186  1.00  0.00           C  
HETATM    9  C   UNL     1       8.149  -0.139   1.421  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.821  -2.290   0.738  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.711  -1.706   2.148  1.00  0.00           C  
HETATM   12  C   UNL     1       7.744  -1.486   0.820  1.00  0.00           C  
HETATM   13  S   UNL     1       5.835   0.400  -0.175  1.00  0.00           S  
HETATM   14  N   UNL     1       5.854   1.866   0.111  1.00  0.00           N  
HETATM   15  O   UNL     1       6.413   0.187  -1.455  1.00  0.00           O  
HETATM   16  C   UNL     1       3.194   0.527   0.501  1.00  0.00           C  
HETATM   17  C   UNL     1       3.813  -1.240  -0.995  1.00  0.00           C  
HETATM   18  C   UNL     1       1.528  -0.994  -0.312  1.00  0.00           C  
HETATM   19  N   UNL     1       0.198  -1.425  -0.354  1.00  0.00           N  
HETATM   20  N   UNL     1      -2.082  -0.935  -0.198  1.00  0.00           N  
HETATM   21  N   UNL     1      -0.542   0.790  -0.261  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.935   2.298  -0.018  1.00  0.00           C  
HETATM   23  F   UNL     1      -4.790   2.142  -1.115  1.00  0.00           F  
HETATM   24  F   UNL     1      -4.654   2.097   1.166  1.00  0.00           F  
HETATM   25  F   UNL     1      -3.399   3.590  -0.024  1.00  0.00           F  
HETATM   26  O   UNL     1      -4.369  -0.523  -0.042  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.563  -1.939  -0.058  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.725  -2.414  -1.504  1.00  0.00           C  
HETATM   29  O   UNL     1      -6.968  -1.743   0.084  1.00  0.00           O  
HETATM   30  H   UNL     1      -1.255   2.753  -0.175  1.00  0.00           H  
HETATM   31  H   UNL     1       2.231  -2.525  -1.638  1.00  0.00           H  
HETATM   32  H   UNL     1       1.124   0.634   1.023  1.00  0.00           H  
HETATM   33  H   UNL     1       6.056  -0.664   2.062  1.00  0.00           H  
HETATM   34  H   UNL     1       8.619   0.588   0.757  1.00  0.00           H  
HETATM   35  H   UNL     1       8.506  -0.134   2.451  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.920  -3.374   0.801  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.607  -1.957   2.716  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.837  -2.123   2.647  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.612  -0.623   2.086  1.00  0.00           H  
HETATM   40  H   UNL     1       7.834  -2.368   1.454  1.00  0.00           H  
HETATM   41  H   UNL     1       7.947  -1.646  -0.239  1.00  0.00           H  
HETATM   42  H   UNL     1       6.699   2.343   0.140  1.00  0.00           H  
HETATM   43  H   UNL     1       3.469   1.378   1.107  1.00  0.00           H  
HETATM   44  H   UNL     1       4.570  -1.762  -1.562  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.003  -2.370  -0.442  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.699  -2.429   0.391  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.589  -1.923  -1.953  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.829  -2.164  -2.071  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.874  -3.494  -1.516  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.947  -0.781  -0.007  1.00  0.00           H  
CONECT    1    4   22    2    2                                       
CONECT    2    1    1   20   26                                       
CONECT    3   21   19   20   20                                       
CONECT    4   21   21    1   30                                       
CONECT    5   18   17   17   31                                       
CONECT    6   16   16   17   13                                       
CONECT    7   18   18   16   32                                       
CONECT    8   13    9   12   33                                       
CONECT    9    8   12   34   35                                       
CONECT   10   11   27   29   36                                       
CONECT   11   10   37   38   39                                       
CONECT   12    8    9   40   41                                       
CONECT   13    6   15   15    8                                       
CONECT   13   14   14                                                 
CONECT   14   13   13   42                                            
CONECT   15   13   13                                                 
CONECT   16    7    6    6   43                                       
CONECT   17    5    5    6   44                                       
CONECT   18   19    7    7    5                                       
CONECT   19    3   18   45                                            
CONECT   20    3    3    2                                            
CONECT   21    4    4    3                                            
CONECT   22   23   25    1   24                                       
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25   22                                                      
CONECT   26    2   27                                                 
CONECT   27   26   10   28   46                                       
CONECT   28   27   47   48   49                                       
CONECT   29   10   50                                                 
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
