COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -6.550  -0.875  -1.928  1.00  0.00           F  
HETATM    2  C   UNL     1      -6.586  -0.673  -0.544  1.00  0.00           C  
HETATM    3  F   UNL     1      -6.899   0.664  -0.276  1.00  0.00           F  
HETATM    4  F   UNL     1      -7.558  -1.502   0.024  1.00  0.00           F  
HETATM    5  C   UNL     1      -5.239  -1.001   0.046  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.276  -0.016   0.160  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.969  -2.286   0.479  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.734  -2.592   1.022  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.766  -1.613   1.134  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.035  -0.320   0.704  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.057   0.674   0.816  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.755   0.357   0.672  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.436  -0.772   0.353  1.00  0.00           O  
HETATM   14  N   UNL     1       0.193   1.291   0.881  1.00  0.00           N  
HETATM   15  C   UNL     1       1.538   0.990   0.640  1.00  0.00           C  
HETATM   16  C   UNL     1       2.013  -0.295   0.854  1.00  0.00           C  
HETATM   17  C   UNL     1       3.341  -0.591   0.615  1.00  0.00           C  
HETATM   18  S   UNL     1       3.938  -2.226   0.889  1.00  0.00           S  
HETATM   19  O   UNL     1       5.338  -2.111   1.106  1.00  0.00           O  
HETATM   20  O   UNL     1       3.054  -2.825   1.826  1.00  0.00           O  
HETATM   21  N   UNL     1       3.752  -3.060  -0.529  1.00  0.00           N  
HETATM   22  C   UNL     1       4.511  -2.664  -1.718  1.00  0.00           C  
HETATM   23  C   UNL     1       3.824  -2.812  -3.077  1.00  0.00           C  
HETATM   24  C   UNL     1       4.947  -3.771  -2.679  1.00  0.00           C  
HETATM   25  C   UNL     1       4.205   0.390   0.162  1.00  0.00           C  
HETATM   26  C   UNL     1       3.746   1.674  -0.056  1.00  0.00           C  
HETATM   27  C   UNL     1       2.408   1.983   0.176  1.00  0.00           C  
HETATM   28  C   UNL     1       1.909   3.359  -0.062  1.00  0.00           C  
HETATM   29  C   UNL     1       2.548   4.491   0.441  1.00  0.00           C  
HETATM   30  C   UNL     1       1.969   5.648   0.128  1.00  0.00           C  
HETATM   31  S   UNL     1       0.538   5.356  -0.851  1.00  0.00           S  
HETATM   32  C   UNL     1       0.804   3.619  -0.786  1.00  0.00           C  
HETATM   33  H   UNL     1      -4.489   0.988  -0.175  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.724  -3.053   0.393  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.527  -3.596   1.360  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.803  -1.852   1.559  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.316   1.591   0.996  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.056   2.173   1.199  1.00  0.00           H  
HETATM   39  H   UNL     1       1.343  -1.066   1.207  1.00  0.00           H  
HETATM   40  H   UNL     1       3.139  -3.811  -0.573  1.00  0.00           H  
HETATM   41  H   UNL     1       5.185  -1.818  -1.584  1.00  0.00           H  
HETATM   42  H   UNL     1       2.807  -3.204  -3.086  1.00  0.00           H  
HETATM   43  H   UNL     1       4.047  -2.064  -3.837  1.00  0.00           H  
HETATM   44  H   UNL     1       5.909  -3.654  -3.178  1.00  0.00           H  
HETATM   45  H   UNL     1       4.670  -4.795  -2.427  1.00  0.00           H  
HETATM   46  H   UNL     1       5.241   0.151  -0.023  1.00  0.00           H  
HETATM   47  H   UNL     1       4.423   2.438  -0.409  1.00  0.00           H  
HETATM   48  H   UNL     1       3.445   4.434   1.040  1.00  0.00           H  
HETATM   49  H   UNL     1       2.324   6.621   0.431  1.00  0.00           H  
HETATM   50  H   UNL     1       0.180   2.874  -1.258  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    5    1    3    4                                       
CONECT    3    2                                                      
CONECT    4    2                                                      
CONECT    5    7    7    6    2                                       
CONECT    6   10   10    5   33                                       
CONECT    7    8    5    5   34                                       
CONECT    8    9    9    7   35                                       
CONECT    9    8    8   10   36                                       
CONECT   10    9   11    6    6                                       
CONECT   11   10   12   37                                            
CONECT   12   11   14   13   13                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   38                                            
CONECT   15   14   27   27   16                                       
CONECT   16   15   17   17   39                                       
CONECT   17   16   16   25   18                                       
CONECT   18   17   20   20   19                                       
CONECT   18   19   21                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   18   22   40                                            
CONECT   22   21   23   24   41                                       
CONECT   23   22   24   42   43                                       
CONECT   24   22   23   44   45                                       
CONECT   25   26   26   17   46                                       
CONECT   26   27   25   25   47                                       
CONECT   27   28   15   15   26                                       
CONECT   28   29   32   32   27                                       
CONECT   29   30   30   28   48                                       
CONECT   30   31   29   29   49                                       
CONECT   31   30   32                                                 
CONECT   32   31   28   28   50                                       
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   11                                                      
CONECT   38   14                                                      
CONECT   39   16                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
CONECT   50   32                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
