COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.863  -0.921  -0.283  1.00  0.00           N  
HETATM    2  C   UNL     1       5.549  -0.489  -0.217  1.00  0.00           C  
HETATM    3  C   UNL     1       4.192  -0.187  -0.097  1.00  0.00           C  
HETATM    4  C   UNL     1       3.799   1.090   0.307  1.00  0.00           C  
HETATM    5  C   UNL     1       3.174  -1.215  -0.399  1.00  0.00           C  
HETATM    6  C   UNL     1       0.903  -1.920  -0.473  1.00  0.00           C  
HETATM    7  C   UNL     1       0.158  -3.896  -1.608  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.261  -1.918   0.285  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.953  -0.359  -1.470  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.372   1.882  -0.848  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.778   4.074  -0.143  1.00  0.00           C  
HETATM   12  C   UNL     1       4.755   2.047   0.588  1.00  0.00           C  
HETATM   13  C   UNL     1       6.101   1.742   0.467  1.00  0.00           C  
HETATM   14  C   UNL     1       6.497   0.475   0.071  1.00  0.00           C  
HETATM   15  F   UNL     1       4.377   3.284   0.980  1.00  0.00           F  
HETATM   16  F   UNL     1       7.811   0.184  -0.044  1.00  0.00           F  
HETATM   17  O   UNL     1       3.518  -2.326  -0.752  1.00  0.00           O  
HETATM   18  C   UNL     1       1.109  -2.911  -1.423  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.998  -3.895  -0.849  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.208  -2.905   0.094  1.00  0.00           C  
HETATM   21  S   UNL     1      -2.685  -2.905   1.055  1.00  0.00           S  
HETATM   22  N   UNL     1      -3.849  -2.134   0.164  1.00  0.00           N  
HETATM   23  O   UNL     1      -3.095  -4.261   1.162  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.430  -2.079   2.183  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.691  -0.785  -0.175  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.791   0.970  -1.806  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.116   1.459   0.448  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.272   0.128   0.784  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.212   3.191  -1.179  1.00  0.00           O  
HETATM   30  F   UNL     1      -3.710   4.062   0.900  1.00  0.00           F  
HETATM   31  F   UNL     1      -1.533   3.653   0.338  1.00  0.00           F  
HETATM   32  F   UNL     1      -2.666   5.372  -0.653  1.00  0.00           F  
HETATM   33  H   UNL     1       1.587  -0.017  -0.064  1.00  0.00           H  
HETATM   34  H   UNL     1       5.858  -1.475  -0.530  1.00  0.00           H  
HETATM   35  H   UNL     1       2.750   1.329   0.401  1.00  0.00           H  
HETATM   36  H   UNL     1       0.319  -4.670  -2.344  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.426  -1.146   1.021  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.278  -1.069  -2.217  1.00  0.00           H  
HETATM   39  H   UNL     1       6.845   2.493   0.691  1.00  0.00           H  
HETATM   40  H   UNL     1       2.011  -2.913  -2.016  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.738  -4.668  -0.993  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.640  -2.616  -0.122  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.989   1.301  -2.815  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.790   2.169   1.193  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.073  -0.201   1.793  1.00  0.00           H  
CONECT    1    5    6   33                                            
CONECT    2   14    3    3   34                                       
CONECT    3    2    2    4    5                                       
CONECT    4   12   12    3   35                                       
CONECT    5    3    1   17   17                                       
CONECT    6    1   18   18    8                                       
CONECT    7   18   19   19   36                                       
CONECT    8    6   20   20   37                                       
CONECT    9   26   26   25   38                                       
CONECT   10   29   27   27   26                                       
CONECT   11   30   32   31   29                                       
CONECT   12   13   15    4    4                                       
CONECT   13   14   14   12   39                                       
CONECT   14   16   13   13    2                                       
CONECT   15   12                                                      
CONECT   16   14                                                      
CONECT   17    5    5                                                 
CONECT   18    6    6    7   40                                       
CONECT   19    7    7   20   41                                       
CONECT   20    8    8   19   21                                       
CONECT   21   20   24   24   22                                       
CONECT   21   23   23                                                 
CONECT   22   25   21   42                                            
CONECT   23   21   21                                                 
CONECT   24   21   21                                                 
CONECT   25   28   28    9   22                                       
CONECT   26   10    9    9   43                                       
CONECT   27   10   10   28   44                                       
CONECT   28   27   25   25   45                                       
CONECT   29   11   10                                                 
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   13                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   22                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
