COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.408  -1.830   2.407  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.435  -0.954   1.936  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.199  -0.300   0.775  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.003  -0.518   0.130  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.192   0.567   0.280  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.031   1.250  -0.867  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.999   2.075  -1.318  1.00  0.00           O  
HETATM    8  C   UNL     1      -7.183   2.180  -0.525  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.743   1.078  -1.643  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.708   0.131  -1.073  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.562  -0.076  -1.692  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.603  -0.838  -1.108  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.520  -2.132  -1.383  1.00  0.00           N  
HETATM   14  C   UNL     1       0.430  -2.878  -0.803  1.00  0.00           C  
HETATM   15  C   UNL     1       0.527  -4.252  -1.088  1.00  0.00           C  
HETATM   16  C   UNL     1       1.497  -5.000  -0.493  1.00  0.00           C  
HETATM   17  C   UNL     1       2.398  -4.424   0.397  1.00  0.00           C  
HETATM   18  C   UNL     1       2.334  -3.096   0.696  1.00  0.00           C  
HETATM   19  C   UNL     1       1.347  -2.292   0.102  1.00  0.00           C  
HETATM   20  N   UNL     1       1.276  -0.983   0.389  1.00  0.00           N  
HETATM   21  C   UNL     1       0.352  -0.234  -0.174  1.00  0.00           C  
HETATM   22  N   UNL     1       0.279   1.118   0.117  1.00  0.00           N  
HETATM   23  S   UNL     1       1.359   1.797   1.173  1.00  0.00           S  
HETATM   24  O   UNL     1       1.047   3.181   1.231  1.00  0.00           O  
HETATM   25  O   UNL     1       1.384   0.956   2.318  1.00  0.00           O  
HETATM   26  C   UNL     1       2.955   1.678   0.434  1.00  0.00           C  
HETATM   27  C   UNL     1       3.419   2.697  -0.376  1.00  0.00           C  
HETATM   28  C   UNL     1       4.670   2.605  -0.956  1.00  0.00           C  
HETATM   29  C   UNL     1       5.459   1.491  -0.725  1.00  0.00           C  
HETATM   30  F   UNL     1       6.682   1.400  -1.291  1.00  0.00           F  
HETATM   31  C   UNL     1       4.993   0.470   0.087  1.00  0.00           C  
HETATM   32  C   UNL     1       3.744   0.567   0.670  1.00  0.00           C  
HETATM   33  H   UNL     1      -3.226  -2.608   1.665  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.493  -1.263   2.571  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.724  -2.289   3.344  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.283  -1.199   0.558  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.109   0.686   0.837  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.999   0.726  -2.642  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.281   2.060  -1.747  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.924   2.548   0.468  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.878   2.872  -0.999  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.651   1.199  -0.438  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.167  -4.712  -1.776  1.00  0.00           H  
HETATM   44  H   UNL     1       1.567  -6.055  -0.715  1.00  0.00           H  
HETATM   45  H   UNL     1       3.159  -5.037   0.857  1.00  0.00           H  
HETATM   46  H   UNL     1       3.040  -2.662   1.388  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.405   1.667  -0.297  1.00  0.00           H  
HETATM   48  H   UNL     1       2.803   3.566  -0.556  1.00  0.00           H  
HETATM   49  H   UNL     1       3.382  -0.227   1.307  1.00  0.00           H  
HETATM   50  H   UNL     1       5.032   3.401  -1.589  1.00  0.00           H  
HETATM   51  H   UNL     1       5.608  -0.399   0.268  1.00  0.00           H  
CONECT    1    2   33   34   35                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    5                                       
CONECT    4    3    3   10   36                                       
CONECT    5    3    6    6   37                                       
CONECT    6    5    5    7    9                                       
CONECT    7    6    8                                                 
CONECT    8    7   40   41   42                                       
CONECT    9    6   10   38   39                                       
CONECT   10    4    9   11   11                                       
CONECT   11   10   10   12                                            
CONECT   12   11   13   21   21                                       
CONECT   13   12   14   14                                            
CONECT   14   13   13   15   19                                       
CONECT   15   14   16   16   43                                       
CONECT   16   15   15   17   44                                       
CONECT   17   16   18   18   45                                       
CONECT   18   17   17   19   46                                       
CONECT   19   14   18   20   20                                       
CONECT   20   19   19   21                                            
CONECT   21   12   12   20   22                                       
CONECT   22   21   23   47                                            
CONECT   23   22   24   24   25                                       
CONECT   23   25   26                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   23   27   32   32                                       
CONECT   27   26   28   28   48                                       
CONECT   28   27   27   29   50                                       
CONECT   29   28   30   31   31                                       
CONECT   30   29                                                      
CONECT   31   29   29   32   51                                       
CONECT   32   26   26   31   49                                       
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   22                                                      
CONECT   48   27                                                      
CONECT   49   32                                                      
CONECT   50   28                                                      
CONECT   51   31                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
