COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -8.205   1.404   0.383  1.00  0.00           F  
HETATM    2  C   UNL     1      -7.501   1.584  -0.812  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.028   1.233  -0.595  1.00  0.00           C  
HETATM    4  O   UNL     1      -5.909  -0.159  -0.292  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.656  -0.637  -0.069  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.569   0.213  -0.140  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.469  -1.984   0.237  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.540  -2.818   0.311  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.276  -4.186   0.629  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.192  -2.475   0.466  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.102  -1.633   0.391  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.283  -0.282   0.090  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.117   0.623   0.016  1.00  0.00           C  
HETATM   14  N   UNL     1       0.124   0.274   0.206  1.00  0.00           N  
HETATM   15  S   UNL     1      -1.181   2.345  -0.351  1.00  0.00           S  
HETATM   16  C   UNL     1       0.573   2.438  -0.197  1.00  0.00           C  
HETATM   17  C   UNL     1       1.411   3.678  -0.374  1.00  0.00           C  
HETATM   18  C   UNL     1       1.032   1.218   0.099  1.00  0.00           C  
HETATM   19  C   UNL     1       2.500   0.941   0.296  1.00  0.00           C  
HETATM   20  C   UNL     1       2.790   0.767   1.789  1.00  0.00           C  
HETATM   21  S   UNL     1       2.953  -0.572  -0.587  1.00  0.00           S  
HETATM   22  C   UNL     1       4.695  -0.572  -0.321  1.00  0.00           C  
HETATM   23  N   UNL     1       5.240   0.408   0.385  1.00  0.00           N  
HETATM   24  N   UNL     1       5.425  -1.554  -0.828  1.00  0.00           N  
HETATM   25  C   UNL     1       6.743  -1.587  -0.648  1.00  0.00           C  
HETATM   26  N   UNL     1       7.500  -2.618  -1.182  1.00  0.00           N  
HETATM   27  C   UNL     1       7.352  -0.572   0.084  1.00  0.00           C  
HETATM   28  C   UNL     1       6.552   0.441   0.606  1.00  0.00           C  
HETATM   29  N   UNL     1       7.114   1.469   1.347  1.00  0.00           N  
HETATM   30  H   UNL     1      -7.919   0.935  -1.582  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.583   2.623  -1.130  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.463   1.457  -1.499  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.633   1.820   0.235  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.712   1.257  -0.373  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.214  -4.740   0.656  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.622  -4.616  -0.130  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.791  -4.246   1.603  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.051  -3.519   0.703  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.109  -2.018   0.570  1.00  0.00           H  
HETATM   40  H   UNL     1       0.764   4.522  -0.615  1.00  0.00           H  
HETATM   41  H   UNL     1       1.951   3.886   0.550  1.00  0.00           H  
HETATM   42  H   UNL     1       2.123   3.522  -1.184  1.00  0.00           H  
HETATM   43  H   UNL     1       3.082   1.777  -0.092  1.00  0.00           H  
HETATM   44  H   UNL     1       2.207  -0.069   2.177  1.00  0.00           H  
HETATM   45  H   UNL     1       3.852   0.567   1.931  1.00  0.00           H  
HETATM   46  H   UNL     1       2.517   1.678   2.321  1.00  0.00           H  
HETATM   47  H   UNL     1       7.069  -3.322  -1.691  1.00  0.00           H  
HETATM   48  H   UNL     1       8.460  -2.635  -1.046  1.00  0.00           H  
HETATM   49  H   UNL     1       8.420  -0.572   0.248  1.00  0.00           H  
HETATM   50  H   UNL     1       6.550   2.171   1.708  1.00  0.00           H  
HETATM   51  H   UNL     1       8.071   1.487   1.504  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3   30   31                                       
CONECT    3    2    4   32   33                                       
CONECT    4    3    5                                                 
CONECT    5    4    6    6    7                                       
CONECT    6    5    5   12   34                                       
CONECT    7    5    8   10   10                                       
CONECT    8    7    9                                                 
CONECT    9    8   35   36   37                                       
CONECT   10    7    7   11   38                                       
CONECT   11   12   12   10   39                                       
CONECT   12    6   13   11   11                                       
CONECT   13   14   14   12   15                                       
CONECT   14   18   13   13                                            
CONECT   15   13   16                                                 
CONECT   16   18   18   15   17                                       
CONECT   17   16   40   41   42                                       
CONECT   18   14   19   16   16                                       
CONECT   19   20   21   18   43                                       
CONECT   20   19   44   45   46                                       
CONECT   21   19   22                                                 
CONECT   22   21   23   23   24                                       
CONECT   23   22   22   28                                            
CONECT   24   22   25   25                                            
CONECT   25   24   24   27   26                                       
CONECT   26   25   47   48                                            
CONECT   27   28   28   25   49                                       
CONECT   28   23   29   27   27                                       
CONECT   29   28   50   51                                            
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    6                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
