COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.948  -0.560   0.049  1.00  0.00           N  
HETATM    2  N   UNL     1       2.654  -2.169  -0.154  1.00  0.00           N  
HETATM    3  C   UNL     1       4.471   0.409   0.317  1.00  0.00           C  
HETATM    4  C   UNL     1       5.153   1.144  -0.652  1.00  0.00           C  
HETATM    5  C   UNL     1       6.530   1.262  -0.584  1.00  0.00           C  
HETATM    6  C   UNL     1       6.415   2.583  -2.558  1.00  0.00           C  
HETATM    7  C   UNL     1       2.996   0.280   0.249  1.00  0.00           C  
HETATM    8  C   UNL     1       2.396   2.765   0.632  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.726  -1.645  -0.274  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.652  -0.986   0.986  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.578  -0.612  -1.385  1.00  0.00           C  
HETATM   12  C   UNL     1       1.768  -3.125  -0.336  1.00  0.00           C  
HETATM   13  C   UNL     1       2.230  -4.544  -0.547  1.00  0.00           C  
HETATM   14  C   UNL     1       2.275  -0.901   0.037  1.00  0.00           C  
HETATM   15  O   UNL     1      -6.307   2.044  -0.506  1.00  0.00           O  
HETATM   16  S   UNL     1      -7.485   1.543   0.112  1.00  0.00           S  
HETATM   17  O   UNL     1      -8.789   2.004  -0.213  1.00  0.00           O  
HETATM   18  O   UNL     1      -7.489   0.040  -0.125  1.00  0.00           O  
HETATM   19  C   UNL     1      -6.249  -0.515  -0.174  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.392  -1.550   0.934  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.318  -1.176  -1.432  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.349  -2.255  -0.328  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.343  -1.208  -0.128  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.003  -1.529  -0.136  1.00  0.00           C  
HETATM   25  C   UNL     1       0.405  -2.832  -0.332  1.00  0.00           C  
HETATM   26  N   UNL     1       0.858   0.818   0.273  1.00  0.00           N  
HETATM   27  C   UNL     1       2.065   1.316   0.389  1.00  0.00           C  
HETATM   28  C   UNL     1       5.180  -0.210   1.347  1.00  0.00           C  
HETATM   29  C   UNL     1       6.553  -0.089   1.409  1.00  0.00           C  
HETATM   30  O   UNL     1       7.199   1.979  -1.527  1.00  0.00           O  
HETATM   31  C   UNL     1       7.232   0.647   0.449  1.00  0.00           C  
HETATM   32  O   UNL     1       8.585   0.762   0.514  1.00  0.00           O  
HETATM   33  C   UNL     1       9.242   0.101   1.597  1.00  0.00           C  
HETATM   34  H   UNL     1       4.608   1.620  -1.453  1.00  0.00           H  
HETATM   35  H   UNL     1       5.876   1.810  -3.106  1.00  0.00           H  
HETATM   36  H   UNL     1       5.702   3.277  -2.114  1.00  0.00           H  
HETATM   37  H   UNL     1       7.070   3.123  -3.242  1.00  0.00           H  
HETATM   38  H   UNL     1       2.506   3.279  -0.323  1.00  0.00           H  
HETATM   39  H   UNL     1       1.593   3.230   1.204  1.00  0.00           H  
HETATM   40  H   UNL     1       3.329   2.836   1.192  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.172  -0.912   1.930  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.041  -0.246  -2.290  1.00  0.00           H  
HETATM   43  H   UNL     1       3.319  -4.580  -0.517  1.00  0.00           H  
HETATM   44  H   UNL     1       1.823  -5.179   0.240  1.00  0.00           H  
HETATM   45  H   UNL     1       1.881  -4.899  -1.517  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.927  -1.917   1.837  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.796  -1.252  -2.374  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.253  -3.005   0.457  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.196  -2.724  -1.300  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.620  -0.289   0.010  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.323  -3.616  -0.481  1.00  0.00           H  
HETATM   52  H   UNL     1       4.654  -0.783   2.096  1.00  0.00           H  
HETATM   53  H   UNL     1       7.101  -0.568   2.207  1.00  0.00           H  
HETATM   54  H   UNL     1       8.869   0.493   2.543  1.00  0.00           H  
HETATM   55  H   UNL     1       9.042  -0.970   1.544  1.00  0.00           H  
HETATM   56  H   UNL     1      10.316   0.273   1.531  1.00  0.00           H  
HETATM   57  F   UNL     1      -7.302   1.775   1.695  1.00  0.00           F  
CONECT    1   26   14   24                                            
CONECT    2   14   12   12                                            
CONECT    3   28    7    4    4                                       
CONECT    4    3    3    5   34                                       
CONECT    5   31   31    4   30                                       
CONECT    6   30   35   36   37                                       
CONECT    7    3   27   14   14                                       
CONECT    8   27   38   39   40                                       
CONECT    9   22   21   21   20                                       
CONECT   10   20   20   19   41                                       
CONECT   11   21   19   19   42                                       
CONECT   12    2    2   25   13                                       
CONECT   13   12   43   44   45                                       
CONECT   14    7    7    1    2                                       
CONECT   15   16   16                                                 
CONECT   16   18   15   15   17                                       
CONECT   16   17   57                                                 
CONECT   17   16   16                                                 
CONECT   18   19   16                                                 
CONECT   19   11   11   10   18                                       
CONECT   20    9   10   10   46                                       
CONECT   21    9    9   11   47                                       
CONECT   22   23    9   48   49                                       
CONECT   23   24   22   50                                            
CONECT   24    1   23   25   25                                       
CONECT   25   24   24   12   51                                       
CONECT   26   27   27    1                                            
CONECT   27    8    7   26   26                                       
CONECT   28   29   29    3   52                                       
CONECT   29   28   28   31   53                                       
CONECT   30    5    6                                                 
CONECT   31   29   32    5    5                                       
CONECT   32   33   31                                                 
CONECT   33   32   54   55   56                                       
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   25                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   33                                                      
CONECT   55   33                                                      
CONECT   56   33                                                      
CONECT   57   16                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
