COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.069   0.652  -0.081  1.00  0.00           N  
HETATM    2  N   UNL     1       1.406   2.500   0.503  1.00  0.00           N  
HETATM    3  C   UNL     1       3.716   0.495  -0.396  1.00  0.00           C  
HETATM    4  C   UNL     1       4.538  -0.266   0.435  1.00  0.00           C  
HETATM    5  C   UNL     1       5.909  -0.085   0.401  1.00  0.00           C  
HETATM    6  C   UNL     1       2.247   0.305  -0.362  1.00  0.00           C  
HETATM    7  C   UNL     1       1.551  -0.849  -0.739  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.061   1.350   0.254  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.207  -0.127   1.285  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.965  -0.896  -0.152  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.365   0.696  -0.961  1.00  0.00           C  
HETATM   12  C   UNL     1       0.499   4.611   1.340  1.00  0.00           C  
HETATM   13  C   UNL     1       1.297   1.247   0.050  1.00  0.00           C  
HETATM   14  O   UNL     1     -10.364  -1.994   0.057  1.00  0.00           O  
HETATM   15  S   UNL     1      -9.378  -0.973  -0.016  1.00  0.00           S  
HETATM   16  O   UNL     1      -9.097  -0.086   1.058  1.00  0.00           O  
HETATM   17  O   UNL     1      -8.066  -1.666  -0.356  1.00  0.00           O  
HETATM   18  C   UNL     1      -6.326  -0.910   1.080  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.478  -0.095  -1.174  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.727   0.675   0.266  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.506   1.529   0.492  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.306   0.771   0.130  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.932   2.642   0.719  1.00  0.00           C  
HETATM   24  C   UNL     1       0.341   3.200   0.833  1.00  0.00           C  
HETATM   25  N   UNL     1       0.267  -0.641  -0.575  1.00  0.00           N  
HETATM   26  C   UNL     1       2.174  -2.121  -1.253  1.00  0.00           C  
HETATM   27  C   UNL     1       4.279   1.439  -1.254  1.00  0.00           C  
HETATM   28  C   UNL     1       5.648   1.615  -1.284  1.00  0.00           C  
HETATM   29  O   UNL     1       6.714  -0.826   1.209  1.00  0.00           O  
HETATM   30  S   UNL     1       7.183  -2.133   0.586  1.00  0.00           S  
HETATM   31  O   UNL     1       7.695  -2.923   1.650  1.00  0.00           O  
HETATM   32  O   UNL     1       6.136  -2.567  -0.271  1.00  0.00           O  
HETATM   33  C   UNL     1       6.466   0.855  -0.462  1.00  0.00           C  
HETATM   34  O   UNL     1       7.814   1.033  -0.495  1.00  0.00           O  
HETATM   35  C   UNL     1       8.317   2.018  -1.400  1.00  0.00           C  
HETATM   36  H   UNL     1       4.105  -0.995   1.104  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.709  -0.137   2.243  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.986   1.319  -1.756  1.00  0.00           H  
HETATM   39  H   UNL     1       1.557   4.872   1.362  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.031   5.295   0.678  1.00  0.00           H  
HETATM   41  H   UNL     1       0.085   4.684   2.345  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.703  -1.533   1.877  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.969  -0.089  -2.136  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.570   2.425  -0.125  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.452   1.815   1.543  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.387  -0.138  -0.197  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.806   3.216   0.990  1.00  0.00           H  
HETATM   48  H   UNL     1       2.393  -2.783  -0.415  1.00  0.00           H  
HETATM   49  H   UNL     1       1.482  -2.615  -1.935  1.00  0.00           H  
HETATM   50  H   UNL     1       3.098  -1.885  -1.780  1.00  0.00           H  
HETATM   51  H   UNL     1       3.644   2.033  -1.895  1.00  0.00           H  
HETATM   52  H   UNL     1       6.082   2.346  -1.950  1.00  0.00           H  
HETATM   53  H   UNL     1       8.031   1.755  -2.419  1.00  0.00           H  
HETATM   54  H   UNL     1       7.900   2.992  -1.145  1.00  0.00           H  
HETATM   55  H   UNL     1       9.404   2.057  -1.327  1.00  0.00           H  
HETATM   56  F   UNL     1      -9.770  -0.052  -1.277  1.00  0.00           F  
HETATM   57  F   UNL     1       8.434  -1.785  -0.365  1.00  0.00           F  
CONECT    1   25   13    8                                            
CONECT    2   13   24   24                                            
CONECT    3   27    6    4    4                                       
CONECT    4    3    3    5   36                                       
CONECT    5   33   33    4   29                                       
CONECT    6    3    7   13   13                                       
CONECT    7   26    6   25   25                                       
CONECT    8    1   22   23   23                                       
CONECT    9   20   20   18   37                                       
CONECT   10   18   18   19   17                                       
CONECT   11   20   19   19   38                                       
CONECT   12   24   39   40   41                                       
CONECT   13    6    6    1    2                                       
CONECT   14   15   15                                                 
CONECT   15   14   14   17   16                                       
CONECT   15   16   56                                                 
CONECT   16   15   15                                                 
CONECT   17   10   15                                                 
CONECT   18    9   10   10   42                                       
CONECT   19   11   11   10   43                                       
CONECT   20   21    9    9   11                                       
CONECT   21   22   20   44   45                                       
CONECT   22    8   21   46                                            
CONECT   23    8    8   24   47                                       
CONECT   24    2    2   23   12                                       
CONECT   25    7    7    1                                            
CONECT   26    7   48   49   50                                       
CONECT   27   28   28    3   51                                       
CONECT   28   27   27   33   52                                       
CONECT   29    5   30                                                 
CONECT   30   29   32   32   31                                       
CONECT   30   31   57                                                 
CONECT   31   30   30                                                 
CONECT   32   30   30                                                 
CONECT   33   28   34    5    5                                       
CONECT   34   35   33                                                 
CONECT   35   34   53   54   55                                       
CONECT   36    4                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   35                                                      
CONECT   54   35                                                      
CONECT   55   35                                                      
CONECT   56   15                                                      
CONECT   57   30                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
