COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.961   0.248  -0.129  1.00  0.00           N  
HETATM    2  N   UNL     1      -8.762  -2.025  -0.347  1.00  0.00           N  
HETATM    3  C   UNL     1       1.685   0.494  -0.387  1.00  0.00           C  
HETATM    4  C   UNL     1       2.573  -0.194   0.439  1.00  0.00           C  
HETATM    5  C   UNL     1       3.917   0.135   0.431  1.00  0.00           C  
HETATM    6  C   UNL     1       0.245   0.145  -0.382  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.316  -1.070  -0.793  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.165   0.810   0.205  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.155  -1.143   1.119  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.390  -1.197  -1.304  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.183   2.096   0.702  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.807   0.968   0.037  1.00  0.00           C  
HETATM   13  O   UNL     1       5.983  -2.525   1.642  1.00  0.00           O  
HETATM   14  S   UNL     1       5.403  -1.767   0.589  1.00  0.00           S  
HETATM   15  O   UNL     1       4.421  -2.291  -0.296  1.00  0.00           O  
HETATM   16  O   UNL     1       4.786  -0.535   1.235  1.00  0.00           O  
HETATM   17  C   UNL     1       4.380   1.151  -0.400  1.00  0.00           C  
HETATM   18  O   UNL     1       5.702   1.474  -0.407  1.00  0.00           O  
HETATM   19  C   UNL     1       6.108   2.526  -1.284  1.00  0.00           C  
HETATM   20  C   UNL     1       2.154   1.515  -1.213  1.00  0.00           C  
HETATM   21  C   UNL     1       3.497   1.835  -1.221  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.616  -1.008  -0.640  1.00  0.00           N  
HETATM   23  C   UNL     1       0.449  -2.256  -1.321  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.842   2.214   0.520  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.980   2.785   0.851  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.983   4.191   1.393  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.338   0.104   0.045  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.618   0.718   0.406  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.736  -0.257   0.139  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.369  -0.289  -1.095  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.183  -2.023   0.837  1.00  0.00           C  
HETATM   32  H   UNL     1       2.213  -0.983   1.083  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.684  -1.146   2.091  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.888  -1.229  -2.261  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.118   2.565   0.973  1.00  0.00           H  
HETATM   36  H   UNL     1       5.867   2.257  -2.312  1.00  0.00           H  
HETATM   37  H   UNL     1       5.584   3.444  -1.017  1.00  0.00           H  
HETATM   38  H   UNL     1       7.183   2.682  -1.191  1.00  0.00           H  
HETATM   39  H   UNL     1       1.467   2.053  -1.850  1.00  0.00           H  
HETATM   40  H   UNL     1       3.858   2.627  -1.861  1.00  0.00           H  
HETATM   41  H   UNL     1       0.726  -2.907  -0.492  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.174  -2.807  -2.024  1.00  0.00           H  
HETATM   43  H   UNL     1       1.350  -1.910  -1.827  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.961   4.566   1.438  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.576   4.831   0.739  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.416   4.194   2.394  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.315  -0.800  -0.305  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.610   0.979   1.464  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.770   1.617  -0.190  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.068   0.386  -1.882  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.515  -2.716   1.595  1.00  0.00           H  
HETATM   52  F   UNL     1       6.622  -1.262  -0.333  1.00  0.00           F  
CONECT    1   22   12    8                                            
CONECT    2   31   31   10                                            
CONECT    3   20    6    4    4                                       
CONECT    4    3    3    5   32                                       
CONECT    5   17   17    4   16                                       
CONECT    6    3    7   12   12                                       
CONECT    7   23    6   22   22                                       
CONECT    8    1   27   11   11                                       
CONECT    9   29   29   31   33                                       
CONECT   10   30   30    2   34                                       
CONECT   11    8    8   25   35                                       
CONECT   12    6    6    1   24                                       
CONECT   13   14   14                                                 
CONECT   14   16   13   13   15                                       
CONECT   14   15   52                                                 
CONECT   15   14   14                                                 
CONECT   16    5   14                                                 
CONECT   17   21   18    5    5                                       
CONECT   18   19   17                                                 
CONECT   19   18   36   37   38                                       
CONECT   20   21   21    3   39                                       
CONECT   21   20   20   17   40                                       
CONECT   22    7    7    1                                            
CONECT   23    7   41   42   43                                       
CONECT   24   12   25   25                                            
CONECT   25   24   24   11   26                                       
CONECT   26   25   44   45   46                                       
CONECT   27    8   28   47                                            
CONECT   28   27   29   48   49                                       
CONECT   29   28    9    9   30                                       
CONECT   30   29   10   10   50                                       
CONECT   31    9    2    2   51                                       
CONECT   32    4                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   30                                                      
CONECT   51   31                                                      
CONECT   52   14                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
