COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -12.786  -0.040 -18.371  1.00  0.00           O1-
HETATM    2  C   UNL     1       8.527  -8.684 -16.171  1.00  0.00           C  
HETATM    3  O   UNL     1     -11.404   1.905 -18.876  1.00  0.00           O  
HETATM    4  S   UNL     1     -11.380   0.433 -18.595  1.00  0.00           S  
HETATM    5  O   UNL     1     -10.825  -0.269 -19.798  1.00  0.00           O  
HETATM    6  C   UNL     1     -12.471   1.607 -14.538  1.00  0.00           C  
HETATM    7  C   UNL     1     -12.034   1.205 -15.795  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.835   0.514 -15.928  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.405   0.100 -17.183  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.204  -0.589 -17.307  1.00  0.00           C  
HETATM   11  C   UNL     1     -11.701   1.324 -13.414  1.00  0.00           C  
HETATM   12  C   UNL     1     -10.503   0.633 -13.549  1.00  0.00           C  
HETATM   13  C   UNL     1     -10.070   0.226 -14.805  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.871  -0.466 -14.929  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.428  -0.866 -16.187  1.00  0.00           C  
HETATM   16  N   UNL     1      -7.223  -1.401 -16.381  1.00  0.00           N  
HETATM   17  N   UNL     1      -6.418  -1.554 -15.466  1.00  0.00           N  
HETATM   18  C   UNL     1      -5.232  -2.107 -15.710  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.916  -2.533 -16.994  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.686  -3.127 -17.246  1.00  0.00           C  
HETATM   21  O   UNL     1       6.667  -9.724 -19.375  1.00  0.00           O1-
HETATM   22  N   UNL     1      -8.256  -0.859 -13.816  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.319  -2.272 -14.678  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.086  -2.867 -14.926  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.772  -3.295 -16.213  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.549  -3.911 -16.464  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.595  -4.012 -15.455  1.00  0.00           C  
HETATM   28  C   UNL     1       0.616  -4.643 -15.708  1.00  0.00           C  
HETATM   29  S   UNL     1       5.750  -8.547 -19.542  1.00  0.00           S  
HETATM   30  N   UNL     1       4.696  -6.130 -14.313  1.00  0.00           N  
HETATM   31  O   UNL     1       6.381  -7.561 -20.478  1.00  0.00           O  
HETATM   32  O   UNL     1       4.457  -9.034 -20.125  1.00  0.00           O  
HETATM   33  C   UNL     1      -1.288  -4.436 -17.724  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.076  -5.068 -17.977  1.00  0.00           C  
HETATM   35  C   UNL     1       0.878  -5.170 -16.968  1.00  0.00           C  
HETATM   36  N   UNL     1       2.026  -5.799 -17.203  1.00  0.00           N  
HETATM   37  N   UNL     1       2.858  -5.914 -16.304  1.00  0.00           N  
HETATM   38  C   UNL     1       4.008  -6.546 -16.528  1.00  0.00           C  
HETATM   39  C   UNL     1       4.943  -6.664 -15.506  1.00  0.00           C  
HETATM   40  C   UNL     1       6.133  -7.347 -15.726  1.00  0.00           C  
HETATM   41  C   UNL     1       7.070  -7.449 -14.706  1.00  0.00           C  
HETATM   42  C   UNL     1       8.269  -8.116 -14.928  1.00  0.00           C  
HETATM   43  C   UNL     1       4.265  -7.110 -17.773  1.00  0.00           C  
HETATM   44  C   UNL     1       5.453  -7.798 -17.990  1.00  0.00           C  
HETATM   45  C   UNL     1       6.388  -7.915 -16.968  1.00  0.00           C  
HETATM   46  C   UNL     1       7.586  -8.583 -17.191  1.00  0.00           C  
HETATM   47 NA   UNL     1     -13.016  -0.677 -19.037  1.00  0.00          Na1+
HETATM   48  H   UNL     1       9.458  -9.204 -16.345  1.00  0.00           H  
HETATM   49  H   UNL     1     -13.406   2.138 -14.434  1.00  0.00           H  
HETATM   50  H   UNL     1     -12.627   1.430 -16.669  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.871  -0.912 -18.282  1.00  0.00           H  
HETATM   52  H   UNL     1     -12.034   1.641 -12.437  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.907   0.412 -12.676  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.627  -2.402 -17.796  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.440  -3.458 -18.244  1.00  0.00           H  
HETATM   56 NA   UNL     1       6.229 -10.512 -19.673  1.00  0.00          Na1+
HETATM   57  H   UNL     1      -7.413  -1.341 -14.053  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.037  -0.060 -13.256  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.566  -1.938 -13.681  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.375  -2.996 -14.123  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.796  -3.600 -14.477  1.00  0.00           H  
HETATM   62  H   UNL     1       1.355  -4.725 -14.925  1.00  0.00           H  
HETATM   63  H   UNL     1       5.467  -6.307 -13.702  1.00  0.00           H  
HETATM   64  H   UNL     1       4.567  -5.143 -14.410  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.027  -4.353 -18.507  1.00  0.00           H  
HETATM   66  H   UNL     1       0.125  -5.479 -18.955  1.00  0.00           H  
HETATM   67  H   UNL     1       6.867  -7.010 -13.740  1.00  0.00           H  
HETATM   68  H   UNL     1       8.999  -8.193 -14.136  1.00  0.00           H  
HETATM   69  H   UNL     1       3.543  -7.014 -18.570  1.00  0.00           H  
HETATM   70  H   UNL     1       7.787  -9.024 -18.156  1.00  0.00           H  
CONECT    1    4   47                                                 
CONECT    2   42   42   46   48                                       
CONECT    3    4    4                                                 
CONECT    4    1    3    3    5                                       
CONECT    4    5    9                                                 
CONECT    5    4    4                                                 
CONECT    6    7    7   11   49                                       
CONECT    7    6    6    8   50                                       
CONECT    8    7    9    9   13                                       
CONECT    9    4    8    8   10                                       
CONECT   10    9   15   15   51                                       
CONECT   11    6   12   12   52                                       
CONECT   12   11   11   13   53                                       
CONECT   13    8   12   14   14                                       
CONECT   14   13   13   15   22                                       
CONECT   15   10   10   14   16                                       
CONECT   16   15   17   17                                            
CONECT   17   16   16   18                                            
CONECT   18   17   19   19   23                                       
CONECT   19   18   18   20   54                                       
CONECT   20   19   25   25   55                                       
CONECT   21   29   56                                                 
CONECT   22   14   57   58                                            
CONECT   23   18   24   24   59                                       
CONECT   24   23   23   25   60                                       
CONECT   25   20   20   24   26                                       
CONECT   26   25   27   27   33                                       
CONECT   27   26   26   28   61                                       
CONECT   28   27   35   35   62                                       
CONECT   29   21   31   31   32                                       
CONECT   29   32   44                                                 
CONECT   30   39   63   64                                            
CONECT   31   29   29                                                 
CONECT   32   29   29                                                 
CONECT   33   26   34   34   65                                       
CONECT   34   33   33   35   66                                       
CONECT   35   28   28   34   36                                       
CONECT   36   35   37   37                                            
CONECT   37   36   36   38                                            
CONECT   38   37   39   39   43                                       
CONECT   39   30   38   38   40                                       
CONECT   40   39   41   41   45                                       
CONECT   41   40   40   42   67                                       
CONECT   42    2    2   41   68                                       
CONECT   43   38   44   44   69                                       
CONECT   44   29   43   43   45                                       
CONECT   45   40   44   46   46                                       
CONECT   46    2   45   45   70                                       
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   41                                                      
CONECT   68   42                                                      
CONECT   69   43                                                      
CONECT   70   46                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
