COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.727  -1.852   1.300  1.00  0.00           O  
HETATM    2  S   UNL     1      -8.165  -2.015   1.156  1.00  0.00           S  
HETATM    3  O   UNL     1      -8.520  -2.633  -0.112  1.00  0.00           O  
HETATM    4  O   UNL     1      -8.752  -2.715   2.288  1.00  0.00           O1-
HETATM    5  C   UNL     1      -8.861  -0.396   1.144  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.267   0.622   0.381  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.980  -0.127   1.871  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.547   1.146   1.869  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.998   2.157   1.141  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.839   1.918   0.384  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.245   2.937  -0.380  1.00  0.00           C  
HETATM   12  S   UNL     1      -8.953   4.550  -0.399  1.00  0.00           S  
HETATM   13  O   UNL     1      -8.453   5.214  -1.593  1.00  0.00           O  
HETATM   14  O   UNL     1     -10.397   4.374  -0.437  1.00  0.00           O1-
HETATM   15  O   UNL     1      -8.516   5.215   0.819  1.00  0.00           O  
HETATM   16  C   UNL     1      -7.122   2.678  -1.105  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.544   1.411  -1.105  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.109   0.378  -0.389  1.00  0.00           C  
HETATM   19  N   UNL     1      -6.528  -0.890  -0.406  1.00  0.00           N  
HETATM   20  C   UNL     1      -5.188  -1.019  -0.339  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.483  -0.029  -0.327  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.577  -2.363  -0.280  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.204  -2.499  -0.073  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.372  -3.501  -0.424  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.799  -4.755  -0.368  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.438  -4.890  -0.170  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.638  -3.763  -0.019  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.261  -3.905   0.187  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.405  -3.006  -0.338  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.832  -2.038  -0.938  1.00  0.00           O  
HETATM   31  N   UNL     1       0.924  -3.180  -0.198  1.00  0.00           N  
HETATM   32  C   UNL     1       1.811  -2.211  -0.680  1.00  0.00           C  
HETATM   33  C   UNL     1       2.990  -1.949   0.001  1.00  0.00           C  
HETATM   34  C   UNL     1       1.513  -1.514  -1.845  1.00  0.00           C  
HETATM   35  C   UNL     1       2.386  -0.556  -2.326  1.00  0.00           C  
HETATM   36  C   UNL     1       3.560  -0.285  -1.652  1.00  0.00           C  
HETATM   37  C   UNL     1       3.871  -0.983  -0.483  1.00  0.00           C  
HETATM   38  C   UNL     1       5.127  -0.694   0.241  1.00  0.00           C  
HETATM   39  O   UNL     1       5.390  -1.295   1.264  1.00  0.00           O  
HETATM   40  N   UNL     1       5.980   0.236  -0.233  1.00  0.00           N  
HETATM   41  C   UNL     1       7.181   0.484   0.431  1.00  0.00           C  
HETATM   42  C   UNL     1       8.368   0.700  -0.300  1.00  0.00           C  
HETATM   43  C   UNL     1       8.374   0.672  -1.704  1.00  0.00           C  
HETATM   44  S   UNL     1       6.883   0.362  -2.589  1.00  0.00           S  
HETATM   45  O   UNL     1       7.268  -0.014  -3.941  1.00  0.00           O  
HETATM   46  O   UNL     1       6.200  -0.719  -1.896  1.00  0.00           O1-
HETATM   47  O   UNL     1       6.116   1.598  -2.564  1.00  0.00           O  
HETATM   48  C   UNL     1       9.538   0.885  -2.377  1.00  0.00           C  
HETATM   49  C   UNL     1      10.727   1.131  -1.693  1.00  0.00           C  
HETATM   50  C   UNL     1      10.759   1.166  -0.333  1.00  0.00           C  
HETATM   51  C   UNL     1       9.576   0.951   0.396  1.00  0.00           C  
HETATM   52  C   UNL     1       9.571   0.981   1.801  1.00  0.00           C  
HETATM   53  S   UNL     1      11.066   1.292   2.681  1.00  0.00           S  
HETATM   54  O   UNL     1      12.121   0.574   1.983  1.00  0.00           O  
HETATM   55  O   UNL     1      11.276   2.731   2.656  1.00  0.00           O1-
HETATM   56  O   UNL     1      10.868   0.793   4.033  1.00  0.00           O  
HETATM   57  C   UNL     1       8.411   0.770   2.481  1.00  0.00           C  
HETATM   58  C   UNL     1       7.218   0.526   1.809  1.00  0.00           C  
HETATM   59  H   UNL     1     -10.436  -0.911   2.457  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.439   1.332   2.450  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.449   3.138   1.149  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.673   3.467  -1.689  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.653   1.232  -1.689  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.089  -1.679  -0.466  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.584  -1.622   0.043  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.437  -3.401  -0.579  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.416  -5.635  -0.480  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.995  -5.874  -0.127  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.923  -4.650   0.708  1.00  0.00           H  
HETATM   70  H   UNL     1       1.266  -3.977   0.236  1.00  0.00           H  
HETATM   71  H   UNL     1       3.225  -2.492   0.905  1.00  0.00           H  
HETATM   72  H   UNL     1       0.597  -1.722  -2.377  1.00  0.00           H  
HETATM   73  H   UNL     1       2.150  -0.018  -3.232  1.00  0.00           H  
HETATM   74  H   UNL     1       4.239   0.465  -2.030  1.00  0.00           H  
HETATM   75  H   UNL     1       5.758   0.732  -1.037  1.00  0.00           H  
HETATM   76  H   UNL     1       9.540   0.862  -3.457  1.00  0.00           H  
HETATM   77  H   UNL     1      11.637   1.296  -2.251  1.00  0.00           H  
HETATM   78  H   UNL     1      11.688   1.357   0.184  1.00  0.00           H  
HETATM   79  H   UNL     1       8.417   0.795   3.561  1.00  0.00           H  
HETATM   80  H   UNL     1       6.310   0.366   2.372  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    3    5    1                                       
CONECT    2    1    4                                                 
CONECT    3    2    2                                                 
CONECT    4    2                                                      
CONECT    5    7    7    6    2                                       
CONECT    6    5   10   18   18                                       
CONECT    7    8    5    5   59                                       
CONECT    8    9    9    7   60                                       
CONECT    9    8    8   10   61                                       
CONECT   10    9   11   11    6                                       
CONECT   11   12   10   10   16                                       
CONECT   12   13   13   11   15                                       
CONECT   12   15   14                                                 
CONECT   13   12   12                                                 
CONECT   14   12                                                      
CONECT   15   12   12                                                 
CONECT   16   11   17   17   62                                       
CONECT   17   16   16   18   63                                       
CONECT   18    6    6   17   19                                       
CONECT   19   18   20   64                                            
CONECT   20   19   22   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   23   20   24   24                                       
CONECT   23   27   27   22   65                                       
CONECT   24   22   22   25   66                                       
CONECT   25   26   26   24   67                                       
CONECT   26   27   25   25   68                                       
CONECT   27   28   23   23   26                                       
CONECT   28   29   27   69                                            
CONECT   29   30   30   31   28                                       
CONECT   30   29   29                                                 
CONECT   31   32   29   70                                            
CONECT   32   34   34   33   31                                       
CONECT   33   37   37   32   71                                       
CONECT   34   35   32   32   72                                       
CONECT   35   36   36   34   73                                       
CONECT   36   35   35   37   74                                       
CONECT   37   36   38   33   33                                       
CONECT   38   39   39   37   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   75                                            
CONECT   41   40   58   58   42                                       
CONECT   42   41   43   43   51                                       
CONECT   43   44   42   42   48                                       
CONECT   44   45   45   47   47                                       
CONECT   44   43   46                                                 
CONECT   45   44   44                                                 
CONECT   46   44                                                      
CONECT   47   44   44                                                 
CONECT   48   43   49   49   76                                       
CONECT   49   48   48   50   77                                       
CONECT   50   51   51   49   78                                       
CONECT   51   42   52   50   50                                       
CONECT   52   57   57   51   53                                       
CONECT   53   56   56   54   54                                       
CONECT   53   52   55                                                 
CONECT   54   53   53                                                 
CONECT   55   53                                                      
CONECT   56   53   53                                                 
CONECT   57   58   52   52   79                                       
CONECT   58   41   41   57   80                                       
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   19                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   28                                                      
CONECT   70   31                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   40                                                      
CONECT   76   48                                                      
CONECT   77   49                                                      
CONECT   78   50                                                      
CONECT   79   57                                                      
CONECT   80   58                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
