COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.330   0.873  -2.141  1.00  0.00           O  
HETATM    2  S   UNL     1      -1.680   1.914  -1.424  1.00  0.00           S  
HETATM    3  O   UNL     1      -1.546   3.237  -1.924  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.513   2.049   0.123  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.779   0.913   0.866  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.356  -0.439   0.353  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.351  -1.044   1.300  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.832  -2.254   1.043  1.00  0.00           O  
HETATM    9  O   UNL     1      -1.013  -0.438   2.289  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.579  -1.353   0.256  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.173  -2.683  -0.381  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.378  -3.584  -0.476  1.00  0.00           C  
HETATM   13  O   UNL     1      -5.451  -3.200  -0.076  1.00  0.00           O  
HETATM   14  O   UNL     1      -4.258  -4.811  -1.006  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.432   1.019   2.079  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.821   2.260   2.550  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.555   3.395   1.806  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.896   3.290   0.596  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.047   1.342  -1.089  1.00  0.00           C  
HETATM   20  C   UNL     1       0.252  -0.003  -1.216  1.00  0.00           C  
HETATM   21  C   UNL     1       0.932   2.240  -0.704  1.00  0.00           C  
HETATM   22  C   UNL     1       2.213   1.798  -0.440  1.00  0.00           C  
HETATM   23  C   UNL     1       2.518   0.443  -0.562  1.00  0.00           C  
HETATM   24  C   UNL     1       1.529  -0.456  -0.954  1.00  0.00           C  
HETATM   25  C   UNL     1       3.893  -0.038  -0.280  1.00  0.00           C  
HETATM   26  C   UNL     1       4.197  -1.393  -0.402  1.00  0.00           C  
HETATM   27  C   UNL     1       5.476  -1.837  -0.139  1.00  0.00           C  
HETATM   28  C   UNL     1       6.459  -0.937   0.247  1.00  0.00           C  
HETATM   29  O   UNL     1       7.718  -1.378   0.505  1.00  0.00           O  
HETATM   30  C   UNL     1       8.681  -0.398   0.897  1.00  0.00           C  
HETATM   31  C   UNL     1       6.160   0.413   0.369  1.00  0.00           C  
HETATM   32  C   UNL     1       4.884   0.864   0.101  1.00  0.00           C  
HETATM   33  H   UNL     1      -1.906  -0.329  -0.633  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.191  -2.601   1.679  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.977  -1.535   1.255  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.343  -0.875  -0.358  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.775  -2.502  -1.379  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.410  -3.162   0.233  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.059  -5.352  -1.046  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.640   0.132   2.660  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.336   2.342   3.495  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.858   4.364   2.174  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.688   4.176   0.015  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.516  -0.699  -1.521  1.00  0.00           H  
HETATM   45  H   UNL     1       0.695   3.289  -0.611  1.00  0.00           H  
HETATM   46  H   UNL     1       2.977   2.500  -0.141  1.00  0.00           H  
HETATM   47  H   UNL     1       1.761  -1.506  -1.054  1.00  0.00           H  
HETATM   48  H   UNL     1       3.432  -2.094  -0.701  1.00  0.00           H  
HETATM   49  H   UNL     1       5.712  -2.887  -0.233  1.00  0.00           H  
HETATM   50  H   UNL     1       9.642  -0.882   1.072  1.00  0.00           H  
HETATM   51  H   UNL     1       8.788   0.344   0.106  1.00  0.00           H  
HETATM   52  H   UNL     1       8.349   0.092   1.812  1.00  0.00           H  
HETATM   53  H   UNL     1       6.927   1.111   0.669  1.00  0.00           H  
HETATM   54  H   UNL     1       4.653   1.915   0.192  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    2    3   19                                                 
CONECT    3    2    2                                                 
CONECT    4   18   18    5    2                                       
CONECT    5   15   15    4    6                                       
CONECT    6    5   10    7   33                                       
CONECT    7    9    9    6    8                                       
CONECT    8    7   34                                                 
CONECT    9    7    7                                                 
CONECT   10   11    6   35   36                                       
CONECT   11   12   10   37   38                                       
CONECT   12   13   13   14   11                                       
CONECT   13   12   12                                                 
CONECT   14   12   39                                                 
CONECT   15   16    5    5   40                                       
CONECT   16   17   17   15   41                                       
CONECT   17   16   16   18   42                                       
CONECT   18   17    4    4   43                                       
CONECT   19    2   21   21   20                                       
CONECT   20   19   24   24   44                                       
CONECT   21   19   19   22   45                                       
CONECT   22   21   23   23   46                                       
CONECT   23   22   22   24   25                                       
CONECT   24   20   20   23   47                                       
CONECT   25   23   32   32   26                                       
CONECT   26   25   27   27   48                                       
CONECT   27   26   26   28   49                                       
CONECT   28   31   31   27   29                                       
CONECT   29   28   30                                                 
CONECT   30   29   50   51   52                                       
CONECT   31   32   28   28   53                                       
CONECT   32   25   25   31   54                                       
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
CONECT   53   31                                                      
CONECT   54   32                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
