COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.274   0.872   0.552  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.422   0.866   1.947  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.792   1.922  -0.235  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.463   2.986   0.365  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.710   4.202   0.031  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.764   3.097  -0.306  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.624   1.889  -1.604  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.956   0.832  -2.213  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.452  -0.198  -1.478  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.602  -0.203  -0.081  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.091  -1.252   0.702  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.257  -1.227   2.053  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.919  -0.170   2.674  1.00  0.00           C  
HETATM   14  S   UNL     1      -2.250  -2.600  -0.061  1.00  0.00           S  
HETATM   15  N   UNL     1      -0.876  -1.994  -0.760  1.00  0.00           N  
HETATM   16  C   UNL     1       0.175  -1.410   0.077  1.00  0.00           C  
HETATM   17  C   UNL     1       1.469  -1.303  -0.731  1.00  0.00           C  
HETATM   18  C   UNL     1       2.567  -0.693   0.144  1.00  0.00           C  
HETATM   19  C   UNL     1       3.862  -0.586  -0.664  1.00  0.00           C  
HETATM   20  N   UNL     1       4.913  -0.002   0.173  1.00  0.00           N  
HETATM   21  C   UNL     1       6.148   0.190  -0.332  1.00  0.00           C  
HETATM   22  O   UNL     1       6.389  -0.122  -1.479  1.00  0.00           O  
HETATM   23  C   UNL     1       7.229   0.790   0.529  1.00  0.00           C  
HETATM   24  C   UNL     1       8.524   0.898  -0.279  1.00  0.00           C  
HETATM   25  S   UNL     1       9.825   1.621   0.757  1.00  0.00           S  
HETATM   26  O   UNL     1      -1.809  -3.432   1.003  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.081  -3.012  -1.138  1.00  0.00           O  
HETATM   28  H   UNL     1      -4.933   1.679   2.442  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.198   5.067   0.481  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.693   4.117   0.416  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.679   4.325  -1.052  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.363   2.213  -0.088  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.284   3.986   0.053  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.612   3.176  -1.383  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.016   2.693  -2.209  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.836   0.827  -3.286  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.937  -1.011  -1.969  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.867  -2.036   2.652  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.034  -0.171   3.748  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.767  -2.027  -1.723  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.132  -0.417   0.406  1.00  0.00           H  
HETATM   42  H   UNL     1       0.341  -2.045   0.948  1.00  0.00           H  
HETATM   43  H   UNL     1       1.776  -2.296  -1.059  1.00  0.00           H  
HETATM   44  H   UNL     1       1.303  -0.668  -1.601  1.00  0.00           H  
HETATM   45  H   UNL     1       2.260   0.300   0.472  1.00  0.00           H  
HETATM   46  H   UNL     1       2.733  -1.328   1.014  1.00  0.00           H  
HETATM   47  H   UNL     1       4.169  -1.579  -0.993  1.00  0.00           H  
HETATM   48  H   UNL     1       3.695   0.049  -1.535  1.00  0.00           H  
HETATM   49  H   UNL     1       4.720   0.248   1.090  1.00  0.00           H  
HETATM   50  H   UNL     1       6.922   1.783   0.857  1.00  0.00           H  
HETATM   51  H   UNL     1       7.395   0.155   1.399  1.00  0.00           H  
HETATM   52  H   UNL     1       8.831  -0.095  -0.607  1.00  0.00           H  
HETATM   53  H   UNL     1       8.357   1.533  -1.149  1.00  0.00           H  
HETATM   54  H   UNL     1      10.846   1.626  -0.119  1.00  0.00           H  
CONECT    1    2    3    3   10                                       
CONECT    2    1   13   13   28                                       
CONECT    3    1    1    4    7                                       
CONECT    4    3    5    6                                            
CONECT    5    4   29   30   31                                       
CONECT    6    4   32   33   34                                       
CONECT    7    3    8    8   35                                       
CONECT    8    7    7    9   36                                       
CONECT    9    8   10   10   37                                       
CONECT   10    1    9    9   11                                       
CONECT   11   10   12   12   14                                       
CONECT   12   11   11   13   38                                       
CONECT   13    2    2   12   39                                       
CONECT   14   11   15   26   26                                       
CONECT   14   27   27                                                 
CONECT   15   14   16   40                                            
CONECT   16   15   17   41   42                                       
CONECT   17   16   18   43   44                                       
CONECT   18   17   19   45   46                                       
CONECT   19   18   20   47   48                                       
CONECT   20   19   21   49                                            
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   50   51                                       
CONECT   24   23   25   52   53                                       
CONECT   25   24   54                                                 
CONECT   26   14   14                                                 
CONECT   27   14   14                                                 
CONECT   28    2                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
