COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.393   3.324   0.774  1.00  0.00           C  
HETATM    2  S   UNL     1       6.077   3.447  -0.469  1.00  0.00           S  
HETATM    3  O   UNL     1       5.181   4.501  -0.143  1.00  0.00           O  
HETATM    4  O   UNL     1       6.615   3.321  -1.778  1.00  0.00           O  
HETATM    5  N   UNL     1       5.181   2.070  -0.261  1.00  0.00           N  
HETATM    6  C   UNL     1       4.446   1.857   0.988  1.00  0.00           C  
HETATM    7  C   UNL     1       3.426   0.733   0.794  1.00  0.00           C  
HETATM    8  O   UNL     1       4.112  -0.495   0.544  1.00  0.00           O  
HETATM    9  C   UNL     1       3.345  -1.602   0.348  1.00  0.00           C  
HETATM   10  C   UNL     1       1.967  -1.505   0.394  1.00  0.00           C  
HETATM   11  C   UNL     1       3.949  -2.831   0.094  1.00  0.00           C  
HETATM   12  O   UNL     1       5.305  -2.924   0.044  1.00  0.00           O  
HETATM   13  C   UNL     1       5.858  -4.215  -0.221  1.00  0.00           C  
HETATM   14  C   UNL     1       3.171  -3.961  -0.107  1.00  0.00           C  
HETATM   15  C   UNL     1       1.795  -3.872  -0.057  1.00  0.00           C  
HETATM   16  C   UNL     1       1.184  -2.642   0.191  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.290  -2.545   0.240  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.969  -1.455   0.462  1.00  0.00           N  
HETATM   19  S   UNL     1      -1.412  -3.881  -0.002  1.00  0.00           S  
HETATM   20  C   UNL     1      -2.768  -2.781   0.241  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.227  -3.154   0.196  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.749  -3.001  -1.234  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.231  -3.380  -1.279  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.278  -1.558   0.468  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.173  -0.371   0.714  1.00  0.00           C  
HETATM   26  S   UNL     1      -3.566   0.426  -0.864  1.00  0.00           S  
HETATM   27  C   UNL     1      -4.592   1.740  -0.296  1.00  0.00           C  
HETATM   28  N   UNL     1      -5.104   2.587  -1.177  1.00  0.00           N  
HETATM   29  N   UNL     1      -4.837   1.854   1.002  1.00  0.00           N  
HETATM   30  C   UNL     1      -5.607   2.834   1.467  1.00  0.00           C  
HETATM   31  N   UNL     1      -5.857   2.946   2.826  1.00  0.00           N  
HETATM   32  C   UNL     1      -6.158   3.746   0.571  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.883   3.592  -0.785  1.00  0.00           C  
HETATM   34  N   UNL     1      -6.414   4.473  -1.713  1.00  0.00           N  
HETATM   35  H   UNL     1       6.950   3.273   1.768  1.00  0.00           H  
HETATM   36  H   UNL     1       7.981   2.424   0.592  1.00  0.00           H  
HETATM   37  H   UNL     1       8.039   4.199   0.708  1.00  0.00           H  
HETATM   38  H   UNL     1       5.144   1.405  -0.965  1.00  0.00           H  
HETATM   39  H   UNL     1       5.144   1.581   1.779  1.00  0.00           H  
HETATM   40  H   UNL     1       3.927   2.774   1.266  1.00  0.00           H  
HETATM   41  H   UNL     1       2.818   0.634   1.693  1.00  0.00           H  
HETATM   42  H   UNL     1       2.783   0.969  -0.055  1.00  0.00           H  
HETATM   43  H   UNL     1       1.498  -0.552   0.587  1.00  0.00           H  
HETATM   44  H   UNL     1       5.545  -4.910   0.558  1.00  0.00           H  
HETATM   45  H   UNL     1       5.504  -4.570  -1.188  1.00  0.00           H  
HETATM   46  H   UNL     1       6.945  -4.149  -0.233  1.00  0.00           H  
HETATM   47  H   UNL     1       3.642  -4.912  -0.304  1.00  0.00           H  
HETATM   48  H   UNL     1       1.191  -4.753  -0.215  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.348  -4.188   0.518  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.790  -2.499   0.861  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.628  -1.967  -1.556  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.186  -3.657  -1.898  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.351  -4.414  -0.957  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.794  -2.724  -0.615  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.602  -3.271  -2.298  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.095  -0.703   1.192  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.663   0.341   1.363  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.470   2.307   3.445  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.420   3.663   3.158  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.787   4.552   0.919  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.219   4.359  -2.657  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.982   5.203  -1.420  1.00  0.00           H  
CONECT    1    2   35   36   37                                       
CONECT    2    1    3    3    4                                       
CONECT    2    4    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2    2                                                 
CONECT    5    2    6   38                                            
CONECT    6    5    7   39   40                                       
CONECT    7    6    8   41   42                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   10   11                                       
CONECT   10    9    9   16   43                                       
CONECT   11    9   12   14   14                                       
CONECT   12   11   13                                                 
CONECT   13   12   44   45   46                                       
CONECT   14   11   11   15   47                                       
CONECT   15   14   16   16   48                                       
CONECT   16   10   15   15   17                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17   24                                            
CONECT   19   17   20                                                 
CONECT   20   19   21   24   24                                       
CONECT   21   20   22   49   50                                       
CONECT   22   21   23   51   52                                       
CONECT   23   22   53   54   55                                       
CONECT   24   18   20   20   25                                       
CONECT   25   24   26   56   57                                       
CONECT   26   25   27                                                 
CONECT   27   26   28   28   29                                       
CONECT   28   27   27   33                                            
CONECT   29   27   30   30                                            
CONECT   30   29   29   31   32                                       
CONECT   31   30   58   59                                            
CONECT   32   30   33   33   60                                       
CONECT   33   28   32   32   34                                       
CONECT   34   33   61   62                                            
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43   10                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   34                                                      
CONECT   62   34                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
