COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.943   2.813   0.452  1.00  0.00           C  
HETATM    2  S   UNL     1       5.683   1.171   0.676  1.00  0.00           S  
HETATM    3  N   UNL     1       4.398   0.128   0.614  1.00  0.00           N  
HETATM    4  C   UNL     1       3.630  -0.016  -0.625  1.00  0.00           C  
HETATM    5  C   UNL     1       2.765  -1.275  -0.546  1.00  0.00           C  
HETATM    6  C   UNL     1       1.962  -1.425  -1.839  1.00  0.00           C  
HETATM    7  C   UNL     1       1.191  -2.748  -1.814  1.00  0.00           C  
HETATM    8  C   UNL     1       0.198  -2.731  -0.649  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.731  -1.606  -0.813  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.723  -1.638   0.152  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.725  -0.648   0.182  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.709  -0.716   1.173  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.638   0.327   1.084  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.434   1.198   0.087  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.285   2.368  -0.192  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.991   3.184  -1.224  1.00  0.00           N  
HETATM   17  O   UNL     1      -6.252   2.597   0.508  1.00  0.00           O  
HETATM   18  S   UNL     1      -3.012   0.752  -0.841  1.00  0.00           S  
HETATM   19  N   UNL     1      -3.644  -1.740   2.057  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.693  -2.636   1.987  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.750  -2.603   1.060  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.019  -0.322  -0.793  1.00  0.00           C  
HETATM   23  C   UNL     1       0.968  -0.266  -1.962  1.00  0.00           C  
HETATM   24  O   UNL     1       6.472   0.822  -0.453  1.00  0.00           O  
HETATM   25  O   UNL     1       6.188   1.028   1.996  1.00  0.00           O  
HETATM   26  H   UNL     1       4.227   3.001   1.252  1.00  0.00           H  
HETATM   27  H   UNL     1       5.726   3.571   0.479  1.00  0.00           H  
HETATM   28  H   UNL     1       4.432   2.853  -0.510  1.00  0.00           H  
HETATM   29  H   UNL     1       4.155  -0.389   1.398  1.00  0.00           H  
HETATM   30  H   UNL     1       2.990   0.857  -0.758  1.00  0.00           H  
HETATM   31  H   UNL     1       4.314  -0.097  -1.469  1.00  0.00           H  
HETATM   32  H   UNL     1       3.404  -2.147  -0.412  1.00  0.00           H  
HETATM   33  H   UNL     1       2.081  -1.193   0.299  1.00  0.00           H  
HETATM   34  H   UNL     1       2.641  -1.415  -2.692  1.00  0.00           H  
HETATM   35  H   UNL     1       0.651  -2.872  -2.752  1.00  0.00           H  
HETATM   36  H   UNL     1       1.891  -3.573  -1.684  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.362  -3.666  -0.637  1.00  0.00           H  
HETATM   38  H   UNL     1       0.741  -2.621   0.289  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.464   0.424   1.773  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.219   3.001  -1.782  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.551   3.954  -1.408  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.679  -3.435   2.712  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.737   0.493  -0.885  1.00  0.00           H  
HETATM   44  H   UNL     1       0.525  -0.223   0.146  1.00  0.00           H  
HETATM   45  H   UNL     1       1.507   0.680  -1.938  1.00  0.00           H  
HETATM   46  H   UNL     1       0.423  -0.352  -2.902  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2   25   25   24   24                                       
CONECT    2    3    1                                                 
CONECT    3    2    4   29                                            
CONECT    4    3    5   30   31                                       
CONECT    5    4    6   32   33                                       
CONECT    6    5    7   23   34                                       
CONECT    7    6    8   35   36                                       
CONECT    8    7    9   37   38                                       
CONECT    9    8   22   10                                            
CONECT   10    9   11   11   21                                       
CONECT   11   18   10   10   12                                       
CONECT   12   11   13   19   19                                       
CONECT   13   14   14   12   39                                       
CONECT   14   18   15   13   13                                       
CONECT   15   17   17   14   16                                       
CONECT   16   15   40   41                                            
CONECT   17   15   15                                                 
CONECT   18   11   14                                                 
CONECT   19   12   12   20                                            
CONECT   20   21   21   19   42                                       
CONECT   21   10   20   20                                            
CONECT   22   23    9   43   44                                       
CONECT   23    6   22   45   46                                       
CONECT   24    2    2                                                 
CONECT   25    2    2                                                 
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39   13                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
