COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.972  -0.677   1.163  1.00  0.00           C  
HETATM    2  C   UNL     1       4.863  -1.061   1.120  1.00  0.00           C  
HETATM    3  C   UNL     1       6.046  -0.559   1.631  1.00  0.00           C  
HETATM    4  C   UNL     1       6.726   0.434   0.953  1.00  0.00           C  
HETATM    5  C   UNL     1       6.220   0.928  -0.242  1.00  0.00           C  
HETATM    6  C   UNL     1       5.032   0.422  -0.752  1.00  0.00           C  
HETATM    7  C   UNL     1       4.357  -0.571  -0.070  1.00  0.00           C  
HETATM    8  C   UNL     1       1.148   0.894  -0.812  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.094   2.604   0.280  1.00  0.00           O  
HETATM   10  S   UNL     1      -2.242   1.304   0.833  1.00  0.00           S  
HETATM   11  O   UNL     1      -2.267   1.052   2.231  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.746   0.655   0.183  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.249   1.141  -1.010  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.428   0.636  -1.523  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.109  -0.361  -0.843  1.00  0.00           C  
HETATM   16  O   UNL     1      -7.269  -0.860  -1.348  1.00  0.00           O  
HETATM   17  C   UNL     1      -5.603  -0.850   0.357  1.00  0.00           C  
HETATM   18  O   UNL     1      -6.268  -1.829   1.028  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.418  -0.343   0.864  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.007   0.389   0.215  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.537  -0.809   0.924  1.00  0.00           C  
HETATM   22  N   UNL     1       1.618  -0.305  -0.103  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.361   0.762  -1.051  1.00  0.00           C  
HETATM   24  S   UNL     1       2.853  -1.219  -0.720  1.00  0.00           S  
HETATM   25  O   UNL     1       2.878  -0.967  -2.119  1.00  0.00           O  
HETATM   26  O   UNL     1       2.704  -2.520  -0.168  1.00  0.00           O  
HETATM   27  N   UNL     1       6.906   1.933  -0.929  1.00  0.00           N  
HETATM   28  H   UNL     1       1.158   0.095   1.910  1.00  0.00           H  
HETATM   29  H   UNL     1       1.371  -1.629   1.515  1.00  0.00           H  
HETATM   30  H   UNL     1       4.335  -1.841   1.649  1.00  0.00           H  
HETATM   31  H   UNL     1       6.438  -0.944   2.560  1.00  0.00           H  
HETATM   32  H   UNL     1       7.649   0.826   1.353  1.00  0.00           H  
HETATM   33  H   UNL     1       4.636   0.805  -1.681  1.00  0.00           H  
HETATM   34  H   UNL     1       1.346   1.778  -0.206  1.00  0.00           H  
HETATM   35  H   UNL     1       1.666   0.981  -1.766  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.719   1.918  -1.541  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.819   1.018  -2.455  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.148  -1.618  -1.936  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.004  -2.725   0.780  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.021  -0.724   1.794  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.735  -1.694   0.318  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.053  -0.895   1.880  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.761   1.714  -1.399  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.547  -0.010  -1.798  1.00  0.00           H  
HETATM   45  H   UNL     1       7.735   2.286  -0.572  1.00  0.00           H  
HETATM   46  H   UNL     1       6.552   2.278  -1.764  1.00  0.00           H  
CONECT    1   22   21   28   29                                       
CONECT    2    3    3    7   30                                       
CONECT    3    4    2    2   31                                       
CONECT    4    5    5    3   32                                       
CONECT    5    6   27    4    4                                       
CONECT    6    7    7    5   33                                       
CONECT    7   24    6    6    2                                       
CONECT    8   23   22   34   35                                       
CONECT    9   10   10                                                 
CONECT   10   11   11   20   12                                       
CONECT   10    9    9                                                 
CONECT   11   10   10                                                 
CONECT   12   10   19   19   13                                       
CONECT   13   14   14   12   36                                       
CONECT   14   15   13   13   37                                       
CONECT   15   17   17   16   14                                       
CONECT   16   15   38                                                 
CONECT   17   19   18   15   15                                       
CONECT   18   17   39                                                 
CONECT   19   12   12   17   40                                       
CONECT   20   10   23   21                                            
CONECT   21    1   20   41   42                                       
CONECT   22    8   24    1                                            
CONECT   23   20    8   43   44                                       
CONECT   24   22   25   25    7                                       
CONECT   24   26   26                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27    5   45   46                                            
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
