COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.601   2.073  -0.078  1.00  0.00           C  
HETATM    2  C   UNL     1       4.932  -3.272  -0.362  1.00  0.00           C  
HETATM    3  S   UNL     1       0.355   1.512  -0.703  1.00  0.00           S  
HETATM    4  C   UNL     1      -8.037  -0.328   0.778  1.00  0.00           C  
HETATM    5  C   UNL     1       2.708   1.043   0.611  1.00  0.00           C  
HETATM    6  C   UNL     1       4.030   1.366   0.373  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.938   0.444   0.872  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.807  -0.783  -0.936  1.00  0.00           C  
HETATM    9  C   UNL     1       3.205  -1.280   0.234  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.743  -0.074   0.104  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.388   0.551  -0.232  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.859   0.754  -0.536  1.00  0.00           C  
HETATM   13  N   UNL     1      -7.931  -1.067  -0.336  1.00  0.00           N  
HETATM   14  N   UNL     1      -1.319  -0.242   0.381  1.00  0.00           N  
HETATM   15  N   UNL     1       0.952  -0.607   0.783  1.00  0.00           N  
HETATM   16  O   UNL     1       6.246   0.691  -0.167  1.00  0.00           O  
HETATM   17  O   UNL     1       5.427  -1.933  -0.307  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.032   0.123   0.219  1.00  0.00           C  
HETATM   19  C   UNL     1       2.292  -0.280   0.541  1.00  0.00           C  
HETATM   20  C   UNL     1       4.944   0.371   0.066  1.00  0.00           C  
HETATM   21  C   UNL     1       4.531  -0.956  -0.004  1.00  0.00           C  
HETATM   22  N   UNL     1      -6.157   0.156  -0.215  1.00  0.00           N  
HETATM   23  H   UNL     1       7.664   2.189  -0.285  1.00  0.00           H  
HETATM   24  H   UNL     1       6.024   2.644  -0.805  1.00  0.00           H  
HETATM   25  H   UNL     1       6.384   2.439   0.926  1.00  0.00           H  
HETATM   26  H   UNL     1       5.747  -3.951  -0.612  1.00  0.00           H  
HETATM   27  H   UNL     1       4.516  -3.546   0.608  1.00  0.00           H  
HETATM   28  H   UNL     1       4.155  -3.342  -1.123  1.00  0.00           H  
HETATM   29  H   UNL     1      -8.858  -0.351   1.479  1.00  0.00           H  
HETATM   30  H   UNL     1       1.998   1.819   0.855  1.00  0.00           H  
HETATM   31  H   UNL     1       4.352   2.396   0.428  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.715   1.154   1.655  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.455  -1.225  -1.856  1.00  0.00           H  
HETATM   34  H   UNL     1       2.882  -2.309   0.180  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.779  -1.092  -0.282  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.878  -0.091   1.186  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.253   0.568  -1.313  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.351   1.570   0.155  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.823   1.773  -0.150  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.725   0.771  -1.617  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.538  -1.029   0.904  1.00  0.00           H  
HETATM   42  H   UNL     1       0.731  -1.358   1.356  1.00  0.00           H  
CONECT    1   16   23   24   25                                       
CONECT    2   17   26   27   28                                       
CONECT    3   18   18                                                 
CONECT    4    7    7   13   29                                       
CONECT    5    6    6   19   30                                       
CONECT    6    5    5   20   31                                       
CONECT    7    4    4   22   32                                       
CONECT    8   13   13   22   33                                       
CONECT    9   19   19   21   34                                       
CONECT   10   11   12   35   36                                       
CONECT   11   10   14   37   38                                       
CONECT   12   10   22   39   40                                       
CONECT   13    4    8    8                                            
CONECT   14   11   18   41                                            
CONECT   15   18   19   42                                            
CONECT   16    1   20                                                 
CONECT   17    2   21                                                 
CONECT   18    3    3   14   15                                       
CONECT   19    5    9    9   15                                       
CONECT   20    6   16   21   21                                       
CONECT   21    9   17   20   20                                       
CONECT   22    7    8   12                                            
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
