COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.956  -1.287  -0.244  1.00  0.00           C  
HETATM    2  C   UNL     1       3.745  -1.910  -0.936  1.00  0.00           C  
HETATM    3  C   UNL     1       2.555  -0.988  -0.856  1.00  0.00           C  
HETATM    4  C   UNL     1       2.483   0.047   0.042  1.00  0.00           C  
HETATM    5  C   UNL     1       3.590   0.357   1.016  1.00  0.00           C  
HETATM    6  C   UNL     1       4.531  -0.837   1.159  1.00  0.00           C  
HETATM    7  C   UNL     1       1.501  -1.218  -1.738  1.00  0.00           C  
HETATM    8  C   UNL     1       0.378  -0.423  -1.724  1.00  0.00           C  
HETATM    9  C   UNL     1       0.282   0.623  -0.814  1.00  0.00           C  
HETATM   10  C   UNL     1       1.342   0.865   0.069  1.00  0.00           C  
HETATM   11  C   UNL     1       1.257   1.976   1.032  1.00  0.00           C  
HETATM   12  O   UNL     1       0.725   1.771   2.253  1.00  0.00           O  
HETATM   13  O   UNL     1       1.668   3.078   0.726  1.00  0.00           O  
HETATM   14  N   UNL     1      -0.848   1.429  -0.790  1.00  0.00           N  
HETATM   15  S   UNL     1      -2.339   0.774  -1.091  1.00  0.00           S  
HETATM   16  C   UNL     1      -2.623  -0.472   0.122  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.277   1.804  -0.814  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.215   0.085  -2.329  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.235  -1.776  -0.122  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.454  -2.752   0.833  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.068  -2.425   2.027  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.460  -1.122   2.269  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.238  -0.145   1.317  1.00  0.00           C  
HETATM   24  H   UNL     1       5.304  -0.427  -0.816  1.00  0.00           H  
HETATM   25  H   UNL     1       5.754  -2.025  -0.167  1.00  0.00           H  
HETATM   26  H   UNL     1       3.986  -2.096  -1.982  1.00  0.00           H  
HETATM   27  H   UNL     1       3.500  -2.855  -0.451  1.00  0.00           H  
HETATM   28  H   UNL     1       4.153   1.218   0.656  1.00  0.00           H  
HETATM   29  H   UNL     1       3.157   0.592   1.988  1.00  0.00           H  
HETATM   30  H   UNL     1       5.411  -0.544   1.733  1.00  0.00           H  
HETATM   31  H   UNL     1       4.016  -1.652   1.666  1.00  0.00           H  
HETATM   32  H   UNL     1       1.567  -2.033  -2.444  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.430  -0.616  -2.414  1.00  0.00           H  
HETATM   34  H   UNL     1       0.669   2.500   2.886  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.765   2.376  -0.595  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.756  -2.031  -1.055  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.147  -3.770   0.644  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.241  -3.189   2.772  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.940  -0.867   3.203  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.544   0.873   1.506  1.00  0.00           H  
CONECT    1    2    6   24   25                                       
CONECT    2    1    3   26   27                                       
CONECT    3    2    4    7    7                                       
CONECT    4    3    5   10   10                                       
CONECT    5    4    6   28   29                                       
CONECT    6    1    5   30   31                                       
CONECT    7    3    3    8   32                                       
CONECT    8    7    9    9   33                                       
CONECT    9    8    8   10   14                                       
CONECT   10    4    4    9   11                                       
CONECT   11   10   12   13   13                                       
CONECT   12   11   34                                                 
CONECT   13   11   11                                                 
CONECT   14    9   15   35                                            
CONECT   15   14   16   17   17                                       
CONECT   15   18   18                                                 
CONECT   16   15   19   23   23                                       
CONECT   17   15   15                                                 
CONECT   18   15   15                                                 
CONECT   19   16   20   20   36                                       
CONECT   20   19   19   21   37                                       
CONECT   21   20   22   22   38                                       
CONECT   22   21   21   23   39                                       
CONECT   23   16   16   22   40                                       
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   23                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
