COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.249   1.676  -0.081  1.00  0.00           N  
HETATM    2  C   UNL     1       3.654  -1.092   1.052  1.00  0.00           C  
HETATM    3  O   UNL     1       4.241  -0.030   1.664  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.869  -1.632  -0.444  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.056  -2.741  -0.596  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.686  -2.635  -0.428  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.122  -1.406  -0.104  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.949  -0.278   0.052  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.324  -0.402  -0.121  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.661  -1.272   0.078  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.060   0.077   0.117  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.892   1.207   0.276  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.348   1.029   0.398  1.00  0.00           C  
HETATM   14  C   UNL     1       0.314   0.240  -0.001  1.00  0.00           C  
HETATM   15  C   UNL     1       0.869   1.517   0.038  1.00  0.00           C  
HETATM   16  C   UNL     1       0.054   2.634   0.194  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.327   2.484   0.315  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.049   1.947   0.778  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.962  -2.260   0.194  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.119   3.575   0.467  1.00  0.00           O  
HETATM   21  O   UNL     1       0.607   3.875   0.231  1.00  0.00           O  
HETATM   22  S   UNL     1       3.128   0.624  -1.011  1.00  0.00           S  
HETATM   23  O   UNL     1       2.410   0.469  -2.227  1.00  0.00           O  
HETATM   24  O   UNL     1       4.476   1.069  -0.955  1.00  0.00           O  
HETATM   25  C   UNL     1       3.087  -0.942  -0.206  1.00  0.00           C  
HETATM   26  C   UNL     1       2.491  -2.023  -0.826  1.00  0.00           C  
HETATM   27  C   UNL     1       2.459  -3.253  -0.195  1.00  0.00           C  
HETATM   28  C   UNL     1       3.023  -3.404   1.058  1.00  0.00           C  
HETATM   29  C   UNL     1       3.625  -2.328   1.681  1.00  0.00           C  
HETATM   30  H   UNL     1       2.694   2.406   0.378  1.00  0.00           H  
HETATM   31  H   UNL     1       3.659   0.444   2.274  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.936  -1.727  -0.583  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.493  -3.696  -0.848  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.057  -3.505  -0.548  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.964   0.460  -0.004  1.00  0.00           H  
HETATM   36  H   UNL     1       0.952  -0.623  -0.122  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.267   3.828   1.389  1.00  0.00           H  
HETATM   38  H   UNL     1       0.684   4.297  -0.636  1.00  0.00           H  
HETATM   39  H   UNL     1       2.049  -1.907  -1.805  1.00  0.00           H  
HETATM   40  H   UNL     1       1.992  -4.096  -0.681  1.00  0.00           H  
HETATM   41  H   UNL     1       3.000  -4.367   1.548  1.00  0.00           H  
HETATM   42  H   UNL     1       4.066  -2.447   2.659  1.00  0.00           H  
CONECT    1   15   22   30                                            
CONECT    2   29    3   25   25                                       
CONECT    3    2   31                                                 
CONECT    4    9    9    5   32                                       
CONECT    5    4    6    6   33                                       
CONECT    6    5    5    7   34                                       
CONECT    7    8    8    6   10                                       
CONECT    8    9   13    7    7                                       
CONECT    9    4    4    8   35                                       
CONECT   10    7   19   19   11                                       
CONECT   11   12   10   14   14                                       
CONECT   12   13   17   17   11                                       
CONECT   13   18   18    8   12                                       
CONECT   14   11   11   15   36                                       
CONECT   15   16   16   14    1                                       
CONECT   16   17   21   15   15                                       
CONECT   17   20   12   12   16                                       
CONECT   18   13   13                                                 
CONECT   19   10   10                                                 
CONECT   20   17   37                                                 
CONECT   21   16   38                                                 
CONECT   22   25    1   23   23                                       
CONECT   22   24   24                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25    2    2   26   22                                       
CONECT   26   27   27   25   39                                       
CONECT   27   28   26   26   40                                       
CONECT   28   29   29   27   41                                       
CONECT   29   28   28    2   42                                       
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    9                                                      
CONECT   36   14                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   26                                                      
CONECT   40   27                                                      
CONECT   41   28                                                      
CONECT   42   29                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
