COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.925   2.910   1.026  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.001   1.944   0.569  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.951   0.462   0.002  1.00  0.00           C  
HETATM    4  O   UNL     1       0.516   3.902   1.845  1.00  0.00           O  
HETATM    5  O   UNL     1       2.092   2.843   0.687  1.00  0.00           O  
HETATM    6  O   UNL     1       1.333   1.674  -2.785  1.00  0.00           O  
HETATM    7  C   UNL     1       1.530  -2.235  -0.427  1.00  0.00           C  
HETATM    8  C   UNL     1       0.964  -3.486   0.248  1.00  0.00           C  
HETATM    9  C   UNL     1       2.072  -4.186   1.037  1.00  0.00           C  
HETATM   10  C   UNL     1       2.618  -3.234   2.104  1.00  0.00           C  
HETATM   11  C   UNL     1       3.184  -1.983   1.429  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.240  -0.238  -0.173  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.389   0.238   0.462  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.589  -0.421   0.295  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.657  -1.552  -0.499  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.522  -2.029  -1.131  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.317  -1.376  -0.978  1.00  0.00           C  
HETATM   18  S   UNL     1      -1.710   1.905   0.977  1.00  0.00           S  
HETATM   19  C   UNL     1      -0.774   0.089  -0.573  1.00  0.00           C  
HETATM   20  C   UNL     1       0.298   0.895  -0.269  1.00  0.00           C  
HETATM   21  N   UNL     1       1.581   0.667  -0.768  1.00  0.00           N  
HETATM   22  C   UNL     1       2.005   1.065  -1.980  1.00  0.00           C  
HETATM   23  C   UNL     1       3.441   0.642  -2.193  1.00  0.00           C  
HETATM   24  C   UNL     1       3.688  -0.428  -1.104  1.00  0.00           C  
HETATM   25  C   UNL     1       2.643  -0.032  -0.035  1.00  0.00           C  
HETATM   26  C   UNL     1       2.076  -1.283   0.640  1.00  0.00           C  
HETATM   27  H   UNL     1       1.219   4.513   2.104  1.00  0.00           H  
HETATM   28  H   UNL     1       2.335  -2.521  -1.105  1.00  0.00           H  
HETATM   29  H   UNL     1       0.741  -1.737  -0.989  1.00  0.00           H  
HETATM   30  H   UNL     1       0.160  -3.201   0.926  1.00  0.00           H  
HETATM   31  H   UNL     1       0.575  -4.164  -0.512  1.00  0.00           H  
HETATM   32  H   UNL     1       1.669  -5.077   1.518  1.00  0.00           H  
HETATM   33  H   UNL     1       2.876  -4.471   0.359  1.00  0.00           H  
HETATM   34  H   UNL     1       1.814  -2.949   2.782  1.00  0.00           H  
HETATM   35  H   UNL     1       3.407  -3.733   2.666  1.00  0.00           H  
HETATM   36  H   UNL     1       3.573  -1.305   2.189  1.00  0.00           H  
HETATM   37  H   UNL     1       3.989  -2.269   0.751  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.337   1.120   1.083  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.478  -0.054   0.786  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.599  -2.064  -0.626  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.582  -2.913  -1.750  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.433  -1.747  -1.475  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.689  -0.775  -1.216  1.00  0.00           H  
HETATM   44  H   UNL     1       3.569   0.212  -3.187  1.00  0.00           H  
HETATM   45  H   UNL     1       4.113   1.490  -2.057  1.00  0.00           H  
HETATM   46  H   UNL     1       3.496  -1.429  -1.491  1.00  0.00           H  
HETATM   47  H   UNL     1       4.699  -0.352  -0.705  1.00  0.00           H  
HETATM   48  H   UNL     1       3.094   0.625   0.708  1.00  0.00           H  
HETATM   49  H   UNL     1       1.272  -0.998   1.318  1.00  0.00           H  
CONECT    1    5    5    2    4                                       
CONECT    2   20   20    1   18                                       
CONECT    3   19   19   18   12                                       
CONECT    4    1   27                                                 
CONECT    5    1    1                                                 
CONECT    6   22   22                                                 
CONECT    7    8   26   28   29                                       
CONECT    8    9    7   30   31                                       
CONECT    9    8   10   32   33                                       
CONECT   10    9   11   34   35                                       
CONECT   11   10   26   36   37                                       
CONECT   12    3   17   17   13                                       
CONECT   13   12   14   14   38                                       
CONECT   14   13   13   15   39                                       
CONECT   15   16   16   14   40                                       
CONECT   16   17   15   15   41                                       
CONECT   17   12   12   16   42                                       
CONECT   18    2    3                                                 
CONECT   19   20    3    3   43                                       
CONECT   20   21    2    2   19                                       
CONECT   21   25   22   20                                            
CONECT   22   23    6    6   21                                       
CONECT   23   24   22   44   45                                       
CONECT   24   23   25   46   47                                       
CONECT   25   24   26   21   48                                       
CONECT   26    7   25   11   49                                       
CONECT   27    4                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
