COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.357  -0.407  -2.549  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.915  -0.256   0.843  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.332  -1.575   0.778  1.00  0.00           C  
HETATM    4  O   UNL     1       4.077  -2.275  -0.912  1.00  0.00           O  
HETATM    5  C   UNL     1       1.202   1.708  -0.595  1.00  0.00           C  
HETATM    6  C   UNL     1       5.984  -0.956   0.838  1.00  0.00           C  
HETATM    7  C   UNL     1       2.330   1.093  -1.104  1.00  0.00           C  
HETATM    8  C   UNL     1       7.074  -0.488   1.557  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.098  -1.859  -1.265  1.00  0.00           C  
HETATM   10  C   UNL     1       7.753   0.643   1.126  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.960   1.316   0.240  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.723   1.795   1.003  1.00  0.00           C  
HETATM   13  O   UNL     1      -5.533   2.622   0.732  1.00  0.00           O  
HETATM   14  C   UNL     1       0.504   1.121   0.444  1.00  0.00           C  
HETATM   15  O   UNL     1       7.476  -1.135   2.683  1.00  0.00           O  
HETATM   16  C   UNL     1      -5.097   0.260  -0.146  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.690  -0.539  -1.197  1.00  0.00           C  
HETATM   18  C   UNL     1       0.930  -0.084   0.969  1.00  0.00           C  
HETATM   19  C   UNL     1       7.343   1.299  -0.018  1.00  0.00           C  
HETATM   20  C   UNL     1       6.256   0.831  -0.733  1.00  0.00           C  
HETATM   21  C   UNL     1       5.578  -0.296  -0.306  1.00  0.00           C  
HETATM   22  C   UNL     1       2.760  -0.109  -0.575  1.00  0.00           C  
HETATM   23  C   UNL     1       2.056  -0.702   0.456  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.255   2.326  -1.395  1.00  0.00           O  
HETATM   25  S   UNL     1      -4.574   1.941  -0.065  1.00  0.00           S  
HETATM   26  O   UNL     1      -7.136  -2.084   1.749  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.926  -2.379  -0.284  1.00  0.00           C  
HETATM   28  O   UNL     1      -6.328  -3.676  -0.349  1.00  0.00           O  
HETATM   29  N   UNL     1      -3.152   1.971   0.784  1.00  0.00           N  
HETATM   30  S   UNL     1       4.198  -0.894  -1.224  1.00  0.00           S  
HETATM   31  H   UNL     1      -6.232   0.371   1.663  1.00  0.00           H  
HETATM   32  H   UNL     1       0.868   2.650  -1.006  1.00  0.00           H  
HETATM   33  H   UNL     1       5.457  -1.839   1.169  1.00  0.00           H  
HETATM   34  H   UNL     1       2.875   1.552  -1.916  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.778  -2.481  -2.088  1.00  0.00           H  
HETATM   36  H   UNL     1       8.601   1.010   1.685  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.856   1.568  -0.815  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.058   0.236   0.348  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.625   2.875   0.895  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.827   1.543   2.058  1.00  0.00           H  
HETATM   41  H   UNL     1       8.129  -1.830   2.525  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.044  -0.135  -1.963  1.00  0.00           H  
HETATM   43  H   UNL     1       0.385  -0.543   1.781  1.00  0.00           H  
HETATM   44  H   UNL     1       7.871   2.180  -0.353  1.00  0.00           H  
HETATM   45  H   UNL     1       5.937   1.345  -1.627  1.00  0.00           H  
HETATM   46  H   UNL     1       2.389  -1.643   0.867  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.081  -1.984   1.570  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.736  -4.295   0.101  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.109   2.423   1.641  1.00  0.00           H  
CONECT    1   30   30                                                 
CONECT    2   16    3    3   31                                       
CONECT    3    2    2   27   26                                       
CONECT    4   30   30                                                 
CONECT    5    7    7   14   32                                       
CONECT    6    8    8   21   33                                       
CONECT    7   22    5    5   34                                       
CONECT    8   10   15    6    6                                       
CONECT    9   27   27   17   35                                       
CONECT   10   19   19    8   36                                       
CONECT   11   29   12   37   38                                       
CONECT   12   11   14   39   40                                       
CONECT   13   25   25                                                 
CONECT   14   12   18   18    5                                       
CONECT   15    8   41                                                 
CONECT   16   17   17   25    2                                       
CONECT   17    9   16   16   42                                       
CONECT   18   14   14   23   43                                       
CONECT   19   20   10   10   44                                       
CONECT   20   21   21   19   45                                       
CONECT   21   30   20   20    6                                       
CONECT   22   23   23   30    7                                       
CONECT   23   18   22   22   46                                       
CONECT   24   25   25                                                 
CONECT   25   16   13   13   29                                       
CONECT   25   24   24                                                 
CONECT   26    3   47                                                 
CONECT   27   28    9    9    3                                       
CONECT   28   27   48                                                 
CONECT   29   25   11   49                                            
CONECT   30   22   21    4    4                                       
CONECT   30    1    1                                                 
CONECT   31    2                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   15                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   23                                                      
CONECT   47   26                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
