COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.565  -1.733   1.175  1.00  0.00           O  
HETATM    2  S   UNL     1       5.795  -0.436   0.643  1.00  0.00           S  
HETATM    3  O   UNL     1       6.287   0.647   1.421  1.00  0.00           O  
HETATM    4  N   UNL     1       6.853  -0.627  -0.615  1.00  0.00           N  
HETATM    5  C   UNL     1       4.262   0.100  -0.041  1.00  0.00           C  
HETATM    6  C   UNL     1       3.148  -0.709   0.048  1.00  0.00           C  
HETATM    7  C   UNL     1       4.176   1.333  -0.662  1.00  0.00           C  
HETATM    8  C   UNL     1       5.395   2.215  -0.751  1.00  0.00           C  
HETATM    9  C   UNL     1       2.977   1.760  -1.202  1.00  0.00           C  
HETATM   10  C   UNL     1       1.857   0.957  -1.123  1.00  0.00           C  
HETATM   11  C   UNL     1       1.936  -0.284  -0.494  1.00  0.00           C  
HETATM   12  C   UNL     1       0.737  -1.151  -0.407  1.00  0.00           C  
HETATM   13  N   UNL     1       0.722  -2.461  -0.466  1.00  0.00           N  
HETATM   14  N   UNL     1      -0.590  -2.930  -0.348  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.648  -0.700  -0.231  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.245   0.558  -0.105  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.599   0.658   0.050  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.177   1.883   0.172  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.309   3.017   0.129  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.134   4.297   0.281  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.441  -1.862  -0.207  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.819  -1.750  -0.050  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.396  -0.497   0.085  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.866  -0.375   0.254  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.530   0.381   1.240  1.00  0.00           C  
HETATM   26  N   UNL     1      -6.817   0.238   1.062  1.00  0.00           N  
HETATM   27  N   UNL     1      -7.024  -0.607  -0.035  1.00  0.00           N  
HETATM   28  C   UNL     1      -8.325  -1.022  -0.566  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.819  -0.969  -0.521  1.00  0.00           C  
HETATM   30  H   UNL     1       6.921  -1.483  -1.067  1.00  0.00           H  
HETATM   31  H   UNL     1       7.406   0.117  -0.902  1.00  0.00           H  
HETATM   32  H   UNL     1       3.215  -1.670   0.536  1.00  0.00           H  
HETATM   33  H   UNL     1       5.938   1.993  -1.669  1.00  0.00           H  
HETATM   34  H   UNL     1       5.088   3.261  -0.754  1.00  0.00           H  
HETATM   35  H   UNL     1       6.042   2.029   0.107  1.00  0.00           H  
HETATM   36  H   UNL     1       2.916   2.724  -1.686  1.00  0.00           H  
HETATM   37  H   UNL     1       0.921   1.292  -1.545  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.637   1.451  -0.131  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.586   2.953   0.942  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.783   3.035  -0.826  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.858   4.361  -0.532  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.661   4.278   1.235  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.472   5.162   0.248  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.437  -2.636  -0.031  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.058   0.974   2.009  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.651  -0.310  -1.324  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.236  -2.012  -1.012  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.055  -1.051   0.242  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.641  -1.617  -1.366  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.857  -3.863  -0.364  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    5    3    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    2    2                                                 
CONECT    4    2   30   31                                            
CONECT    5    6    6    7    2                                       
CONECT    6   11    5    5   32                                       
CONECT    7    9    9    5    8                                       
CONECT    8    7   33   34   35                                       
CONECT    9   10    7    7   36                                       
CONECT   10   11   11    9   37                                       
CONECT   11   12   10   10    6                                       
CONECT   12   15   13   13   11                                       
CONECT   13   14   12   12                                            
CONECT   14   21   13   50                                            
CONECT   15   16   21   21   12                                       
CONECT   16   17   17   15   38                                       
CONECT   17   18   23   16   16                                       
CONECT   18   19   17                                                 
CONECT   19   20   18   39   40                                       
CONECT   20   19   41   42   43                                       
CONECT   21   22   15   15   14                                       
CONECT   22   23   23   21   44                                       
CONECT   23   24   17   22   22                                       
CONECT   24   29   29   25   23                                       
CONECT   25   26   26   24   45                                       
CONECT   26   27   25   25                                            
CONECT   27   28   26   29                                            
CONECT   28   27   46   47   48                                       
CONECT   29   27   24   24   49                                       
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   16                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   25                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
CONECT   50   14                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
