COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.388  -0.001  -0.083  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.548   0.639  -0.249  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.071   0.340  -0.236  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.265   0.803  -1.260  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.912   0.532  -1.254  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.358  -0.210  -0.212  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.905  -0.504  -0.199  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.398  -1.737  -0.316  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.220  -2.991  -0.469  1.00  0.00           C  
HETATM   10  S   UNL     1       0.355  -1.695  -0.258  1.00  0.00           S  
HETATM   11  N   UNL     1       1.545   0.755   0.024  1.00  0.00           N  
HETATM   12  C   UNL     1       2.750   0.151  -0.001  1.00  0.00           C  
HETATM   13  O   UNL     1       2.821  -1.054  -0.117  1.00  0.00           O  
HETATM   14  C   UNL     1       4.008   0.972   0.116  1.00  0.00           C  
HETATM   15  C   UNL     1       5.227   0.049   0.061  1.00  0.00           C  
HETATM   16  C   UNL     1       6.504   0.883   0.179  1.00  0.00           C  
HETATM   17  C   UNL     1       7.704  -0.026   0.125  1.00  0.00           C  
HETATM   18  O   UNL     1       7.554  -1.219   0.004  1.00  0.00           O  
HETATM   19  O   UNL     1       8.941   0.489   0.211  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.879   0.516  -0.069  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.170   1.946   0.063  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.337   2.489   1.285  1.00  0.00           N  
HETATM   23  O   UNL     1      -1.261   2.643  -0.931  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.175  -0.675   0.818  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.526  -0.392   0.803  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.410  -0.888   1.919  1.00  0.00           C  
HETATM   27  H   UNL     1      -7.733   1.580   0.270  1.00  0.00           H  
HETATM   28  H   UNL     1      -7.894   0.719  -1.280  1.00  0.00           H  
HETATM   29  H   UNL     1      -8.087  -0.164   0.254  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.696   1.378  -2.067  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.284   0.894  -2.055  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.557  -3.854  -0.537  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.876  -3.104   0.394  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.821  -2.923  -1.376  1.00  0.00           H  
HETATM   35  H   UNL     1       1.488   1.719   0.117  1.00  0.00           H  
HETATM   36  H   UNL     1       4.054   1.685  -0.707  1.00  0.00           H  
HETATM   37  H   UNL     1       4.003   1.511   1.064  1.00  0.00           H  
HETATM   38  H   UNL     1       5.180  -0.664   0.884  1.00  0.00           H  
HETATM   39  H   UNL     1       5.231  -0.490  -0.886  1.00  0.00           H  
HETATM   40  H   UNL     1       6.550   1.596  -0.644  1.00  0.00           H  
HETATM   41  H   UNL     1       6.499   1.422   1.127  1.00  0.00           H  
HETATM   42  H   UNL     1       9.680  -0.134   0.171  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.264   1.934   2.077  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.529   3.436   1.372  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.751  -1.250   1.627  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.795  -1.876   1.666  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.832  -0.948   2.841  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.242  -0.198   2.057  1.00  0.00           H  
CONECT    1   10   20   20   11                                       
CONECT    2    3   27   28   29                                       
CONECT    3    4    2   25   25                                       
CONECT    4    5    5    3   30                                       
CONECT    5    4    4    6   31                                       
CONECT    6    5    7   24   24                                       
CONECT    7    8    8    6   20                                       
CONECT    8    9   10    7    7                                       
CONECT    9    8   32   33   34                                       
CONECT   10    8    1                                                 
CONECT   11    1   12   35                                            
CONECT   12   13   13   11   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   36   37                                       
CONECT   15   14   16   38   39                                       
CONECT   16   15   17   40   41                                       
CONECT   17   18   18   16   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   42                                                 
CONECT   20    7    1    1   21                                       
CONECT   21   20   22   23   23                                       
CONECT   22   21   43   44                                            
CONECT   23   21   21                                                 
CONECT   24    6    6   25   45                                       
CONECT   25    3    3   24   26                                       
CONECT   26   25   46   47   48                                       
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   19                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
