COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.185  -0.520  -0.155  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.705  -0.436   0.011  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.230   0.769  -0.775  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.521   2.035  -0.283  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.009   1.855  -0.437  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.290   3.091   0.108  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.307  -1.632  -0.489  1.00  0.00           O  
HETATM    8  O   UNL     1      -6.639   0.898  -0.568  1.00  0.00           O  
HETATM    9  O   UNL     1      -4.838   2.255   1.093  1.00  0.00           O  
HETATM   10  O   UNL     1      -2.590   0.700   0.293  1.00  0.00           O  
HETATM   11  O   UNL     1      -0.887   2.975  -0.141  1.00  0.00           O  
HETATM   12  C   UNL     1       3.800  -3.064  -1.274  1.00  0.00           C  
HETATM   13  C   UNL     1       3.291  -2.010  -0.623  1.00  0.00           C  
HETATM   14  C   UNL     1       1.853  -1.984  -0.266  1.00  0.00           C  
HETATM   15  C   UNL     1       1.342  -2.911   0.644  1.00  0.00           C  
HETATM   16  C   UNL     1       0.005  -2.884   0.975  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.836  -1.934   0.404  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.329  -1.010  -0.503  1.00  0.00           C  
HETATM   19  C   UNL     1       1.009  -1.029  -0.833  1.00  0.00           C  
HETATM   20  C   UNL     1       4.166  -0.870  -0.260  1.00  0.00           C  
HETATM   21  C   UNL     1       4.414  -0.579   1.081  1.00  0.00           C  
HETATM   22  C   UNL     1       5.233   0.479   1.415  1.00  0.00           C  
HETATM   23  C   UNL     1       4.747  -0.090  -1.259  1.00  0.00           C  
HETATM   24  C   UNL     1       5.560   0.970  -0.918  1.00  0.00           C  
HETATM   25  C   UNL     1       5.810   1.254   0.418  1.00  0.00           C  
HETATM   26  O   UNL     1       6.616   2.296   0.751  1.00  0.00           O  
HETATM   27  C   UNL     1       7.177   3.051  -0.325  1.00  0.00           C  
HETATM   28  S   UNL     1      -2.545  -1.902   0.830  1.00  0.00           S  
HETATM   29  H   UNL     1      -2.942  -0.679  -1.205  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.950  -0.319   1.066  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.029   0.628  -1.837  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.849   2.889  -0.874  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.763   1.727  -1.491  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.674   3.983  -0.387  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.463   3.168   1.182  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.015  -2.437  -0.040  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.150   0.127  -0.853  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.782   2.377   1.265  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.368   3.725   0.179  1.00  0.00           H  
HETATM   40  H   UNL     1       4.848  -3.083  -1.535  1.00  0.00           H  
HETATM   41  H   UNL     1       3.162  -3.895  -1.539  1.00  0.00           H  
HETATM   42  H   UNL     1       1.995  -3.648   1.087  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.391  -3.601   1.679  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.983  -0.273  -0.945  1.00  0.00           H  
HETATM   45  H   UNL     1       1.403  -0.311  -1.537  1.00  0.00           H  
HETATM   46  H   UNL     1       3.965  -1.181   1.857  1.00  0.00           H  
HETATM   47  H   UNL     1       5.425   0.705   2.453  1.00  0.00           H  
HETATM   48  H   UNL     1       4.561  -0.315  -2.299  1.00  0.00           H  
HETATM   49  H   UNL     1       6.011   1.575  -1.691  1.00  0.00           H  
HETATM   50  H   UNL     1       7.786   2.398  -0.949  1.00  0.00           H  
HETATM   51  H   UNL     1       6.374   3.482  -0.923  1.00  0.00           H  
HETATM   52  H   UNL     1       7.799   3.851   0.078  1.00  0.00           H  
CONECT    1   10    2   28   29                                       
CONECT    2    3    1    7   30                                       
CONECT    3    4    8    2   31                                       
CONECT    4    9    5    3   32                                       
CONECT    5    6    4   10   33                                       
CONECT    6   11    5   34   35                                       
CONECT    7    2   36                                                 
CONECT    8    3   37                                                 
CONECT    9    4   38                                                 
CONECT   10    5    1                                                 
CONECT   11    6   39                                                 
CONECT   12   13   13   40   41                                       
CONECT   13   14   20   12   12                                       
CONECT   14   19   19   15   13                                       
CONECT   15   16   16   14   42                                       
CONECT   16   17   15   15   43                                       
CONECT   17   28   18   18   16                                       
CONECT   18   17   17   19   44                                       
CONECT   19   18   14   14   45                                       
CONECT   20   21   21   23   13                                       
CONECT   21   22   20   20   46                                       
CONECT   22   25   25   21   47                                       
CONECT   23   24   24   20   48                                       
CONECT   24   25   23   23   49                                       
CONECT   25   22   22   26   24                                       
CONECT   26   27   25                                                 
CONECT   27   26   50   51   52                                       
CONECT   28    1   17                                                 
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
