COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.247   0.788   0.018  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.842   0.657  -0.580  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.141  -0.549   0.052  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.990  -1.802  -0.179  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.326  -3.001   0.501  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.014  -0.516  -0.212  1.00  0.00           C  
HETATM    7  O   UNL     1      -6.306  -0.422   0.391  1.00  0.00           O  
HETATM    8  O   UNL     1      -4.938   1.867  -0.615  1.00  0.00           O  
HETATM    9  O   UNL     1      -2.094   1.843  -0.305  1.00  0.00           O  
HETATM   10  O   UNL     1      -0.857  -0.725  -0.550  1.00  0.00           O  
HETATM   11  O   UNL     1      -4.292  -1.602   0.373  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.055  -4.190   0.188  1.00  0.00           O  
HETATM   13  C   UNL     1       0.195  -0.015   0.108  1.00  0.00           C  
HETATM   14  C   UNL     1       1.535  -0.372  -0.542  1.00  0.00           C  
HETATM   15  C   UNL     1       2.650   0.437   0.128  1.00  0.00           C  
HETATM   16  C   UNL     1       2.325   1.929   0.009  1.00  0.00           C  
HETATM   17  C   UNL     1       0.955   2.197   0.637  1.00  0.00           C  
HETATM   18  C   UNL     1       0.596   3.675   0.470  1.00  0.00           C  
HETATM   19  O   UNL     1       1.791  -1.768  -0.374  1.00  0.00           O  
HETATM   20  O   UNL     1       3.894   0.164  -0.519  1.00  0.00           O  
HETATM   21  O   UNL     1       2.300   2.304  -1.369  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.031   1.391  -0.011  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.627   3.950   1.156  1.00  0.00           O  
HETATM   24  S   UNL     1       4.718  -0.923   0.157  1.00  0.00           S  
HETATM   25  O   UNL     1       5.985  -0.923  -0.485  1.00  0.00           O  
HETATM   26  O   UNL     1       4.555  -0.738   1.556  1.00  0.00           O  
HETATM   27  O   UNL     1       4.066  -2.257  -0.179  1.00  0.00           O  
HETATM   28  H   UNL     1      -4.171   0.982   1.088  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.917   0.512  -1.657  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.021  -0.382   1.122  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.074  -1.991  -1.250  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.301  -3.099   0.144  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.322  -2.851   1.580  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.125  -0.689  -1.283  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.848  -1.216   0.286  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.837   2.004  -0.288  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.484   2.648  -0.671  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.689  -4.991   0.586  1.00  0.00           H  
HETATM   39  H   UNL     1       0.217  -0.292   1.161  1.00  0.00           H  
HETATM   40  H   UNL     1       1.500  -0.132  -1.605  1.00  0.00           H  
HETATM   41  H   UNL     1       2.718   0.162   1.181  1.00  0.00           H  
HETATM   42  H   UNL     1       3.085   2.510   0.532  1.00  0.00           H  
HETATM   43  H   UNL     1       0.986   1.949   1.698  1.00  0.00           H  
HETATM   44  H   UNL     1       1.393   4.292   0.886  1.00  0.00           H  
HETATM   45  H   UNL     1       0.477   3.902  -0.590  1.00  0.00           H  
HETATM   46  H   UNL     1       1.123  -2.341  -0.775  1.00  0.00           H  
HETATM   47  H   UNL     1       2.099   3.238  -1.519  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.915   4.870   1.092  1.00  0.00           H  
HETATM   49  H   UNL     1       4.515  -3.022   0.205  1.00  0.00           H  
CONECT    1    8    2    6   28                                       
CONECT    2    9    1    3   29                                       
CONECT    3    2   10    4   30                                       
CONECT    4    3   11    5   31                                       
CONECT    5    4   12   32   33                                       
CONECT    6    1    7   11   34                                       
CONECT    7    6   35                                                 
CONECT    8    1   36                                                 
CONECT    9    2   37                                                 
CONECT   10   13    3                                                 
CONECT   11    6    4                                                 
CONECT   12    5   38                                                 
CONECT   13   14   10   22   39                                       
CONECT   14   15   19   13   40                                       
CONECT   15   20   16   14   41                                       
CONECT   16   21   15   17   42                                       
CONECT   17   16   22   18   43                                       
CONECT   18   17   23   44   45                                       
CONECT   19   14   46                                                 
CONECT   20   24   15                                                 
CONECT   21   16   47                                                 
CONECT   22   17   13                                                 
CONECT   23   18   48                                                 
CONECT   24   26   26   20   25                                       
CONECT   24   25   27                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27   24   49                                                 
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
