COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.315   0.357  -0.202  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.659   1.332   0.777  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.418   0.187  -1.430  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.299   0.780   1.212  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.058  -0.364  -0.996  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.049   0.443  -0.563  1.00  0.00           C  
HETATM    7  C   UNL     1       2.400   0.248  -1.097  1.00  0.00           C  
HETATM    8  C   UNL     1       1.691   0.504   1.255  1.00  0.00           C  
HETATM    9  C   UNL     1       3.432   1.091  -0.320  1.00  0.00           C  
HETATM   10  C   UNL     1       2.628   1.675   0.868  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.402   0.610  -0.016  1.00  0.00           C  
HETATM   12  C   UNL     1       1.292  -0.124  -0.096  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.097   0.081   0.401  1.00  0.00           N  
HETATM   14  O   UNL     1       0.677  -2.505  -1.131  1.00  0.00           O  
HETATM   15  O   UNL     1       2.346  -2.445   0.694  1.00  0.00           O  
HETATM   16  O   UNL     1       3.943   2.141  -1.143  1.00  0.00           O  
HETATM   17  O   UNL     1       1.871   2.815   0.455  1.00  0.00           O  
HETATM   18  O   UNL     1       0.074  -2.150   1.085  1.00  0.00           O  
HETATM   19  S   UNL     1       1.181  -1.928   0.065  1.00  0.00           S  
HETATM   20  H   UNL     1      -5.453  -0.609   0.283  1.00  0.00           H  
HETATM   21  H   UNL     1      -6.284   0.750  -0.512  1.00  0.00           H  
HETATM   22  H   UNL     1      -4.521   2.298   0.292  1.00  0.00           H  
HETATM   23  H   UNL     1      -5.298   1.453   1.652  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.885  -0.507  -2.128  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.280   1.153  -1.916  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.832   1.475   1.910  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.437  -0.186   1.698  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.196  -1.331  -0.510  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.419  -0.486  -1.871  1.00  0.00           H  
HETATM   30  H   UNL     1       0.020   1.529  -0.633  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.297   0.031  -1.541  1.00  0.00           H  
HETATM   32  H   UNL     1       1.981   0.834  -1.916  1.00  0.00           H  
HETATM   33  H   UNL     1       2.871  -0.654  -1.486  1.00  0.00           H  
HETATM   34  H   UNL     1       2.221  -0.221   1.872  1.00  0.00           H  
HETATM   35  H   UNL     1       0.810   0.878   1.779  1.00  0.00           H  
HETATM   36  H   UNL     1       4.244   0.460   0.043  1.00  0.00           H  
HETATM   37  H   UNL     1       3.291   1.929   1.695  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.264   1.576  -0.502  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.859   0.396   1.329  1.00  0.00           H  
HETATM   40  H   UNL     1       4.596   2.702  -0.704  1.00  0.00           H  
HETATM   41  H   UNL     1       2.410   3.547   0.127  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.102  -3.082   1.277  1.00  0.00           H  
CONECT    1    2    3   20   21                                       
CONECT    2    1    4   22   23                                       
CONECT    3    1    5   24   25                                       
CONECT    4    2   11   26   27                                       
CONECT    5    3   11   28   29                                       
CONECT    6   13   12   30   31                                       
CONECT    7   12    9   32   33                                       
CONECT    8   12   10   34   35                                       
CONECT    9    7   16   10   36                                       
CONECT   10    9   17    8   37                                       
CONECT   11    4    5   13   38                                       
CONECT   12    7    6   19    8                                       
CONECT   13   11    6   39                                            
CONECT   14   19   19                                                 
CONECT   15   19   19                                                 
CONECT   16    9   40                                                 
CONECT   17   10   41                                                 
CONECT   18   19   42                                                 
CONECT   19   14   14   12   15                                       
CONECT   19   15   18                                                 
CONECT   20    1                                                      
CONECT   21    1                                                      
CONECT   22    2                                                      
CONECT   23    2                                                      
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
