COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.287   0.543   1.280  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.590  -2.487  -1.344  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.481  -1.888  -0.882  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.395  -2.241  -1.275  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.592  -0.774   0.127  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.381   0.376  -0.494  1.00  0.00           C  
HETATM    7  S   UNL     1      -3.237   1.787  -0.433  1.00  0.00           S  
HETATM    8  C   UNL     1      -1.895   0.912   0.322  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.643   1.391   0.686  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.324   2.696   0.461  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.324   3.512  -0.152  1.00  0.00           C  
HETATM   12  C   UNL     1       1.649   1.049   1.680  1.00  0.00           C  
HETATM   13  C   UNL     1       2.576   0.989   0.493  1.00  0.00           C  
HETATM   14  C   UNL     1       2.732   2.077  -0.309  1.00  0.00           C  
HETATM   15  C   UNL     1       3.585   2.041  -1.411  1.00  0.00           C  
HETATM   16  C   UNL     1       4.286   0.916  -1.717  1.00  0.00           C  
HETATM   17  C   UNL     1       4.151  -0.229  -0.912  1.00  0.00           C  
HETATM   18  C   UNL     1       4.863  -1.407  -1.193  1.00  0.00           C  
HETATM   19  C   UNL     1       4.715  -2.492  -0.385  1.00  0.00           C  
HETATM   20  C   UNL     1       3.866  -2.454   0.719  1.00  0.00           C  
HETATM   21  C   UNL     1       3.160  -1.330   1.022  1.00  0.00           C  
HETATM   22  C   UNL     1       3.288  -0.190   0.212  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.071  -0.773   1.499  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.335  -1.214   1.126  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.640  -2.381   1.326  1.00  0.00           O  
HETATM   26  N   UNL     1      -2.247  -0.379   0.544  1.00  0.00           N  
HETATM   27  H   UNL     1      -4.468  -3.197  -1.990  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.136  -1.141   0.997  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.645   0.144  -1.526  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.275   0.585   0.092  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.213   3.532   0.478  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.942   4.525  -0.274  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.580   3.100  -1.129  1.00  0.00           H  
HETATM   34  H   UNL     1       1.567   2.080   2.024  1.00  0.00           H  
HETATM   35  H   UNL     1       2.046   0.428   2.483  1.00  0.00           H  
HETATM   36  H   UNL     1       2.187   2.983  -0.088  1.00  0.00           H  
HETATM   37  H   UNL     1       3.690   2.918  -2.031  1.00  0.00           H  
HETATM   38  H   UNL     1       4.943   0.902  -2.574  1.00  0.00           H  
HETATM   39  H   UNL     1       5.524  -1.451  -2.046  1.00  0.00           H  
HETATM   40  H   UNL     1       5.263  -3.397  -0.603  1.00  0.00           H  
HETATM   41  H   UNL     1       3.766  -3.330   1.344  1.00  0.00           H  
HETATM   42  H   UNL     1       2.506  -1.315   1.881  1.00  0.00           H  
HETATM   43  H   UNL     1       0.628  -1.456   1.958  1.00  0.00           H  
CONECT    1   23   23   12    9                                       
CONECT    2    3   27                                                 
CONECT    3    5    4    4    2                                       
CONECT    4    3    3                                                 
CONECT    5   26    3    6   28                                       
CONECT    6    5    7   29   30                                       
CONECT    7    8    6                                                 
CONECT    8   26    9    9    7                                       
CONECT    9    1    8    8   10                                       
CONECT   10    9   11                                                 
CONECT   11   10   31   32   33                                       
CONECT   12   13    1   34   35                                       
CONECT   13   22   12   14   14                                       
CONECT   14   13   13   15   36                                       
CONECT   15   16   16   14   37                                       
CONECT   16   17   15   15   38                                       
CONECT   17   18   18   22   16                                       
CONECT   18   19   17   17   39                                       
CONECT   19   20   20   18   40                                       
CONECT   20   19   19   21   41                                       
CONECT   21   20   22   22   42                                       
CONECT   22   21   21   17   13                                       
CONECT   23   24    1    1   43                                       
CONECT   24   25   25   23   26                                       
CONECT   25   24   24                                                 
CONECT   26   24    5    8                                            
CONECT   27    2                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
