COMPND    HMDB0040105
HETATM    1  C1  UNL     1      -2.289   1.311  -0.083  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.970  -0.061  -0.106  1.00  0.00           C  
HETATM    3  C3  UNL     1      -2.179  -0.941   0.836  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.757  -1.066   0.403  1.00  0.00           C  
HETATM    5  N1  UNL     1       0.306  -0.360   0.684  1.00  0.00           N  
HETATM    6  C5  UNL     1       1.458  -0.663   0.181  1.00  0.00           C  
HETATM    7  C6  UNL     1       2.715   0.130   0.481  1.00  0.00           C  
HETATM    8  C7  UNL     1       2.915   1.243  -0.503  1.00  0.00           C  
HETATM    9  C8  UNL     1       1.524  -1.749  -0.657  1.00  0.00           C  
HETATM   10  S1  UNL     1      -0.115  -2.268  -0.659  1.00  0.00           S  
HETATM   11  H1  UNL     1      -1.414   1.234  -0.755  1.00  0.00           H  
HETATM   12  H2  UNL     1      -3.042   2.035  -0.408  1.00  0.00           H  
HETATM   13  H3  UNL     1      -2.020   1.493   0.971  1.00  0.00           H  
HETATM   14  H4  UNL     1      -3.985   0.099   0.307  1.00  0.00           H  
HETATM   15  H5  UNL     1      -3.035  -0.465  -1.115  1.00  0.00           H  
HETATM   16  H6  UNL     1      -2.616  -1.946   0.929  1.00  0.00           H  
HETATM   17  H7  UNL     1      -2.164  -0.492   1.849  1.00  0.00           H  
HETATM   18  H8  UNL     1       3.594  -0.518   0.463  1.00  0.00           H  
HETATM   19  H9  UNL     1       2.655   0.573   1.495  1.00  0.00           H  
HETATM   20  H10 UNL     1       1.979   1.727  -0.817  1.00  0.00           H  
HETATM   21  H11 UNL     1       3.431   0.858  -1.420  1.00  0.00           H  
HETATM   22  H12 UNL     1       3.598   1.981  -0.041  1.00  0.00           H  
HETATM   23  H13 UNL     1       2.410  -2.156  -1.176  1.00  0.00           H  
CONECT    1    2   11   12   13
CONECT    2    3   14   15
CONECT    3    4   16   17
CONECT    4    5    5   10
CONECT    5    6
CONECT    6    7    9    9
CONECT    7    8   18   19
CONECT    8   20   21   22
CONECT    9   10   23
END