COMPND    HMDB0031154
HETATM    1  C1  UNL     1       2.933   0.538   0.286  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.644  -0.748   0.191  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.939  -1.304  -1.023  1.00  0.00           C  
HETATM    4  S1  UNL     1       1.632   0.053  -2.156  1.00  0.00           S  
HETATM    5  S2  UNL     1       0.242   1.382  -1.231  1.00  0.00           S  
HETATM    6  S3  UNL     1      -1.704   0.775  -1.757  1.00  0.00           S  
HETATM    7  C4  UNL     1      -2.411  -0.402  -0.611  1.00  0.00           C  
HETATM    8  C5  UNL     1      -2.679   0.137   0.731  1.00  0.00           C  
HETATM    9  C6  UNL     1      -2.407   1.401   1.026  1.00  0.00           C  
HETATM   10  H1  UNL     1       2.679   1.238  -0.496  1.00  0.00           H  
HETATM   11  H2  UNL     1       3.438   0.883   1.175  1.00  0.00           H  
HETATM   12  H3  UNL     1       2.912  -1.421   0.990  1.00  0.00           H  
HETATM   13  H4  UNL     1       1.017  -1.836  -0.723  1.00  0.00           H  
HETATM   14  H5  UNL     1       2.656  -2.046  -1.469  1.00  0.00           H  
HETATM   15  H6  UNL     1      -1.806  -1.351  -0.545  1.00  0.00           H  
HETATM   16  H7  UNL     1      -3.403  -0.716  -1.047  1.00  0.00           H  
HETATM   17  H8  UNL     1      -3.103  -0.490   1.504  1.00  0.00           H  
HETATM   18  H9  UNL     1      -1.976   2.091   0.292  1.00  0.00           H  
HETATM   19  H10 UNL     1      -2.603   1.816   2.022  1.00  0.00           H  
CONECT    1    2    2   10   11
CONECT    2    3   12
CONECT    3    4   13   14
CONECT    4    5
CONECT    5    6
CONECT    6    7
CONECT    7    8   15   16
CONECT    8    9    9   17
CONECT    9   18   19
END