COMPND    HMDB0040061
HETATM    1  C1  UNL     1       3.353  -0.734  -0.157  1.00  0.00           C  
HETATM    2  S1  UNL     1       2.230  -0.545   1.231  1.00  0.00           S  
HETATM    3  C2  UNL     1       0.644   0.136   0.729  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.452   1.511   0.723  1.00  0.00           C  
HETATM    5  N1  UNL     1      -0.716   2.071   0.356  1.00  0.00           N  
HETATM    6  C4  UNL     1      -1.721   1.267  -0.014  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.539  -0.113  -0.012  1.00  0.00           C  
HETATM    8  C6  UNL     1      -2.701  -0.949  -0.436  1.00  0.00           C  
HETATM    9  N2  UNL     1      -0.373  -0.672   0.354  1.00  0.00           N  
HETATM   10  H1  UNL     1       3.859   0.260  -0.321  1.00  0.00           H  
HETATM   11  H2  UNL     1       4.089  -1.522   0.097  1.00  0.00           H  
HETATM   12  H3  UNL     1       2.759  -1.018  -1.054  1.00  0.00           H  
HETATM   13  H4  UNL     1       1.310   2.111   1.035  1.00  0.00           H  
HETATM   14  H5  UNL     1      -2.665   1.706  -0.311  1.00  0.00           H  
HETATM   15  H6  UNL     1      -3.524  -0.720   0.277  1.00  0.00           H  
HETATM   16  H7  UNL     1      -2.989  -0.765  -1.483  1.00  0.00           H  
HETATM   17  H8  UNL     1      -2.467  -2.024  -0.328  1.00  0.00           H  
CONECT    1    2   10   11   12
CONECT    2    3
CONECT    3    4    4    9
CONECT    4    5   13
CONECT    5    6    6
CONECT    6    7   14
CONECT    7    8    9    9
CONECT    8   15   16   17
END