COMPND    HMDB0040199
HETATM    1  C1  UNL     1       3.439  -1.023   0.651  1.00  0.00           C  
HETATM    2  S1  UNL     1       2.388  -1.115  -0.822  1.00  0.00           S  
HETATM    3  S2  UNL     1       0.349  -1.392  -0.308  1.00  0.00           S  
HETATM    4  C2  UNL     1      -0.501   0.143  -0.096  1.00  0.00           C  
HETATM    5  C3  UNL     1       0.015   1.401  -0.228  1.00  0.00           C  
HETATM    6  C4  UNL     1      -1.028   2.268   0.034  1.00  0.00           C  
HETATM    7  O1  UNL     1      -2.102   1.566   0.306  1.00  0.00           O  
HETATM    8  C5  UNL     1      -1.822   0.282   0.237  1.00  0.00           C  
HETATM    9  C6  UNL     1      -2.791  -0.820   0.483  1.00  0.00           C  
HETATM   10  H1  UNL     1       3.139  -1.761   1.420  1.00  0.00           H  
HETATM   11  H2  UNL     1       3.408   0.016   1.029  1.00  0.00           H  
HETATM   12  H3  UNL     1       4.480  -1.242   0.328  1.00  0.00           H  
HETATM   13  H4  UNL     1       1.025   1.709  -0.483  1.00  0.00           H  
HETATM   14  H5  UNL     1      -1.018   3.353   0.029  1.00  0.00           H  
HETATM   15  H6  UNL     1      -3.791  -0.592   0.114  1.00  0.00           H  
HETATM   16  H7  UNL     1      -2.755  -1.052   1.571  1.00  0.00           H  
HETATM   17  H8  UNL     1      -2.433  -1.740  -0.036  1.00  0.00           H  
CONECT    1    2   10   11   12
CONECT    2    3
CONECT    3    4
CONECT    4    5    8    8
CONECT    5    6    6   13
CONECT    6    7   14
CONECT    7    8
CONECT    8    9
CONECT    9   15   16   17
END