COMPND    HMDB0240694
HETATM    1  C1  UNL     1      -1.032   2.503   0.026  1.00  0.00           C  
HETATM    2  O1  UNL     1      -0.321   1.473   0.716  1.00  0.00           O  
HETATM    3  C2  UNL     1      -0.520   0.182   0.256  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.520  -0.616   0.753  1.00  0.00           C  
HETATM    5  O2  UNL     1      -2.363  -0.120   1.750  1.00  0.00           O  
HETATM    6  C4  UNL     1      -1.713  -1.907   0.289  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.869  -2.387  -0.701  1.00  0.00           C  
HETATM    8  C6  UNL     1       0.140  -1.614  -1.218  1.00  0.00           C  
HETATM    9  C7  UNL     1       0.292  -0.346  -0.729  1.00  0.00           C  
HETATM   10  O3  UNL     1       1.298   0.459  -1.228  1.00  0.00           O  
HETATM   11  S1  UNL     1       2.816   0.372  -0.425  1.00  0.00           S  
HETATM   12  O4  UNL     1       3.292  -1.067  -0.495  1.00  0.00           O  
HETATM   13  O5  UNL     1       3.768   1.303  -1.094  1.00  0.00           O  
HETATM   14  O6  UNL     1       2.612   0.747   1.212  1.00  0.00           O  
HETATM   15  H1  UNL     1      -0.577   2.555  -0.997  1.00  0.00           H  
HETATM   16  H2  UNL     1      -1.023   3.457   0.558  1.00  0.00           H  
HETATM   17  H3  UNL     1      -2.070   2.123  -0.147  1.00  0.00           H  
HETATM   18  H4  UNL     1      -2.238   0.819   2.102  1.00  0.00           H  
HETATM   19  H5  UNL     1      -2.499  -2.541   0.677  1.00  0.00           H  
HETATM   20  H6  UNL     1      -0.974  -3.394  -1.104  1.00  0.00           H  
HETATM   21  H7  UNL     1       0.810  -1.957  -1.984  1.00  0.00           H  
HETATM   22  H8  UNL     1       2.690  -0.045   1.785  1.00  0.00           H  
CONECT    1    2   15   16   17
CONECT    2    3
CONECT    3    4    4    9
CONECT    4    5    6
CONECT    5   18
CONECT    6    7    7   19
CONECT    7    8   20
CONECT    8    9    9   21
CONECT    9   10
CONECT   10   11
CONECT   11   12   12   13   13
CONECT   11   14
CONECT   14   22
END