COMPND    HMDB0304903
HETATM    1  O1  UNL     1       4.588   0.443  -0.397  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.780   1.219   0.125  1.00  0.00           C  
HETATM    3  O2  UNL     1       4.219   2.437   0.614  1.00  0.00           O  
HETATM    4  C2  UNL     1       2.350   0.844   0.225  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.921  -0.318  -0.240  1.00  0.00           C  
HETATM    6  C4  UNL     1       0.547  -0.735  -0.171  1.00  0.00           C  
HETATM    7  C5  UNL     1       0.221  -1.989  -0.698  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.068  -2.442  -0.663  1.00  0.00           C  
HETATM    9  C7  UNL     1      -2.080  -1.701  -0.118  1.00  0.00           C  
HETATM   10  O3  UNL     1      -3.391  -2.185  -0.092  1.00  0.00           O1-
HETATM   11  C8  UNL     1      -1.764  -0.467   0.402  1.00  0.00           C  
HETATM   12  O4  UNL     1      -2.748   0.303   0.956  1.00  0.00           O  
HETATM   13  S1  UNL     1      -3.583   1.388  -0.070  1.00  0.00           S  
HETATM   14  O5  UNL     1      -3.435   0.980  -1.508  1.00  0.00           O  
HETATM   15  O6  UNL     1      -5.029   1.343   0.307  1.00  0.00           O  
HETATM   16  O7  UNL     1      -2.925   2.923   0.081  1.00  0.00           O1-
HETATM   17  C9  UNL     1      -0.474  -0.014   0.367  1.00  0.00           C  
HETATM   18  H1  UNL     1       5.173   2.464   0.989  1.00  0.00           H  
HETATM   19  H2  UNL     1       1.640   1.519   0.680  1.00  0.00           H  
HETATM   20  H3  UNL     1       2.683  -0.953  -0.686  1.00  0.00           H  
HETATM   21  H4  UNL     1       0.988  -2.595  -1.132  1.00  0.00           H  
HETATM   22  H5  UNL     1      -1.333  -3.427  -1.076  1.00  0.00           H  
HETATM   23  H6  UNL     1      -0.278   0.962   0.789  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   18
CONECT    4    5    5   19
CONECT    5    6   20
CONECT    6    7    7   17
CONECT    7    8   21
CONECT    8    9    9   22
CONECT    9   10   11
CONECT   11   12   17   17
CONECT   12   13
CONECT   13   14   14   15   15
CONECT   13   16
CONECT   17   23
END