COMPND    HMDB0246049
HETATM    1  O1  UNL     1       2.459  -1.574  -1.108  1.00  0.00           O  
HETATM    2  S1  UNL     1       2.037  -0.247  -0.569  1.00  0.00           S  
HETATM    3  O2  UNL     1       2.466   0.834  -1.515  1.00  0.00           O  
HETATM    4  O3  UNL     1       2.889   0.013   0.877  1.00  0.00           O  
HETATM    5  C1  UNL     1       0.329  -0.199  -0.252  1.00  0.00           C  
HETATM    6  C2  UNL     1      -0.421  -1.331  -0.540  1.00  0.00           C  
HETATM    7  C3  UNL     1      -1.776  -1.276  -0.282  1.00  0.00           C  
HETATM    8 CL1  UNL     1      -2.825  -2.643  -0.605  1.00  0.00          CL  
HETATM    9  C4  UNL     1      -2.347  -0.127   0.245  1.00  0.00           C  
HETATM   10  C5  UNL     1      -1.580   0.998   0.528  1.00  0.00           C  
HETATM   11 CL2  UNL     1      -2.235   2.462   1.186  1.00  0.00          CL  
HETATM   12  C6  UNL     1      -0.227   0.940   0.269  1.00  0.00           C  
HETATM   13  O4  UNL     1       0.608   2.020   0.523  1.00  0.00           O  
HETATM   14  H1  UNL     1       3.739  -0.490   0.826  1.00  0.00           H  
HETATM   15  H2  UNL     1       0.014  -2.231  -0.950  1.00  0.00           H  
HETATM   16  H3  UNL     1      -3.406  -0.044   0.461  1.00  0.00           H  
HETATM   17  H4  UNL     1       0.275   2.895   0.906  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    3    4    5
CONECT    4   14
CONECT    5    6    6   12
CONECT    6    7   15
CONECT    7    8    9    9
CONECT    9   10   16
CONECT   10   11   12   12
CONECT   12   13
CONECT   13   17
END