COMPND    HMDB0240658
HETATM    1  O1  UNL     1       3.247  -0.562   1.881  1.00  0.00           O  
HETATM    2  S1  UNL     1       2.881  -1.296   0.634  1.00  0.00           S  
HETATM    3  O2  UNL     1       2.066  -2.494   1.042  1.00  0.00           O  
HETATM    4  O3  UNL     1       4.280  -1.890  -0.092  1.00  0.00           O  
HETATM    5  O4  UNL     1       2.089  -0.329  -0.500  1.00  0.00           O  
HETATM    6  C1  UNL     1       1.048   0.514  -0.237  1.00  0.00           C  
HETATM    7  C2  UNL     1       1.286   1.816   0.110  1.00  0.00           C  
HETATM    8  C3  UNL     1       0.232   2.697   0.384  1.00  0.00           C  
HETATM    9  C4  UNL     1      -1.063   2.243   0.303  1.00  0.00           C  
HETATM   10  C5  UNL     1      -1.278   0.936  -0.046  1.00  0.00           C  
HETATM   11  C6  UNL     1      -2.587   0.496  -0.123  1.00  0.00           C  
HETATM   12  C7  UNL     1      -2.888  -0.792  -0.463  1.00  0.00           C  
HETATM   13  C8  UNL     1      -1.834  -1.637  -0.728  1.00  0.00           C  
HETATM   14  O5  UNL     1      -2.101  -2.959  -1.079  1.00  0.00           O  
HETATM   15  N1  UNL     1      -0.570  -1.194  -0.648  1.00  0.00           N  
HETATM   16  C9  UNL     1      -0.244   0.067  -0.316  1.00  0.00           C  
HETATM   17  H1  UNL     1       4.813  -1.086  -0.352  1.00  0.00           H  
HETATM   18  H2  UNL     1       2.303   2.207   0.183  1.00  0.00           H  
HETATM   19  H3  UNL     1       0.482   3.701   0.649  1.00  0.00           H  
HETATM   20  H4  UNL     1      -1.906   2.886   0.505  1.00  0.00           H  
HETATM   21  H5  UNL     1      -3.409   1.193   0.094  1.00  0.00           H  
HETATM   22  H6  UNL     1      -3.929  -1.131  -0.522  1.00  0.00           H  
HETATM   23  H7  UNL     1      -2.917  -3.386  -0.678  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    3    4    5
CONECT    4   17
CONECT    5    6
CONECT    6    7    7   16
CONECT    7    8   18
CONECT    8    9    9   19
CONECT    9   10   20
CONECT   10   11   11   16
CONECT   11   12   21
CONECT   12   13   13   22
CONECT   13   14   15
CONECT   14   23
CONECT   15   16   16
END