COMPND    HMDB0240519
HETATM    1  O1  UNL     1      -3.697  -1.509   0.358  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.623  -1.533  -0.274  1.00  0.00           C  
HETATM    3  O2  UNL     1      -2.409  -2.540  -1.192  1.00  0.00           O  
HETATM    4  C2  UNL     1      -1.594  -0.526  -0.067  1.00  0.00           C  
HETATM    5  C3  UNL     1      -1.793   0.488   0.848  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.823   1.421   1.031  1.00  0.00           C  
HETATM    7  O3  UNL     1      -0.988   2.461   1.947  1.00  0.00           O  
HETATM    8  C5  UNL     1       0.353   1.354   0.306  1.00  0.00           C  
HETATM    9  O4  UNL     1       1.316   2.319   0.518  1.00  0.00           O  
HETATM   10  C6  UNL     1       0.592   0.361  -0.614  1.00  0.00           C  
HETATM   11  O5  UNL     1       1.741   0.287  -1.329  1.00  0.00           O  
HETATM   12  S1  UNL     1       3.150  -0.509  -0.935  1.00  0.00           S  
HETATM   13  O6  UNL     1       3.589  -1.298  -2.162  1.00  0.00           O  
HETATM   14  O7  UNL     1       4.295   0.420  -0.621  1.00  0.00           O  
HETATM   15  O8  UNL     1       2.986  -1.616   0.305  1.00  0.00           O  
HETATM   16  C7  UNL     1      -0.397  -0.579  -0.792  1.00  0.00           C  
HETATM   17  H1  UNL     1      -2.863  -2.536  -2.101  1.00  0.00           H  
HETATM   18  H2  UNL     1      -2.730   0.541   1.425  1.00  0.00           H  
HETATM   19  H3  UNL     1      -1.819   2.556   2.496  1.00  0.00           H  
HETATM   20  H4  UNL     1       1.193   3.062   1.176  1.00  0.00           H  
HETATM   21  H5  UNL     1       2.829  -1.214   1.175  1.00  0.00           H  
HETATM   22  H6  UNL     1      -0.307  -1.408  -1.498  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   17
CONECT    4    5    5   16
CONECT    5    6   18
CONECT    6    7    8    8
CONECT    7   19
CONECT    8    9   10
CONECT    9   20
CONECT   10   11   16   16
CONECT   11   12
CONECT   12   13   13   14   14
CONECT   12   15
CONECT   15   21
CONECT   16   22
END