COMPND    HMDB0240651
HETATM    1  O1  UNL     1       4.135   0.780  -2.225  1.00  0.00           O  
HETATM    2  S1  UNL     1       2.792   0.084  -2.335  1.00  0.00           S  
HETATM    3  O2  UNL     1       2.637  -0.368  -3.759  1.00  0.00           O  
HETATM    4  O3  UNL     1       2.894  -1.298  -1.382  1.00  0.00           O  
HETATM    5  O4  UNL     1       1.529   1.022  -1.794  1.00  0.00           O  
HETATM    6  C1  UNL     1       0.666   0.739  -0.763  1.00  0.00           C  
HETATM    7  C2  UNL     1       1.003   1.162   0.506  1.00  0.00           C  
HETATM    8  C3  UNL     1       0.180   0.912   1.591  1.00  0.00           C  
HETATM    9  C4  UNL     1      -1.011   0.226   1.433  1.00  0.00           C  
HETATM   10  C5  UNL     1      -2.010  -0.162   2.302  1.00  0.00           C  
HETATM   11  C6  UNL     1      -2.976  -0.829   1.577  1.00  0.00           C  
HETATM   12  N1  UNL     1      -2.548  -0.832   0.302  1.00  0.00           N  
HETATM   13  C7  UNL     1      -1.370  -0.207   0.173  1.00  0.00           C  
HETATM   14  C8  UNL     1      -0.520   0.060  -0.902  1.00  0.00           C  
HETATM   15  H1  UNL     1       2.012  -1.459  -0.943  1.00  0.00           H  
HETATM   16  H2  UNL     1       1.942   1.706   0.647  1.00  0.00           H  
HETATM   17  H3  UNL     1       0.421   1.233   2.596  1.00  0.00           H  
HETATM   18  H4  UNL     1      -2.026   0.029   3.367  1.00  0.00           H  
HETATM   19  H5  UNL     1      -3.897  -1.261   1.980  1.00  0.00           H  
HETATM   20  H6  UNL     1      -3.054  -1.261  -0.497  1.00  0.00           H  
HETATM   21  H7  UNL     1      -0.800  -0.276  -1.873  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    3    4    5
CONECT    4   15
CONECT    5    6
CONECT    6    7    7   14
CONECT    7    8   16
CONECT    8    9    9   17
CONECT    9   10   13
CONECT   10   11   11   18
CONECT   11   12   19
CONECT   12   13   20
CONECT   13   14   14
CONECT   14   21
END