COMPND    HMDB0246706
HETATM    1  O1  UNL     1      -2.930   0.017   1.769  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.612  -0.129   0.571  1.00  0.00           C  
HETATM    3  O2  UNL     1      -3.618  -0.316  -0.352  1.00  0.00           O  
HETATM    4  C2  UNL     1      -1.192  -0.097   0.188  1.00  0.00           C  
HETATM    5  C3  UNL     1      -0.703  -0.245  -1.097  1.00  0.00           C  
HETATM    6  C4  UNL     1       0.672  -0.146  -0.971  1.00  0.00           C  
HETATM    7  S1  UNL     1       2.173  -0.168  -1.783  1.00  0.00           S  
HETATM    8  C5  UNL     1       3.219   0.077  -0.453  1.00  0.00           C  
HETATM    9  C6  UNL     1       2.345   0.170   0.599  1.00  0.00           C  
HETATM   10  C7  UNL     1       1.036   0.055   0.331  1.00  0.00           C  
HETATM   11  N1  UNL     1      -0.145   0.078   1.007  1.00  0.00           N  
HETATM   12  H1  UNL     1      -3.791   0.414  -1.032  1.00  0.00           H  
HETATM   13  H2  UNL     1      -1.269  -0.404  -2.010  1.00  0.00           H  
HETATM   14  H3  UNL     1       4.323   0.146  -0.427  1.00  0.00           H  
HETATM   15  H4  UNL     1       2.791   0.335   1.606  1.00  0.00           H  
HETATM   16  H5  UNL     1      -0.299   0.213   2.054  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   12
CONECT    4    5    5   11
CONECT    5    6   13
CONECT    6    7   10   10
CONECT    7    8
CONECT    8    9    9   14
CONECT    9   10   15
CONECT   10   11
CONECT   11   16
END