COMPND    HMDB0245816
HETATM    1  N1  UNL     1       2.284   0.301  -0.124  1.00  0.00           N  
HETATM    2  C1  UNL     1       0.927  -0.117  -0.102  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.611  -1.436  -0.358  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.699  -1.865  -0.343  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.690  -0.922  -0.060  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.380   0.402   0.198  1.00  0.00           C  
HETATM    7  O1  UNL     1      -2.427   1.284   0.473  1.00  0.00           O  
HETATM    8  C6  UNL     1      -0.058   0.800   0.175  1.00  0.00           C  
HETATM    9  O2  UNL     1       0.257   2.107   0.429  1.00  0.00           O  
HETATM   10  H1  UNL     1       2.634   0.981  -0.818  1.00  0.00           H  
HETATM   11  H2  UNL     1       2.932  -0.081   0.568  1.00  0.00           H  
HETATM   12  H3  UNL     1       1.417  -2.127  -0.572  1.00  0.00           H  
HETATM   13  H4  UNL     1      -0.970  -2.887  -0.539  1.00  0.00           H  
HETATM   14  H5  UNL     1      -2.725  -1.215  -0.038  1.00  0.00           H  
HETATM   15  H6  UNL     1      -2.270   2.256   0.668  1.00  0.00           H  
HETATM   16  H7  UNL     1       1.156   2.517   0.443  1.00  0.00           H  
CONECT    1    2   10   11
CONECT    2    3    3    8
CONECT    3    4   12
CONECT    4    5    5   13
CONECT    5    6   14
CONECT    6    7    8    8
CONECT    7   15
CONECT    8    9
CONECT    9   16
END