COMPND    HMDB0012308
HETATM    1  C1  UNL     1      -2.270  -0.941  -1.648  1.00  0.00           C  
HETATM    2  O1  UNL     1      -1.903   0.238  -0.987  1.00  0.00           O  
HETATM    3  C2  UNL     1      -0.721   0.340  -0.282  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.169  -0.717  -0.188  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.359  -0.612   0.523  1.00  0.00           C  
HETATM    6  C5  UNL     1       2.282  -1.728   0.612  1.00  0.00           C  
HETATM    7  O2  UNL     1       3.337  -1.576   1.265  1.00  0.00           O  
HETATM    8  C6  UNL     1       1.620   0.603   1.138  1.00  0.00           C  
HETATM    9  C7  UNL     1       0.731   1.654   1.042  1.00  0.00           C  
HETATM   10  C8  UNL     1      -0.439   1.537   0.338  1.00  0.00           C  
HETATM   11  O3  UNL     1      -1.342   2.615   0.245  1.00  0.00           O  
HETATM   12  H1  UNL     1      -3.393  -0.924  -1.739  1.00  0.00           H  
HETATM   13  H2  UNL     1      -1.782  -1.064  -2.641  1.00  0.00           H  
HETATM   14  H3  UNL     1      -2.031  -1.867  -1.051  1.00  0.00           H  
HETATM   15  H4  UNL     1      -0.034  -1.665  -0.668  1.00  0.00           H  
HETATM   16  H5  UNL     1       2.031  -2.647   0.117  1.00  0.00           H  
HETATM   17  H6  UNL     1       2.548   0.682   1.691  1.00  0.00           H  
HETATM   18  H7  UNL     1       0.974   2.579   1.535  1.00  0.00           H  
HETATM   19  H8  UNL     1      -1.134   3.493   0.701  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3
CONECT    3    4    4   10
CONECT    4    5   15
CONECT    5    6    8    8
CONECT    6    7    7   16
CONECT    8    9   17
CONECT    9   10   10   18
CONECT   10   11
CONECT   11   19
END