COMPND    HMDB0012225
HETATM    1  O1  UNL     1       3.759  -0.128  -0.561  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.170   0.583   0.279  1.00  0.00           C  
HETATM    3  O2  UNL     1       3.925   1.437   1.063  1.00  0.00           O  
HETATM    4  C2  UNL     1       1.721   0.528   0.444  1.00  0.00           C  
HETATM    5  O3  UNL     1       1.079   1.317   1.378  1.00  0.00           O  
HETATM    6  C3  UNL     1       1.027  -0.280  -0.304  1.00  0.00           C  
HETATM    7  C4  UNL     1      -0.411  -0.345  -0.135  1.00  0.00           C  
HETATM    8  C5  UNL     1      -1.261   0.721  -0.041  1.00  0.00           C  
HETATM    9  C6  UNL     1      -2.634   0.561   0.139  1.00  0.00           C  
HETATM   10  C7  UNL     1      -3.192  -0.691   0.232  1.00  0.00           C  
HETATM   11  C8  UNL     1      -2.330  -1.783   0.136  1.00  0.00           C  
HETATM   12  C9  UNL     1      -0.975  -1.610  -0.045  1.00  0.00           C  
HETATM   13  H1  UNL     1       4.841   1.197   1.430  1.00  0.00           H  
HETATM   14  H2  UNL     1       1.279   2.316   1.370  1.00  0.00           H  
HETATM   15  H3  UNL     1       1.508  -0.923  -1.064  1.00  0.00           H  
HETATM   16  H4  UNL     1      -0.835   1.710  -0.113  1.00  0.00           H  
HETATM   17  H5  UNL     1      -3.289   1.436   0.220  1.00  0.00           H  
HETATM   18  H6  UNL     1      -4.259  -0.781   0.379  1.00  0.00           H  
HETATM   19  H7  UNL     1      -2.767  -2.756   0.209  1.00  0.00           H  
HETATM   20  H8  UNL     1      -0.358  -2.510  -0.111  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   13
CONECT    4    5    6    6
CONECT    5   14
CONECT    6    7   15
CONECT    7    8    8   12
CONECT    8    9   16
CONECT    9   10   10   17
CONECT   10   11   18
CONECT   11   12   12   19
CONECT   12   20
END