COMPND    HMDB0002210
HETATM    1  N1  UNL     1      -1.388  -0.477  -1.811  1.00  0.00           N  
HETATM    2  C1  UNL     1      -1.283  -0.473  -0.373  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.241   0.449   0.266  1.00  0.00           C  
HETATM    4  O1  UNL     1      -2.955   1.184  -0.484  1.00  0.00           O  
HETATM    5  O2  UNL     1      -2.395   0.545   1.642  1.00  0.00           O  
HETATM    6  C3  UNL     1       0.123  -0.190  -0.042  1.00  0.00           C  
HETATM    7  C4  UNL     1       0.498   0.734   0.896  1.00  0.00           C  
HETATM    8  C5  UNL     1       1.843   0.965   1.179  1.00  0.00           C  
HETATM    9  C6  UNL     1       2.822   0.271   0.524  1.00  0.00           C  
HETATM   10  C7  UNL     1       2.419  -0.647  -0.409  1.00  0.00           C  
HETATM   11  C8  UNL     1       1.096  -0.890  -0.703  1.00  0.00           C  
HETATM   12  H1  UNL     1      -1.747  -1.364  -2.194  1.00  0.00           H  
HETATM   13  H2  UNL     1      -1.744   0.381  -2.226  1.00  0.00           H  
HETATM   14  H3  UNL     1      -1.528  -1.496  -0.006  1.00  0.00           H  
HETATM   15  H4  UNL     1      -3.320   0.403   2.042  1.00  0.00           H  
HETATM   16  H5  UNL     1      -0.241   1.294   1.421  1.00  0.00           H  
HETATM   17  H6  UNL     1       2.100   1.696   1.918  1.00  0.00           H  
HETATM   18  H7  UNL     1       3.878   0.460   0.754  1.00  0.00           H  
HETATM   19  H8  UNL     1       3.207  -1.199  -0.928  1.00  0.00           H  
HETATM   20  H9  UNL     1       0.856  -1.645  -1.465  1.00  0.00           H  
CONECT    1    2   12   13
CONECT    2    3    6   14
CONECT    3    4    4    5
CONECT    5   15
CONECT    6    7    7   11
CONECT    7    8   16
CONECT    8    9    9   17
CONECT    9   10   18
CONECT   10   11   11   19
CONECT   11   20
END