COMPND    HMDB0012234
HETATM    1  N1  UNL     1       1.521   0.985   0.997  1.00  0.00           N  
HETATM    2  C1  UNL     1       1.704  -0.132   0.107  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.522   0.307  -1.314  1.00  0.00           C  
HETATM    4  O1  UNL     1       1.255   1.495  -1.541  1.00  0.00           O  
HETATM    5  C3  UNL     1       0.669  -1.221   0.426  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.688  -0.631   0.239  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.450   0.013   1.189  1.00  0.00           C  
HETATM    8  N2  UNL     1      -2.586   0.375   0.588  1.00  0.00           N  
HETATM    9  C6  UNL     1      -2.541  -0.025  -0.691  1.00  0.00           C  
HETATM   10  N3  UNL     1      -1.381  -0.642  -0.912  1.00  0.00           N  
HETATM   11  H1  UNL     1       2.066   0.902   1.885  1.00  0.00           H  
HETATM   12  H2  UNL     1       1.815   1.879   0.525  1.00  0.00           H  
HETATM   13  H3  UNL     1       2.722  -0.542   0.258  1.00  0.00           H  
HETATM   14  H4  UNL     1       1.618  -0.379  -2.131  1.00  0.00           H  
HETATM   15  H5  UNL     1       0.816  -2.084  -0.225  1.00  0.00           H  
HETATM   16  H6  UNL     1       0.797  -1.491   1.493  1.00  0.00           H  
HETATM   17  H7  UNL     1      -1.196   0.204   2.240  1.00  0.00           H  
HETATM   18  H8  UNL     1      -3.360   0.883   1.060  1.00  0.00           H  
HETATM   19  H9  UNL     1      -3.303   0.107  -1.466  1.00  0.00           H  
CONECT    1    2   11   12
CONECT    2    3    5   13
CONECT    3    4    4   14
CONECT    5    6   15   16
CONECT    6    7    7   10
CONECT    7    8   17
CONECT    8    9   18
CONECT    9   10   10   19
END