COMPND    HMDB0061163
HETATM    1  O1  UNL     1       3.031  -1.127   0.320  1.00  0.00           O  
HETATM    2  N1  UNL     1       2.182  -0.728   1.167  1.00  0.00           N  
HETATM    3  N2  UNL     1       1.005  -0.195   0.632  1.00  0.00           N  
HETATM    4  C1  UNL     1       0.918   1.005  -0.179  1.00  0.00           C  
HETATM    5  C2  UNL     1      -0.341   0.690  -1.002  1.00  0.00           C  
HETATM    6  C3  UNL     1      -1.219   0.110   0.078  1.00  0.00           C  
HETATM    7  O2  UNL     1      -2.359  -0.485  -0.384  1.00  0.00           O  
HETATM    8  C4  UNL     1      -0.291  -0.784   0.825  1.00  0.00           C  
HETATM    9  H1  UNL     1       1.777   1.171  -0.823  1.00  0.00           H  
HETATM   10  H2  UNL     1       0.655   1.892   0.430  1.00  0.00           H  
HETATM   11  H3  UNL     1      -0.021  -0.093  -1.726  1.00  0.00           H  
HETATM   12  H4  UNL     1      -0.748   1.585  -1.474  1.00  0.00           H  
HETATM   13  H5  UNL     1      -1.533   0.979   0.722  1.00  0.00           H  
HETATM   14  H6  UNL     1      -2.235  -1.332  -0.849  1.00  0.00           H  
HETATM   15  H7  UNL     1      -0.268  -1.796   0.351  1.00  0.00           H  
HETATM   16  H8  UNL     1      -0.552  -0.892   1.911  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3
CONECT    3    4    8
CONECT    4    5    9   10
CONECT    5    6   11   12
CONECT    6    7    8   13
CONECT    7   14
CONECT    8   15   16
END