COMPND    HMDB0029873
HETATM    1  O1  UNL     1       3.489  -1.000   0.190  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.684  -0.041   0.075  1.00  0.00           C  
HETATM    3  O2  UNL     1       3.223   1.176  -0.320  1.00  0.00           O  
HETATM    4  C2  UNL     1       1.235  -0.121   0.327  1.00  0.00           C  
HETATM    5  C3  UNL     1       0.430   0.346  -0.881  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.959   0.513  -0.389  1.00  0.00           C  
HETATM    7  N1  UNL     1      -1.926   1.460  -0.420  1.00  0.00           N  
HETATM    8  C5  UNL     1      -3.011   1.012   0.226  1.00  0.00           C  
HETATM    9  N2  UNL     1      -2.746  -0.222   0.674  1.00  0.00           N  
HETATM   10  C6  UNL     1      -1.475  -0.562   0.307  1.00  0.00           C  
HETATM   11  C7  UNL     1      -0.581  -1.727   0.466  1.00  0.00           C  
HETATM   12  N3  UNL     1       0.785  -1.413   0.727  1.00  0.00           N  
HETATM   13  H1  UNL     1       3.028   1.613  -1.215  1.00  0.00           H  
HETATM   14  H2  UNL     1       0.950   0.595   1.153  1.00  0.00           H  
HETATM   15  H3  UNL     1       0.417  -0.514  -1.597  1.00  0.00           H  
HETATM   16  H4  UNL     1       0.846   1.260  -1.329  1.00  0.00           H  
HETATM   17  H5  UNL     1      -1.766   2.379  -0.900  1.00  0.00           H  
HETATM   18  H6  UNL     1      -3.923   1.546   0.359  1.00  0.00           H  
HETATM   19  H7  UNL     1      -0.694  -2.347  -0.472  1.00  0.00           H  
HETATM   20  H8  UNL     1      -0.988  -2.370   1.279  1.00  0.00           H  
HETATM   21  H9  UNL     1       0.983  -1.582   1.739  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   13
CONECT    4    5   12   14
CONECT    5    6   15   16
CONECT    6    7   10   10
CONECT    7    8   17
CONECT    8    9    9   18
CONECT    9   10
CONECT   10   11
CONECT   11   12   19   20
CONECT   12   21
END