COMPND    HMDB0003157
HETATM    1  N1  UNL     1       2.352   1.224  -0.727  1.00  0.00           N  
HETATM    2  C1  UNL     1       1.989   0.355   0.080  1.00  0.00           C  
HETATM    3  N2  UNL     1       2.887  -0.508   0.756  1.00  0.00           N  
HETATM    4  N3  UNL     1       0.575   0.228   0.366  1.00  0.00           N  
HETATM    5  C2  UNL     1      -0.339  -0.441  -0.443  1.00  0.00           C  
HETATM    6  C3  UNL     1      -1.785  -0.321  -0.158  1.00  0.00           C  
HETATM    7  C4  UNL     1      -2.291  -0.739   1.136  1.00  0.00           C  
HETATM    8  O1  UNL     1      -2.906  -1.806   1.284  1.00  0.00           O  
HETATM    9  O2  UNL     1      -2.078   0.053   2.236  1.00  0.00           O  
HETATM   10  C5  UNL     1      -0.176   0.165  -1.838  1.00  0.00           C  
HETATM   11  O3  UNL     1       0.193  -0.438  -2.785  1.00  0.00           O  
HETATM   12  O4  UNL     1      -0.511   1.511  -1.835  1.00  0.00           O  
HETATM   13  H1  UNL     1       3.154   1.571  -1.132  1.00  0.00           H  
HETATM   14  H2  UNL     1       2.746  -0.697   1.765  1.00  0.00           H  
HETATM   15  H3  UNL     1       3.698  -0.959   0.294  1.00  0.00           H  
HETATM   16  H4  UNL     1       0.318   0.739   1.277  1.00  0.00           H  
HETATM   17  H5  UNL     1      -0.084  -1.535  -0.531  1.00  0.00           H  
HETATM   18  H6  UNL     1      -2.295  -0.900  -1.008  1.00  0.00           H  
HETATM   19  H7  UNL     1      -2.158   0.724  -0.349  1.00  0.00           H  
HETATM   20  H8  UNL     1      -1.973  -0.204   3.184  1.00  0.00           H  
HETATM   21  H9  UNL     1      -1.316   1.979  -1.574  1.00  0.00           H  
CONECT    1    2    2   13
CONECT    2    3    4
CONECT    3   14   15
CONECT    4    5   16
CONECT    5    6   10   17
CONECT    6    7   18   19
CONECT    7    8    8    9
CONECT    9   20
CONECT   10   11   11   12
CONECT   12   21
END