COMPND    HMDB0031822
HETATM    1  O1  UNL     1      -3.857   0.497  -1.663  1.00  0.00           O  
HETATM    2  N1  UNL     1      -3.428  -0.030  -0.622  1.00  0.00           N1+
HETATM    3  O2  UNL     1      -4.304  -0.648   0.231  1.00  0.00           O1-
HETATM    4  C1  UNL     1      -2.030   0.010  -0.319  1.00  0.00           C  
HETATM    5  C2  UNL     1      -1.162   0.639  -1.193  1.00  0.00           C  
HETATM    6  C3  UNL     1       0.192   0.688  -0.918  1.00  0.00           C  
HETATM    7  C4  UNL     1       0.706   0.115   0.227  1.00  0.00           C  
HETATM    8 AS1  UNL     1       2.594   0.180   0.617  1.00  0.00          AS  
HETATM    9  O3  UNL     1       2.921  -0.847   1.878  1.00  0.00           O  
HETATM   10  O4  UNL     1       3.616  -0.370  -0.803  1.00  0.00           O  
HETATM   11  O5  UNL     1       3.103   1.873   1.188  1.00  0.00           O  
HETATM   12  C5  UNL     1      -0.167  -0.504   1.082  1.00  0.00           C  
HETATM   13  C6  UNL     1      -1.535  -0.567   0.829  1.00  0.00           C  
HETATM   14  H1  UNL     1      -1.527   1.094  -2.091  1.00  0.00           H  
HETATM   15  H2  UNL     1       0.845   1.186  -1.620  1.00  0.00           H  
HETATM   16  H3  UNL     1       3.761   0.340  -1.461  1.00  0.00           H  
HETATM   17  H4  UNL     1       2.316   2.438   1.128  1.00  0.00           H  
HETATM   18  H5  UNL     1       0.173  -0.970   1.993  1.00  0.00           H  
HETATM   19  H6  UNL     1      -2.217  -1.061   1.516  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    4    5    5   13
CONECT    5    6   14
CONECT    6    7    7   15
CONECT    7    8   12
CONECT    8    9    9   10   11
CONECT   10   16
CONECT   11   17
CONECT   12   13   13   18
CONECT   13   19
END