COMPND    HMDB0245255
HETATM    1  O1  UNL     1       2.560   1.005   0.589  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.010   0.018   0.116  1.00  0.00           C  
HETATM    3  O2  UNL     1       2.849  -1.029  -0.272  1.00  0.00           O  
HETATM    4  C2  UNL     1       0.577  -0.119  -0.057  1.00  0.00           C  
HETATM    5  C3  UNL     1       0.064  -1.336  -0.551  1.00  0.00           C  
HETATM    6  C4  UNL     1      -1.273  -1.584  -0.717  1.00  0.00           C  
HETATM    7  C5  UNL     1      -2.206  -0.622  -0.398  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.731   0.560   0.080  1.00  0.00           C  
HETATM    9  C7  UNL     1      -0.348   0.837   0.259  1.00  0.00           C  
HETATM   10  N1  UNL     1      -0.001   2.104   0.767  1.00  0.00           N1+
HETATM   11  O3  UNL     1      -0.849   2.635   1.557  1.00  0.00           O  
HETATM   12  O4  UNL     1       1.104   2.828   0.537  1.00  0.00           O1-
HETATM   13  H1  UNL     1       3.750  -1.175   0.188  1.00  0.00           H  
HETATM   14  H2  UNL     1       0.817  -2.090  -0.800  1.00  0.00           H  
HETATM   15  H3  UNL     1      -1.621  -2.551  -1.108  1.00  0.00           H  
HETATM   16  H4  UNL     1      -3.270  -0.818  -0.532  1.00  0.00           H  
HETATM   17  H5  UNL     1      -2.432   1.336   0.341  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   13
CONECT    4    5    5    9
CONECT    5    6   14
CONECT    6    7    7   15
CONECT    7    8   16
CONECT    8    9    9   17
CONECT    9   10
CONECT   10   11   11   12
END