COMPND    HMDB0000992
HETATM    1  O1  UNL     1       3.404  -1.093   1.399  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.474  -0.193   0.532  1.00  0.00           C  
HETATM    3  O2  UNL     1       4.639   0.563   0.422  1.00  0.00           O  
HETATM    4  C2  UNL     1       2.317   0.051  -0.359  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.160  -0.880   0.034  1.00  0.00           C  
HETATM    6  C4  UNL     1       0.051  -0.592  -0.867  1.00  0.00           C  
HETATM    7  O3  UNL     1       0.218  -0.721  -2.132  1.00  0.00           O  
HETATM    8  C5  UNL     1      -1.252  -0.161  -0.412  1.00  0.00           C  
HETATM    9  C6  UNL     1      -2.253   0.070  -1.371  1.00  0.00           C  
HETATM   10  C7  UNL     1      -3.500   0.490  -0.993  1.00  0.00           C  
HETATM   11  C8  UNL     1      -3.713   0.670   0.359  1.00  0.00           C  
HETATM   12  N1  UNL     1      -2.757   0.448   1.268  1.00  0.00           N  
HETATM   13  C9  UNL     1      -1.515   0.032   0.923  1.00  0.00           C  
HETATM   14  H1  UNL     1       4.567   1.543   0.121  1.00  0.00           H  
HETATM   15  H2  UNL     1       2.520  -0.156  -1.417  1.00  0.00           H  
HETATM   16  H3  UNL     1       1.971   1.099  -0.173  1.00  0.00           H  
HETATM   17  H4  UNL     1       0.945  -0.722   1.072  1.00  0.00           H  
HETATM   18  H5  UNL     1       1.566  -1.918  -0.093  1.00  0.00           H  
HETATM   19  H6  UNL     1      -2.055  -0.081  -2.441  1.00  0.00           H  
HETATM   20  H7  UNL     1      -4.305   0.678  -1.721  1.00  0.00           H  
HETATM   21  H8  UNL     1      -4.720   1.010   0.650  1.00  0.00           H  
HETATM   22  H9  UNL     1      -0.763  -0.136   1.708  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   14
CONECT    4    5   15   16
CONECT    5    6   17   18
CONECT    6    7    7    8
CONECT    8    9    9   13
CONECT    9   10   19
CONECT   10   11   11   20
CONECT   11   12   21
CONECT   12   13   13
CONECT   13   22
END