COMPND    HMDB0014766
HETATM    1  O1  UNL     1      -1.286  -1.670   1.714  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.031  -2.021   0.756  1.00  0.00           C  
HETATM    3  O2  UNL     1      -3.341  -2.441   1.046  1.00  0.00           O  
HETATM    4  C2  UNL     1      -1.599  -2.014  -0.662  1.00  0.00           C  
HETATM    5  N1  UNL     1      -0.214  -1.540  -0.663  1.00  0.00           N  
HETATM    6  C3  UNL     1       0.266  -0.380  -0.343  1.00  0.00           C  
HETATM    7  C4  UNL     1       1.698  -0.238  -0.466  1.00  0.00           C  
HETATM    8  C5  UNL     1       2.442   0.901  -0.342  1.00  0.00           C  
HETATM    9  C6  UNL     1       3.816   0.845  -0.393  1.00  0.00           C  
HETATM   10  C7  UNL     1       4.493  -0.340  -0.572  1.00  0.00           C  
HETATM   11  C8  UNL     1       3.760  -1.503  -0.703  1.00  0.00           C  
HETATM   12  C9  UNL     1       2.410  -1.443  -0.650  1.00  0.00           C  
HETATM   13  C10 UNL     1      -0.540   0.693   0.198  1.00  0.00           C  
HETATM   14  C11 UNL     1       0.135   1.402   1.167  1.00  0.00           C  
HETATM   15  C12 UNL     1      -0.534   2.489   1.709  1.00  0.00           C  
HETATM   16 CL1  UNL     1       0.283   3.432   2.931  1.00  0.00          CL  
HETATM   17  C13 UNL     1      -1.804   2.870   1.332  1.00  0.00           C  
HETATM   18  C14 UNL     1      -2.450   2.124   0.357  1.00  0.00           C  
HETATM   19  C15 UNL     1      -1.820   1.054  -0.193  1.00  0.00           C  
HETATM   20  N2  UNL     1      -2.666   0.327  -1.114  1.00  0.00           N  
HETATM   21  C16 UNL     1      -2.505  -1.062  -1.389  1.00  0.00           C  
HETATM   22  O3  UNL     1      -3.188  -1.543  -2.334  1.00  0.00           O  
HETATM   23  H1  UNL     1      -3.656  -3.340   0.728  1.00  0.00           H  
HETATM   24  H2  UNL     1      -1.656  -3.021  -1.103  1.00  0.00           H  
HETATM   25  H3  UNL     1       1.945   1.860  -0.265  1.00  0.00           H  
HETATM   26  H4  UNL     1       4.420   1.755  -0.292  1.00  0.00           H  
HETATM   27  H5  UNL     1       5.558  -0.404  -0.615  1.00  0.00           H  
HETATM   28  H6  UNL     1       4.244  -2.472  -0.848  1.00  0.00           H  
HETATM   29  H7  UNL     1       1.870  -2.392  -0.758  1.00  0.00           H  
HETATM   30  H8  UNL     1       1.106   1.068   1.504  1.00  0.00           H  
HETATM   31  H9  UNL     1      -2.310   3.724   1.767  1.00  0.00           H  
HETATM   32  H10 UNL     1      -3.438   2.416   0.059  1.00  0.00           H  
HETATM   33  H11 UNL     1      -3.409   0.861  -1.564  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   23
CONECT    4    5   21   24
CONECT    5    6    6
CONECT    6    7   13
CONECT    7    8    8   12
CONECT    8    9   25
CONECT    9   10   10   26
CONECT   10   11   27
CONECT   11   12   12   28
CONECT   12   29
CONECT   13   14   14   19
CONECT   14   15   30
CONECT   15   16   17   17
CONECT   17   18   31
CONECT   18   19   19   32
CONECT   19   20
CONECT   20   21   33
CONECT   21   22   22
END