COMPND    HMDB0254052
HETATM    1  C1  UNL     1      -3.323   0.239  -0.892  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.289   0.482   0.168  1.00  0.00           C  
HETATM    3  C3  UNL     1      -2.644   1.256   1.247  1.00  0.00           C  
HETATM    4  C4  UNL     1      -1.682   1.467   2.207  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.427   0.914   2.071  1.00  0.00           C  
HETATM    6  C6  UNL     1      -0.067   0.122   0.966  1.00  0.00           C  
HETATM    7  C7  UNL     1       1.267  -0.461   0.830  1.00  0.00           C  
HETATM    8  C8  UNL     1       1.339  -1.956   0.903  1.00  0.00           C  
HETATM    9  C9  UNL     1       2.079   0.119  -0.287  1.00  0.00           C  
HETATM   10  C10 UNL     1       2.692   1.354  -0.247  1.00  0.00           C  
HETATM   11  N1  UNL     1       3.330   1.532  -1.406  1.00  0.00           N  
HETATM   12  C11 UNL     1       3.128   0.451  -2.151  1.00  0.00           C  
HETATM   13  N2  UNL     1       2.371  -0.407  -1.478  1.00  0.00           N  
HETATM   14  C12 UNL     1      -1.021  -0.086   0.014  1.00  0.00           C  
HETATM   15  C13 UNL     1      -0.773  -0.880  -1.174  1.00  0.00           C  
HETATM   16  H1  UNL     1      -4.192   0.913  -0.753  1.00  0.00           H  
HETATM   17  H2  UNL     1      -2.877   0.408  -1.912  1.00  0.00           H  
HETATM   18  H3  UNL     1      -3.691  -0.801  -0.863  1.00  0.00           H  
HETATM   19  H4  UNL     1      -3.644   1.661   1.295  1.00  0.00           H  
HETATM   20  H5  UNL     1      -1.938   2.075   3.068  1.00  0.00           H  
HETATM   21  H6  UNL     1       0.330   1.080   2.827  1.00  0.00           H  
HETATM   22  H7  UNL     1       1.835  -0.119   1.758  1.00  0.00           H  
HETATM   23  H8  UNL     1       1.839  -2.421   0.006  1.00  0.00           H  
HETATM   24  H9  UNL     1       0.355  -2.403   1.135  1.00  0.00           H  
HETATM   25  H10 UNL     1       1.998  -2.332   1.747  1.00  0.00           H  
HETATM   26  H11 UNL     1       2.683   2.082   0.563  1.00  0.00           H  
HETATM   27  H12 UNL     1       3.551   0.341  -3.165  1.00  0.00           H  
HETATM   28  H13 UNL     1       2.060  -1.346  -1.831  1.00  0.00           H  
HETATM   29  H14 UNL     1      -0.354  -0.249  -2.012  1.00  0.00           H  
HETATM   30  H15 UNL     1      -1.777  -1.270  -1.540  1.00  0.00           H  
HETATM   31  H16 UNL     1      -0.159  -1.764  -1.094  1.00  0.00           H  
CONECT    1    2   16   17   18
CONECT    2    3    3   14
CONECT    3    4   19
CONECT    4    5    5   20
CONECT    5    6   21
CONECT    6    7   14   14
CONECT    7    8    9   22
CONECT    8   23   24   25
CONECT    9   10   10   13
CONECT   10   11   26
CONECT   11   12   12
CONECT   12   13   27
CONECT   13   28
CONECT   14   15
CONECT   15   29   30   31
END