COMPND    HMDB0252233
HETATM    1  C1  UNL     1       5.747  -0.525   0.982  1.00  0.00           C  
HETATM    2  C2  UNL     1       5.339   0.797   1.079  1.00  0.00           C  
HETATM    3  C3  UNL     1       4.006   1.139   0.914  1.00  0.00           C  
HETATM    4  C4  UNL     1       3.071   0.184   0.653  1.00  0.00           C  
HETATM    5  C5  UNL     1       1.651   0.488   0.469  1.00  0.00           C  
HETATM    6  N1  UNL     1       1.195   1.754   0.551  1.00  0.00           N  
HETATM    7  N2  UNL     1      -0.091   2.016   0.383  1.00  0.00           N  
HETATM    8  C6  UNL     1      -1.022   1.081   0.125  1.00  0.00           C  
HETATM    9  C7  UNL     1      -2.437   1.384  -0.059  1.00  0.00           C  
HETATM   10  C8  UNL     1      -2.938   2.213  -1.062  1.00  0.00           C  
HETATM   11  C9  UNL     1      -4.318   2.263  -0.923  1.00  0.00           C  
HETATM   12  C10 UNL     1      -4.590   1.456   0.167  1.00  0.00           C  
HETATM   13  O1  UNL     1      -3.461   0.977   0.623  1.00  0.00           O  
HETATM   14  C11 UNL     1      -0.558  -0.224   0.039  1.00  0.00           C  
HETATM   15  C12 UNL     1      -1.531  -1.257  -0.239  1.00  0.00           C  
HETATM   16  C13 UNL     1      -1.502  -2.073  -1.348  1.00  0.00           C  
HETATM   17  C14 UNL     1      -2.570  -2.930  -1.290  1.00  0.00           C  
HETATM   18  C15 UNL     1      -3.228  -2.592  -0.110  1.00  0.00           C  
HETATM   19  O2  UNL     1      -2.578  -1.610   0.460  1.00  0.00           O  
HETATM   20  N3  UNL     1       0.760  -0.484   0.212  1.00  0.00           N  
HETATM   21  N4  UNL     1       3.479  -1.094   0.561  1.00  0.00           N  
HETATM   22  C16 UNL     1       4.753  -1.449   0.716  1.00  0.00           C  
HETATM   23  H1  UNL     1       6.790  -0.784   1.113  1.00  0.00           H  
HETATM   24  H2  UNL     1       6.025   1.599   1.283  1.00  0.00           H  
HETATM   25  H3  UNL     1       3.670   2.177   0.987  1.00  0.00           H  
HETATM   26  H4  UNL     1      -2.340   2.723  -1.815  1.00  0.00           H  
HETATM   27  H5  UNL     1      -5.022   2.823  -1.548  1.00  0.00           H  
HETATM   28  H6  UNL     1      -5.596   1.293   0.529  1.00  0.00           H  
HETATM   29  H7  UNL     1      -0.785  -2.094  -2.176  1.00  0.00           H  
HETATM   30  H8  UNL     1      -2.864  -3.704  -1.983  1.00  0.00           H  
HETATM   31  H9  UNL     1      -4.122  -3.062   0.264  1.00  0.00           H  
HETATM   32  H10 UNL     1       5.065  -2.482   0.639  1.00  0.00           H  
CONECT    1    2    2   22   23
CONECT    2    3   24
CONECT    3    4    4   25
CONECT    4    5   21
CONECT    5    6    6   20
CONECT    6    7
CONECT    7    8    8
CONECT    8    9   14
CONECT    9   10   10   13
CONECT   10   11   26
CONECT   11   12   12   27
CONECT   12   13   28
CONECT   14   15   20   20
CONECT   15   16   16   19
CONECT   16   17   29
CONECT   17   18   18   30
CONECT   18   19   31
CONECT   21   22   22
CONECT   22   32
END