COMPND    HMDB0256874
HETATM    1  O1  UNL     1      -0.194   3.151   1.289  1.00  0.00           O  
HETATM    2  C1  UNL     1      -0.702   2.577   0.318  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.056   2.926  -0.898  1.00  0.00           C  
HETATM    4  O2  UNL     1       1.316   2.263  -0.949  1.00  0.00           O  
HETATM    5  C3  UNL     1       1.704   1.055  -0.398  1.00  0.00           C  
HETATM    6  C4  UNL     1       3.064   1.062  -0.300  1.00  0.00           C  
HETATM    7  C5  UNL     1       3.704  -0.045   0.232  1.00  0.00           C  
HETATM    8  O3  UNL     1       5.090  -0.021   0.324  1.00  0.00           O  
HETATM    9  C6  UNL     1       2.960  -1.140   0.655  1.00  0.00           C  
HETATM   10  C7  UNL     1       1.587  -1.174   0.568  1.00  0.00           C  
HETATM   11  C8  UNL     1       0.976  -0.068   0.036  1.00  0.00           C  
HETATM   12  C9  UNL     1      -0.440  -0.419   0.048  1.00  0.00           C  
HETATM   13  C10 UNL     1      -0.445  -1.740  -0.284  1.00  0.00           C  
HETATM   14  C11 UNL     1      -1.656  -2.395  -0.343  1.00  0.00           C  
HETATM   15  O4  UNL     1      -1.751  -3.738  -0.670  1.00  0.00           O  
HETATM   16  C12 UNL     1      -2.838  -1.702  -0.067  1.00  0.00           C  
HETATM   17  O5  UNL     1      -4.046  -2.393  -0.135  1.00  0.00           O  
HETATM   18  C13 UNL     1      -2.793  -0.354   0.265  1.00  0.00           C  
HETATM   19  C14 UNL     1      -1.606   0.312   0.329  1.00  0.00           C  
HETATM   20  C15 UNL     1      -1.887   1.737   0.680  1.00  0.00           C  
HETATM   21  H1  UNL     1      -0.553   2.693  -1.802  1.00  0.00           H  
HETATM   22  H2  UNL     1       0.270   4.018  -0.863  1.00  0.00           H  
HETATM   23  H3  UNL     1       3.679   1.897  -0.618  1.00  0.00           H  
HETATM   24  H4  UNL     1       5.693  -0.347  -0.407  1.00  0.00           H  
HETATM   25  H5  UNL     1       3.507  -1.973   1.061  1.00  0.00           H  
HETATM   26  H6  UNL     1       0.993  -1.970   0.930  1.00  0.00           H  
HETATM   27  H7  UNL     1       0.449  -2.238  -0.540  1.00  0.00           H  
HETATM   28  H8  UNL     1      -2.651  -4.173  -0.701  1.00  0.00           H  
HETATM   29  H9  UNL     1      -4.895  -1.896   0.062  1.00  0.00           H  
HETATM   30  H10 UNL     1      -3.729   0.166   0.474  1.00  0.00           H  
HETATM   31  H11 UNL     1      -2.155   1.872   1.731  1.00  0.00           H  
HETATM   32  H12 UNL     1      -2.705   2.058  -0.027  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   20
CONECT    3    4   21   22
CONECT    4    5
CONECT    5    6    6   11
CONECT    6    7   23
CONECT    7    8    9    9
CONECT    8   24
CONECT    9   10   25
CONECT   10   11   11   26
CONECT   11   12
CONECT   12   13   13   19
CONECT   13   14   27
CONECT   14   15   16   16
CONECT   15   28
CONECT   16   17   18
CONECT   17   29
CONECT   18   19   19   30
CONECT   19   20
CONECT   20   31   32
END