COMPND    HMDB0254739
HETATM    1  O1  UNL     1      -3.921  -1.775   0.533  1.00  0.00           O  
HETATM    2  P1  UNL     1      -2.454  -2.069   0.440  1.00  0.00           P  
HETATM    3  O2  UNL     1      -1.854  -2.277   2.011  1.00  0.00           O  
HETATM    4  O3  UNL     1      -2.127  -3.482  -0.420  1.00  0.00           O  
HETATM    5  C1  UNL     1      -1.609  -0.635  -0.339  1.00  0.00           C  
HETATM    6  O4  UNL     1      -1.836  -0.705  -1.682  1.00  0.00           O  
HETATM    7  C2  UNL     1      -0.177  -0.725   0.067  1.00  0.00           C  
HETATM    8  C3  UNL     1       0.688   0.336  -0.456  1.00  0.00           C  
HETATM    9  C4  UNL     1       0.380   1.402  -1.275  1.00  0.00           C  
HETATM   10  N1  UNL     1       1.525   2.078  -1.458  1.00  0.00           N  
HETATM   11  C5  UNL     1       2.532   1.459  -0.774  1.00  0.00           C  
HETATM   12  C6  UNL     1       3.880   1.757  -0.644  1.00  0.00           C  
HETATM   13  C7  UNL     1       4.707   0.964   0.116  1.00  0.00           C  
HETATM   14  C8  UNL     1       4.160  -0.120   0.733  1.00  0.00           C  
HETATM   15  C9  UNL     1       2.827  -0.395   0.590  1.00  0.00           C  
HETATM   16  N2  UNL     1       2.003   0.387  -0.162  1.00  0.00           N  
HETATM   17  P2  UNL     1      -2.396   0.843   0.352  1.00  0.00           P  
HETATM   18  O5  UNL     1      -1.386   1.795   0.942  1.00  0.00           O  
HETATM   19  O6  UNL     1      -3.519   0.469   1.534  1.00  0.00           O  
HETATM   20  O7  UNL     1      -3.239   1.642  -0.899  1.00  0.00           O  
HETATM   21  H1  UNL     1      -1.892  -1.444   2.544  1.00  0.00           H  
HETATM   22  H2  UNL     1      -2.139  -3.236  -1.385  1.00  0.00           H  
HETATM   23  H3  UNL     1      -2.409   0.057  -1.974  1.00  0.00           H  
HETATM   24  H4  UNL     1      -0.148  -0.647   1.189  1.00  0.00           H  
HETATM   25  H5  UNL     1       0.288  -1.701  -0.170  1.00  0.00           H  
HETATM   26  H6  UNL     1      -0.607   1.633  -1.685  1.00  0.00           H  
HETATM   27  H7  UNL     1       4.288   2.621  -1.143  1.00  0.00           H  
HETATM   28  H8  UNL     1       5.768   1.185   0.228  1.00  0.00           H  
HETATM   29  H9  UNL     1       4.743  -0.799   1.351  1.00  0.00           H  
HETATM   30  H10 UNL     1       2.374  -1.270   1.085  1.00  0.00           H  
HETATM   31  H11 UNL     1      -4.455   0.515   1.242  1.00  0.00           H  
HETATM   32  H12 UNL     1      -3.994   2.140  -0.492  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4    5
CONECT    3   21
CONECT    4   22
CONECT    5    6    7   17
CONECT    6   23
CONECT    7    8   24   25
CONECT    8    9    9   16
CONECT    9   10   26
CONECT   10   11   11
CONECT   11   12   16
CONECT   12   13   13   27
CONECT   13   14   28
CONECT   14   15   15   29
CONECT   15   16   30
CONECT   17   18   18   19   20
CONECT   19   31
CONECT   20   32
END