COMPND    HMDB0031420
HETATM    1  C1  UNL     1      -1.828   2.622   0.673  1.00  0.00           C  
HETATM    2  O1  UNL     1      -2.522   1.451   1.062  1.00  0.00           O  
HETATM    3  C2  UNL     1      -2.406   0.328   0.286  1.00  0.00           C  
HETATM    4  C3  UNL     1      -3.336   0.170  -0.742  1.00  0.00           C  
HETATM    5  O2  UNL     1      -4.330   1.107  -0.964  1.00  0.00           O  
HETATM    6  C4  UNL     1      -3.275  -0.935  -1.558  1.00  0.00           C  
HETATM    7  C5  UNL     1      -2.278  -1.889  -1.346  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.360  -1.744  -0.340  1.00  0.00           C  
HETATM    9  C7  UNL     1      -1.422  -0.632   0.480  1.00  0.00           C  
HETATM   10  O3  UNL     1      -0.499  -0.476   1.499  1.00  0.00           O  
HETATM   11  C8  UNL     1       0.763  -1.112   1.510  1.00  0.00           C  
HETATM   12  C9  UNL     1       1.693  -0.301   0.738  1.00  0.00           C  
HETATM   13  C10 UNL     1       2.579  -0.787  -0.194  1.00  0.00           C  
HETATM   14  C11 UNL     1       3.439   0.068  -0.892  1.00  0.00           C  
HETATM   15  C12 UNL     1       3.416   1.420  -0.660  1.00  0.00           C  
HETATM   16  O4  UNL     1       4.285   2.260  -1.369  1.00  0.00           O  
HETATM   17  C13 UNL     1       2.541   1.920   0.263  1.00  0.00           C  
HETATM   18  C14 UNL     1       1.697   1.066   0.946  1.00  0.00           C  
HETATM   19  C15 UNL     1       0.613  -2.528   1.064  1.00  0.00           C  
HETATM   20  C16 UNL     1      -0.301  -2.703  -0.073  1.00  0.00           C  
HETATM   21  O5  UNL     1      -0.158  -3.700  -0.818  1.00  0.00           O  
HETATM   22  H1  UNL     1      -2.375   3.129  -0.144  1.00  0.00           H  
HETATM   23  H2  UNL     1      -0.823   2.340   0.288  1.00  0.00           H  
HETATM   24  H3  UNL     1      -1.741   3.329   1.548  1.00  0.00           H  
HETATM   25  H4  UNL     1      -4.438   1.935  -0.413  1.00  0.00           H  
HETATM   26  H5  UNL     1      -3.970  -1.095  -2.360  1.00  0.00           H  
HETATM   27  H6  UNL     1      -2.207  -2.760  -1.967  1.00  0.00           H  
HETATM   28  H7  UNL     1       1.101  -1.123   2.569  1.00  0.00           H  
HETATM   29  H8  UNL     1       2.598  -1.833  -0.376  1.00  0.00           H  
HETATM   30  H9  UNL     1       4.127  -0.320  -1.617  1.00  0.00           H  
HETATM   31  H10 UNL     1       5.195   2.416  -0.925  1.00  0.00           H  
HETATM   32  H11 UNL     1       2.515   2.999   0.456  1.00  0.00           H  
HETATM   33  H12 UNL     1       1.025   1.512   1.665  1.00  0.00           H  
HETATM   34  H13 UNL     1       1.545  -3.054   0.865  1.00  0.00           H  
HETATM   35  H14 UNL     1       0.137  -3.082   1.930  1.00  0.00           H  
CONECT    1    2   22   23   24
CONECT    2    3
CONECT    3    4    4    9
CONECT    4    5    6
CONECT    5   25
CONECT    6    7    7   26
CONECT    7    8   27
CONECT    8    9    9   20
CONECT    9   10
CONECT   10   11
CONECT   11   12   19   28
CONECT   12   13   13   18
CONECT   13   14   29
CONECT   14   15   15   30
CONECT   15   16   17
CONECT   16   31
CONECT   17   18   18   32
CONECT   18   33
CONECT   19   20   34   35
CONECT   20   21   21
END