COMPND    HMDB0038911
HETATM    1  C1  UNL     1       9.476  -0.150  -0.751  1.00  0.00           C  
HETATM    2  C2  UNL     1       8.035   0.006  -0.452  1.00  0.00           C  
HETATM    3  C3  UNL     1       6.854   0.119  -0.222  1.00  0.00           C  
HETATM    4  C4  UNL     1       5.467   0.240   0.027  1.00  0.00           C  
HETATM    5  C5  UNL     1       4.278   0.338   0.219  1.00  0.00           C  
HETATM    6  C6  UNL     1       2.882   0.435   0.428  1.00  0.00           C  
HETATM    7  C7  UNL     1       1.688   0.510   0.587  1.00  0.00           C  
HETATM    8  C8  UNL     1       0.286   0.584   0.753  1.00  0.00           C  
HETATM    9  C9  UNL     1      -0.913   0.637   0.876  1.00  0.00           C  
HETATM   10  C10 UNL     1      -2.370   0.694   1.002  1.00  0.00           C  
HETATM   11  O1  UNL     1      -2.759   0.616   2.320  1.00  0.00           O  
HETATM   12  C11 UNL     1      -2.941  -0.493   0.255  1.00  0.00           C  
HETATM   13  O2  UNL     1      -2.582  -0.473  -1.090  1.00  0.00           O  
HETATM   14  C12 UNL     1      -4.433  -0.613   0.424  1.00  0.00           C  
HETATM   15  O3  UNL     1      -4.816  -1.811  -0.188  1.00  0.00           O  
HETATM   16  C13 UNL     1      -5.171   0.495  -0.297  1.00  0.00           C  
HETATM   17  O4  UNL     1      -6.550   0.323  -0.197  1.00  0.00           O  
HETATM   18  H1  UNL     1       9.968  -0.564   0.145  1.00  0.00           H  
HETATM   19  H2  UNL     1       9.848   0.843  -1.053  1.00  0.00           H  
HETATM   20  H3  UNL     1       9.627  -0.879  -1.573  1.00  0.00           H  
HETATM   21  H4  UNL     1      -2.684   1.663   0.535  1.00  0.00           H  
HETATM   22  H5  UNL     1      -1.952   0.772   2.893  1.00  0.00           H  
HETATM   23  H6  UNL     1      -2.488  -1.401   0.703  1.00  0.00           H  
HETATM   24  H7  UNL     1      -2.552  -1.414  -1.395  1.00  0.00           H  
HETATM   25  H8  UNL     1      -4.720  -0.654   1.489  1.00  0.00           H  
HETATM   26  H9  UNL     1      -4.867  -1.677  -1.174  1.00  0.00           H  
HETATM   27  H10 UNL     1      -4.908   0.408  -1.367  1.00  0.00           H  
HETATM   28  H11 UNL     1      -4.950   1.498   0.123  1.00  0.00           H  
HETATM   29  H12 UNL     1      -6.754  -0.051   0.700  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3    3    3
CONECT    3    4
CONECT    4    5    5    5
CONECT    5    6
CONECT    6    7    7    7
CONECT    7    8
CONECT    8    9    9    9
CONECT    9   10
CONECT   10   11   12   21
CONECT   11   22
CONECT   12   13   14   23
CONECT   13   24
CONECT   14   15   16   25
CONECT   15   26
CONECT   16   17   27   28
CONECT   17   29
END