COMPND    HMDB0039511
HETATM    1  O1  UNL     1      -0.250   0.583   1.940  1.00  0.00           O  
HETATM    2  C1  UNL     1      -0.573   0.320   0.754  1.00  0.00           C  
HETATM    3  O2  UNL     1       0.374   0.647  -0.216  1.00  0.00           O  
HETATM    4  C2  UNL     1       1.610   1.226   0.052  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.742   2.541  -0.615  1.00  0.00           C  
HETATM    6  O3  UNL     1       0.794   2.970  -1.306  1.00  0.00           O  
HETATM    7  O4  UNL     1       2.884   3.310  -0.498  1.00  0.00           O  
HETATM    8  C4  UNL     1       2.775   0.369  -0.394  1.00  0.00           C  
HETATM    9  O5  UNL     1       2.746   0.125  -1.764  1.00  0.00           O  
HETATM   10  C5  UNL     1       2.796  -0.936   0.299  1.00  0.00           C  
HETATM   11  O6  UNL     1       2.823  -0.942   1.548  1.00  0.00           O  
HETATM   12  O7  UNL     1       2.787  -2.139  -0.375  1.00  0.00           O  
HETATM   13  C6  UNL     1      -1.855  -0.287   0.416  1.00  0.00           C  
HETATM   14  C7  UNL     1      -2.716  -0.568   1.454  1.00  0.00           C  
HETATM   15  C8  UNL     1      -3.961  -1.148   1.223  1.00  0.00           C  
HETATM   16  C9  UNL     1      -4.334  -1.443  -0.062  1.00  0.00           C  
HETATM   17  C10 UNL     1      -3.473  -1.161  -1.090  1.00  0.00           C  
HETATM   18  C11 UNL     1      -2.220  -0.578  -0.865  1.00  0.00           C  
HETATM   19  H1  UNL     1       1.777   1.411   1.152  1.00  0.00           H  
HETATM   20  H2  UNL     1       3.251   3.506   0.428  1.00  0.00           H  
HETATM   21  H3  UNL     1       3.739   0.875  -0.184  1.00  0.00           H  
HETATM   22  H4  UNL     1       3.380  -0.623  -1.931  1.00  0.00           H  
HETATM   23  H5  UNL     1       3.625  -2.689  -0.479  1.00  0.00           H  
HETATM   24  H6  UNL     1      -2.484  -0.361   2.496  1.00  0.00           H  
HETATM   25  H7  UNL     1      -4.640  -1.370   2.044  1.00  0.00           H  
HETATM   26  H8  UNL     1      -5.310  -1.899  -0.255  1.00  0.00           H  
HETATM   27  H9  UNL     1      -3.749  -1.385  -2.104  1.00  0.00           H  
HETATM   28  H10 UNL     1      -1.537  -0.353  -1.668  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   13
CONECT    3    4
CONECT    4    5    8   19
CONECT    5    6    6    7
CONECT    7   20
CONECT    8    9   10   21
CONECT    9   22
CONECT   10   11   11   12
CONECT   12   23
CONECT   13   14   14   18
CONECT   14   15   24
CONECT   15   16   16   25
CONECT   16   17   26
CONECT   17   18   18   27
CONECT   18   28
END