COMPND    HMDB0240711
HETATM    1  O1  UNL     1      -4.576   1.121  -1.402  1.00  0.00           O  
HETATM    2  C1  UNL     1      -3.412   0.421  -1.069  1.00  0.00           C  
HETATM    3  C2  UNL     1      -3.139   0.023   0.221  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.976  -0.671   0.524  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.044  -0.995  -0.438  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.207  -1.737  -0.127  1.00  0.00           C  
HETATM    7  C6  UNL     1       1.274  -0.758   0.208  1.00  0.00           C  
HETATM    8  C7  UNL     1       2.076  -0.262  -0.781  1.00  0.00           C  
HETATM    9  C8  UNL     1       3.064   0.651  -0.442  1.00  0.00           C  
HETATM   10  C9  UNL     1       3.199   1.017   0.860  1.00  0.00           C  
HETATM   11  O2  UNL     1       4.200   1.942   1.205  1.00  0.00           O  
HETATM   12  C10 UNL     1       2.392   0.520   1.863  1.00  0.00           C  
HETATM   13  C11 UNL     1       1.418  -0.380   1.528  1.00  0.00           C  
HETATM   14  C12 UNL     1      -1.321  -0.593  -1.738  1.00  0.00           C  
HETATM   15  C13 UNL     1      -2.480   0.097  -2.032  1.00  0.00           C  
HETATM   16  H1  UNL     1      -4.541   2.152  -1.363  1.00  0.00           H  
HETATM   17  H2  UNL     1      -3.847   0.258   1.009  1.00  0.00           H  
HETATM   18  H3  UNL     1      -1.759  -0.988   1.554  1.00  0.00           H  
HETATM   19  H4  UNL     1       0.054  -2.464   0.706  1.00  0.00           H  
HETATM   20  H5  UNL     1       0.568  -2.312  -1.003  1.00  0.00           H  
HETATM   21  H6  UNL     1       1.927  -0.587  -1.808  1.00  0.00           H  
HETATM   22  H7  UNL     1       3.703   1.050  -1.214  1.00  0.00           H  
HETATM   23  H8  UNL     1       3.977   2.911   1.195  1.00  0.00           H  
HETATM   24  H9  UNL     1       2.525   0.834   2.904  1.00  0.00           H  
HETATM   25  H10 UNL     1       0.758  -0.796   2.303  1.00  0.00           H  
HETATM   26  H11 UNL     1      -0.576  -0.856  -2.485  1.00  0.00           H  
HETATM   27  H12 UNL     1      -2.671   0.401  -3.064  1.00  0.00           H  
CONECT    1    2   16
CONECT    2    3    3   15
CONECT    3    4   17
CONECT    4    5    5   18
CONECT    5    6   14
CONECT    6    7   19   20
CONECT    7    8    8   13
CONECT    8    9   21
CONECT    9   10   10   22
CONECT   10   11   12
CONECT   11   23
CONECT   12   13   13   24
CONECT   13   25
CONECT   14   15   15   26
CONECT   15   27
END