COMPND    HMDB0037194
HETATM    1  C1  UNL     1      -4.511   1.090   0.999  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.796   1.057  -0.350  1.00  0.00           C  
HETATM    3  O1  UNL     1      -2.467   0.610  -0.075  1.00  0.00           O  
HETATM    4  C3  UNL     1      -1.517   0.454  -1.055  1.00  0.00           C  
HETATM    5  O2  UNL     1      -1.887   0.733  -2.246  1.00  0.00           O  
HETATM    6  C4  UNL     1      -0.132  -0.006  -0.803  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.176  -1.386  -0.183  1.00  0.00           C  
HETATM    8  C6  UNL     1      -0.880  -2.290  -1.183  1.00  0.00           C  
HETATM    9  C7  UNL     1       0.645   0.970   0.047  1.00  0.00           C  
HETATM   10  C8  UNL     1       2.019   0.533   0.309  1.00  0.00           C  
HETATM   11  C9  UNL     1       2.313  -0.237   1.410  1.00  0.00           C  
HETATM   12  C10 UNL     1       3.617  -0.630   1.626  1.00  0.00           C  
HETATM   13  C11 UNL     1       4.642  -0.267   0.758  1.00  0.00           C  
HETATM   14  C12 UNL     1       4.318   0.508  -0.342  1.00  0.00           C  
HETATM   15  C13 UNL     1       3.021   0.912  -0.577  1.00  0.00           C  
HETATM   16  H1  UNL     1      -5.513   1.546   0.920  1.00  0.00           H  
HETATM   17  H2  UNL     1      -3.895   1.657   1.725  1.00  0.00           H  
HETATM   18  H3  UNL     1      -4.580   0.044   1.405  1.00  0.00           H  
HETATM   19  H4  UNL     1      -3.799   2.085  -0.759  1.00  0.00           H  
HETATM   20  H5  UNL     1      -4.349   0.353  -0.991  1.00  0.00           H  
HETATM   21  H6  UNL     1       0.400  -0.111  -1.767  1.00  0.00           H  
HETATM   22  H7  UNL     1       0.799  -1.756   0.122  1.00  0.00           H  
HETATM   23  H8  UNL     1      -0.844  -1.305   0.716  1.00  0.00           H  
HETATM   24  H9  UNL     1      -0.538  -2.079  -2.221  1.00  0.00           H  
HETATM   25  H10 UNL     1      -0.720  -3.347  -0.934  1.00  0.00           H  
HETATM   26  H11 UNL     1      -1.972  -2.059  -1.176  1.00  0.00           H  
HETATM   27  H12 UNL     1       0.119   1.024   1.038  1.00  0.00           H  
HETATM   28  H13 UNL     1       0.667   1.945  -0.472  1.00  0.00           H  
HETATM   29  H14 UNL     1       1.531  -0.527   2.094  1.00  0.00           H  
HETATM   30  H15 UNL     1       3.867  -1.230   2.478  1.00  0.00           H  
HETATM   31  H16 UNL     1       5.660  -0.577   0.932  1.00  0.00           H  
HETATM   32  H17 UNL     1       5.139   0.771  -0.995  1.00  0.00           H  
HETATM   33  H18 UNL     1       2.819   1.516  -1.450  1.00  0.00           H  
CONECT    1    2   16   17   18
CONECT    2    3   19   20
CONECT    3    4
CONECT    4    5    5    6
CONECT    6    7    9   21
CONECT    7    8   22   23
CONECT    8   24   25   26
CONECT    9   10   27   28
CONECT   10   11   11   15
CONECT   11   12   29
CONECT   12   13   13   30
CONECT   13   14   31
CONECT   14   15   15   32
CONECT   15   33
END