COMPND    HMDB0002209
HETATM    1  O1  UNL     1      -5.040   0.871   1.839  1.00  0.00           O  
HETATM    2  C1  UNL     1      -3.900   0.317   1.253  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.746   1.048   1.080  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.595   0.522   0.500  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.590  -0.784   0.073  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.399  -1.402  -0.553  1.00  0.00           C  
HETATM    7  C6  UNL     1      -0.131  -0.817  -1.923  1.00  0.00           C  
HETATM    8  O2  UNL     1       0.441   0.468  -1.803  1.00  0.00           O  
HETATM    9  C7  UNL     1       1.614   0.521  -1.037  1.00  0.00           C  
HETATM   10  C8  UNL     1       2.581   1.494  -1.327  1.00  0.00           C  
HETATM   11  C9  UNL     1       3.738   1.557  -0.583  1.00  0.00           C  
HETATM   12  O3  UNL     1       4.694   2.518  -0.868  1.00  0.00           O  
HETATM   13  C10 UNL     1       3.906   0.653   0.429  1.00  0.00           C  
HETATM   14  C11 UNL     1       2.969  -0.303   0.723  1.00  0.00           C  
HETATM   15  C12 UNL     1       1.776  -0.388  -0.025  1.00  0.00           C  
HETATM   16  C13 UNL     1       0.794  -1.432   0.330  1.00  0.00           C  
HETATM   17  C14 UNL     1      -2.740  -1.517   0.244  1.00  0.00           C  
HETATM   18  C15 UNL     1      -3.888  -0.998   0.821  1.00  0.00           C  
HETATM   19  H1  UNL     1      -4.997   1.829   2.135  1.00  0.00           H  
HETATM   20  H2  UNL     1      -2.745   2.078   1.415  1.00  0.00           H  
HETATM   21  H3  UNL     1      -0.754   1.184   0.417  1.00  0.00           H  
HETATM   22  H4  UNL     1      -0.677  -2.483  -0.748  1.00  0.00           H  
HETATM   23  H5  UNL     1       0.592  -1.517  -2.417  1.00  0.00           H  
HETATM   24  H6  UNL     1      -1.068  -0.805  -2.518  1.00  0.00           H  
HETATM   25  H7  UNL     1       2.386   2.182  -2.143  1.00  0.00           H  
HETATM   26  H8  UNL     1       4.660   3.430  -0.415  1.00  0.00           H  
HETATM   27  H9  UNL     1       4.824   0.726   0.997  1.00  0.00           H  
HETATM   28  H10 UNL     1       3.103  -1.024   1.530  1.00  0.00           H  
HETATM   29  H11 UNL     1       0.495  -1.336   1.414  1.00  0.00           H  
HETATM   30  H12 UNL     1       1.297  -2.430   0.283  1.00  0.00           H  
HETATM   31  H13 UNL     1      -2.817  -2.567  -0.070  1.00  0.00           H  
HETATM   32  H14 UNL     1      -4.784  -1.594   0.946  1.00  0.00           H  
CONECT    1    2   19
CONECT    2    3    3   18
CONECT    3    4   20
CONECT    4    5    5   21
CONECT    5    6   17
CONECT    6    7   16   22
CONECT    7    8   23   24
CONECT    8    9
CONECT    9   10   10   15
CONECT   10   11   25
CONECT   11   12   13   13
CONECT   12   26
CONECT   13   14   27
CONECT   14   15   15   28
CONECT   15   16
CONECT   16   29   30
CONECT   17   18   18   31
CONECT   18   32
END