COMPND    HMDB0061826
HETATM    1  C1  UNL     1       4.396   0.914   1.612  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.255   0.780   0.622  1.00  0.00           C  
HETATM    3  C3  UNL     1       2.953  -0.662   0.333  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.828  -0.828  -0.642  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.522  -0.220  -0.165  1.00  0.00           C  
HETATM    6  C6  UNL     1      -0.501  -0.477  -1.242  1.00  0.00           C  
HETATM    7  C7  UNL     1      -1.839   0.055  -0.946  1.00  0.00           C  
HETATM    8  C8  UNL     1      -2.278   1.230  -1.558  1.00  0.00           C  
HETATM    9  C9  UNL     1      -3.521   1.764  -1.303  1.00  0.00           C  
HETATM   10  C10 UNL     1      -4.399   1.157  -0.422  1.00  0.00           C  
HETATM   11  C11 UNL     1      -3.980  -0.001   0.188  1.00  0.00           C  
HETATM   12  C12 UNL     1      -2.717  -0.541  -0.073  1.00  0.00           C  
HETATM   13  C13 UNL     1      -2.317  -1.798   0.609  1.00  0.00           C  
HETATM   14  H1  UNL     1       5.208   1.510   1.191  1.00  0.00           H  
HETATM   15  H2  UNL     1       4.777  -0.094   1.882  1.00  0.00           H  
HETATM   16  H3  UNL     1       4.030   1.429   2.511  1.00  0.00           H  
HETATM   17  H4  UNL     1       3.553   1.332  -0.307  1.00  0.00           H  
HETATM   18  H5  UNL     1       2.371   1.317   1.005  1.00  0.00           H  
HETATM   19  H6  UNL     1       3.867  -1.074  -0.187  1.00  0.00           H  
HETATM   20  H7  UNL     1       2.828  -1.272   1.228  1.00  0.00           H  
HETATM   21  H8  UNL     1       2.164  -0.309  -1.588  1.00  0.00           H  
HETATM   22  H9  UNL     1       1.686  -1.887  -0.949  1.00  0.00           H  
HETATM   23  H10 UNL     1       0.281  -0.709   0.799  1.00  0.00           H  
HETATM   24  H11 UNL     1       0.705   0.879  -0.041  1.00  0.00           H  
HETATM   25  H12 UNL     1      -0.515  -1.548  -1.440  1.00  0.00           H  
HETATM   26  H13 UNL     1      -0.067  -0.011  -2.176  1.00  0.00           H  
HETATM   27  H14 UNL     1      -1.575   1.697  -2.250  1.00  0.00           H  
HETATM   28  H15 UNL     1      -3.853   2.678  -1.784  1.00  0.00           H  
HETATM   29  H16 UNL     1      -5.381   1.567  -0.213  1.00  0.00           H  
HETATM   30  H17 UNL     1      -4.652  -0.491   0.881  1.00  0.00           H  
HETATM   31  H18 UNL     1      -1.779  -2.424  -0.134  1.00  0.00           H  
HETATM   32  H19 UNL     1      -3.265  -2.346   0.880  1.00  0.00           H  
HETATM   33  H20 UNL     1      -1.785  -1.617   1.544  1.00  0.00           H  
CONECT    1    2   14   15   16
CONECT    2    3   17   18
CONECT    3    4   19   20
CONECT    4    5   21   22
CONECT    5    6   23   24
CONECT    6    7   25   26
CONECT    7    8    8   12
CONECT    8    9   27
CONECT    9   10   10   28
CONECT   10   11   29
CONECT   11   12   12   30
CONECT   12   13
CONECT   13   31   32   33
END