COMPND    HMDB0037606
HETATM    1  C1  UNL     1       3.455   1.096  -0.886  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.701   0.176  -1.774  1.00  0.00           C  
HETATM    3  O1  UNL     1       3.247  -0.372  -2.737  1.00  0.00           O  
HETATM    4  C3  UNL     1       1.276  -0.039  -1.439  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.706   0.552  -0.408  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.725   0.317  -0.098  1.00  0.00           C  
HETATM    7  C6  UNL     1      -1.523   1.192  -1.065  1.00  0.00           C  
HETATM    8  C7  UNL     1      -1.006   0.834   1.280  1.00  0.00           C  
HETATM    9  C8  UNL     1      -0.116   2.002   1.654  1.00  0.00           C  
HETATM   10  C9  UNL     1      -0.809  -0.184   2.369  1.00  0.00           C  
HETATM   11  C10 UNL     1      -1.411  -1.511   2.109  1.00  0.00           C  
HETATM   12  C11 UNL     1      -0.862  -2.028   0.799  1.00  0.00           C  
HETATM   13  C12 UNL     1      -1.161  -1.084  -0.339  1.00  0.00           C  
HETATM   14  C13 UNL     1      -0.597  -1.711  -1.587  1.00  0.00           C  
HETATM   15  C14 UNL     1       0.444  -0.925  -2.244  1.00  0.00           C  
HETATM   16  O2  UNL     1       0.654  -0.982  -3.497  1.00  0.00           O  
HETATM   17  H1  UNL     1       4.457   1.285  -1.331  1.00  0.00           H  
HETATM   18  H2  UNL     1       2.920   2.071  -0.787  1.00  0.00           H  
HETATM   19  H3  UNL     1       3.659   0.639   0.116  1.00  0.00           H  
HETATM   20  H4  UNL     1       1.339   1.205   0.181  1.00  0.00           H  
HETATM   21  H5  UNL     1      -1.729   0.674  -2.010  1.00  0.00           H  
HETATM   22  H6  UNL     1      -1.010   2.168  -1.202  1.00  0.00           H  
HETATM   23  H7  UNL     1      -2.487   1.397  -0.551  1.00  0.00           H  
HETATM   24  H8  UNL     1      -2.055   1.190   1.355  1.00  0.00           H  
HETATM   25  H9  UNL     1       0.072   2.684   0.815  1.00  0.00           H  
HETATM   26  H10 UNL     1       0.823   1.612   2.114  1.00  0.00           H  
HETATM   27  H11 UNL     1      -0.643   2.542   2.479  1.00  0.00           H  
HETATM   28  H12 UNL     1       0.278  -0.323   2.591  1.00  0.00           H  
HETATM   29  H13 UNL     1      -1.254   0.240   3.298  1.00  0.00           H  
HETATM   30  H14 UNL     1      -2.511  -1.520   2.096  1.00  0.00           H  
HETATM   31  H15 UNL     1      -1.075  -2.210   2.894  1.00  0.00           H  
HETATM   32  H16 UNL     1       0.211  -2.278   0.881  1.00  0.00           H  
HETATM   33  H17 UNL     1      -1.399  -2.983   0.584  1.00  0.00           H  
HETATM   34  H18 UNL     1      -2.286  -1.104  -0.454  1.00  0.00           H  
HETATM   35  H19 UNL     1      -1.399  -1.882  -2.365  1.00  0.00           H  
HETATM   36  H20 UNL     1      -0.183  -2.738  -1.404  1.00  0.00           H  
CONECT    1    2   17   18   19
CONECT    2    3    3    4
CONECT    4    5    5   15
CONECT    5    6   20
CONECT    6    7    8   13
CONECT    7   21   22   23
CONECT    8    9   10   24
CONECT    9   25   26   27
CONECT   10   11   28   29
CONECT   11   12   30   31
CONECT   12   13   32   33
CONECT   13   14   34
CONECT   14   15   35   36
CONECT   15   16   16
END