COMPND    HMDB0031020
HETATM    1  C1  UNL     1      -2.062   1.935  -0.559  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.298   0.903  -1.634  1.00  0.00           C  
HETATM    3  C3  UNL     1      -3.011  -0.316  -1.108  1.00  0.00           C  
HETATM    4  C4  UNL     1      -2.262  -1.038  -0.018  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.926  -1.511  -0.508  1.00  0.00           C  
HETATM    6  C6  UNL     1      -0.146  -2.245   0.540  1.00  0.00           C  
HETATM    7  C7  UNL     1       0.147  -1.410   1.767  1.00  0.00           C  
HETATM    8  C8  UNL     1       0.951  -0.185   1.425  1.00  0.00           C  
HETATM    9  C9  UNL     1       2.293  -0.509   0.797  1.00  0.00           C  
HETATM   10  C10 UNL     1       2.970   0.808   0.519  1.00  0.00           C  
HETATM   11  C11 UNL     1       3.293   1.109  -0.726  1.00  0.00           C  
HETATM   12  C12 UNL     1       3.944   2.372  -1.005  1.00  0.00           C  
HETATM   13  O1  UNL     1       4.201   3.175  -0.087  1.00  0.00           O  
HETATM   14  H1  UNL     1      -2.603   1.607   0.357  1.00  0.00           H  
HETATM   15  H2  UNL     1      -0.978   2.093  -0.373  1.00  0.00           H  
HETATM   16  H3  UNL     1      -2.491   2.898  -0.903  1.00  0.00           H  
HETATM   17  H4  UNL     1      -2.971   1.338  -2.410  1.00  0.00           H  
HETATM   18  H5  UNL     1      -1.307   0.654  -2.068  1.00  0.00           H  
HETATM   19  H6  UNL     1      -3.282  -0.993  -1.943  1.00  0.00           H  
HETATM   20  H7  UNL     1      -3.987  -0.002  -0.655  1.00  0.00           H  
HETATM   21  H8  UNL     1      -2.158  -0.322   0.824  1.00  0.00           H  
HETATM   22  H9  UNL     1      -2.923  -1.897   0.284  1.00  0.00           H  
HETATM   23  H10 UNL     1      -0.340  -0.639  -0.827  1.00  0.00           H  
HETATM   24  H11 UNL     1      -1.073  -2.222  -1.355  1.00  0.00           H  
HETATM   25  H12 UNL     1      -0.713  -3.166   0.823  1.00  0.00           H  
HETATM   26  H13 UNL     1       0.837  -2.579   0.132  1.00  0.00           H  
HETATM   27  H14 UNL     1       0.699  -2.013   2.525  1.00  0.00           H  
HETATM   28  H15 UNL     1      -0.821  -1.057   2.167  1.00  0.00           H  
HETATM   29  H16 UNL     1       1.108   0.433   2.336  1.00  0.00           H  
HETATM   30  H17 UNL     1       0.378   0.460   0.728  1.00  0.00           H  
HETATM   31  H18 UNL     1       2.173  -1.075  -0.132  1.00  0.00           H  
HETATM   32  H19 UNL     1       2.931  -1.065   1.502  1.00  0.00           H  
HETATM   33  H20 UNL     1       3.169   1.466   1.355  1.00  0.00           H  
HETATM   34  H21 UNL     1       3.051   0.383  -1.489  1.00  0.00           H  
HETATM   35  H22 UNL     1       4.205   2.612  -2.017  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   27   28
CONECT    8    9   29   30
CONECT    9   10   31   32
CONECT   10   11   11   33
CONECT   11   12   34
CONECT   12   13   13   35
END