COMPND    HMDB0031840
HETATM    1  C1  UNL     1      -2.350   0.681   2.635  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.626  -0.066   1.572  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.602  -0.346   0.525  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.336   0.258   0.954  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.741  -0.493   1.166  1.00  0.00           C  
HETATM    6  C6  UNL     1       0.592  -1.946   0.949  1.00  0.00           C  
HETATM    7  C7  UNL     1       2.031   0.134   1.605  1.00  0.00           C  
HETATM    8  O1  UNL     1       3.072  -0.088   0.713  1.00  0.00           O  
HETATM    9  C8  UNL     1       3.121   0.291  -0.604  1.00  0.00           C  
HETATM   10  C9  UNL     1       4.278   0.017  -1.507  1.00  0.00           C  
HETATM   11  O2  UNL     1       2.127   0.905  -1.069  1.00  0.00           O  
HETATM   12  C10 UNL     1      -2.084   0.168  -0.780  1.00  0.00           C  
HETATM   13  C11 UNL     1      -2.281  -0.596  -1.838  1.00  0.00           C  
HETATM   14  C12 UNL     1      -2.356   1.625  -0.886  1.00  0.00           C  
HETATM   15  H1  UNL     1      -1.372   1.125   2.797  1.00  0.00           H  
HETATM   16  H2  UNL     1      -3.100   0.885   3.400  1.00  0.00           H  
HETATM   17  H3  UNL     1      -3.635  -0.462   1.506  1.00  0.00           H  
HETATM   18  H4  UNL     1      -1.563  -1.449   0.428  1.00  0.00           H  
HETATM   19  H5  UNL     1      -0.299   1.337   1.092  1.00  0.00           H  
HETATM   20  H6  UNL     1      -0.149  -2.421   1.614  1.00  0.00           H  
HETATM   21  H7  UNL     1       1.606  -2.417   1.048  1.00  0.00           H  
HETATM   22  H8  UNL     1       0.299  -2.101  -0.114  1.00  0.00           H  
HETATM   23  H9  UNL     1       2.316  -0.370   2.575  1.00  0.00           H  
HETATM   24  H10 UNL     1       1.834   1.175   1.855  1.00  0.00           H  
HETATM   25  H11 UNL     1       3.994  -0.688  -2.296  1.00  0.00           H  
HETATM   26  H12 UNL     1       5.172  -0.300  -0.950  1.00  0.00           H  
HETATM   27  H13 UNL     1       4.532   0.996  -1.988  1.00  0.00           H  
HETATM   28  H14 UNL     1      -2.094  -1.659  -1.798  1.00  0.00           H  
HETATM   29  H15 UNL     1      -2.633  -0.161  -2.759  1.00  0.00           H  
HETATM   30  H16 UNL     1      -1.647   2.163  -0.231  1.00  0.00           H  
HETATM   31  H17 UNL     1      -3.395   1.872  -0.548  1.00  0.00           H  
HETATM   32  H18 UNL     1      -2.195   1.930  -1.943  1.00  0.00           H  
CONECT    1    2    2   15   16
CONECT    2    3   17
CONECT    3    4   12   18
CONECT    4    5    5   19
CONECT    5    6    7
CONECT    6   20   21   22
CONECT    7    8   23   24
CONECT    8    9
CONECT    9   10   11   11
CONECT   10   25   26   27
CONECT   12   13   13   14
CONECT   13   28   29
CONECT   14   30   31   32
END