COMPND    HMDB0038017
HETATM    1  C1  UNL     1       3.300   1.987  -0.827  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.545   0.865  -1.461  1.00  0.00           C  
HETATM    3  O1  UNL     1       1.565   0.302  -0.657  1.00  0.00           O  
HETATM    4  C3  UNL     1       1.705  -0.297   0.541  1.00  0.00           C  
HETATM    5  O2  UNL     1       2.919  -0.337   0.971  1.00  0.00           O  
HETATM    6  C4  UNL     1       0.711  -0.907   1.415  1.00  0.00           C  
HETATM    7  C5  UNL     1       1.072  -1.700   2.538  1.00  0.00           C  
HETATM    8  C6  UNL     1      -0.116  -2.184   3.014  1.00  0.00           C  
HETATM    9  O3  UNL     1      -1.081  -1.740   2.276  1.00  0.00           O  
HETATM   10  C7  UNL     1      -0.624  -0.950   1.284  1.00  0.00           C  
HETATM   11  C8  UNL     1      -1.544  -0.347   0.342  1.00  0.00           C  
HETATM   12  C9  UNL     1      -1.379   0.756  -0.401  1.00  0.00           C  
HETATM   13  C10 UNL     1      -2.325   1.185  -1.346  1.00  0.00           C  
HETATM   14  C11 UNL     1      -3.483   0.471  -1.546  1.00  0.00           C  
HETATM   15  C12 UNL     1      -3.690  -0.666  -0.801  1.00  0.00           C  
HETATM   16  C13 UNL     1      -2.743  -1.051   0.110  1.00  0.00           C  
HETATM   17  H1  UNL     1       4.274   1.591  -0.471  1.00  0.00           H  
HETATM   18  H2  UNL     1       2.797   2.425   0.058  1.00  0.00           H  
HETATM   19  H3  UNL     1       3.516   2.816  -1.534  1.00  0.00           H  
HETATM   20  H4  UNL     1       2.024   1.295  -2.366  1.00  0.00           H  
HETATM   21  H5  UNL     1       3.272   0.138  -1.874  1.00  0.00           H  
HETATM   22  H6  UNL     1       2.039  -1.876   2.918  1.00  0.00           H  
HETATM   23  H7  UNL     1      -0.289  -2.842   3.873  1.00  0.00           H  
HETATM   24  H8  UNL     1      -0.536   1.384  -0.259  1.00  0.00           H  
HETATM   25  H9  UNL     1      -2.153   2.078  -1.926  1.00  0.00           H  
HETATM   26  H10 UNL     1      -4.201   0.823  -2.285  1.00  0.00           H  
HETATM   27  H11 UNL     1      -4.604  -1.248  -0.943  1.00  0.00           H  
HETATM   28  H12 UNL     1      -2.973  -1.972   0.672  1.00  0.00           H  
CONECT    1    2   17   18   19
CONECT    2    3   20   21
CONECT    3    4
CONECT    4    5    5    6
CONECT    6    7   10   10
CONECT    7    8    8   22
CONECT    8    9   23
CONECT    9   10
CONECT   10   11
CONECT   11   12   12   16
CONECT   12   13   24
CONECT   13   14   14   25
CONECT   14   15   26
CONECT   15   16   16   27
CONECT   16   28
END