COMPND    HMDB0013695
HETATM    1  O1  UNL     1       0.621   3.467  -0.356  1.00  0.00           O  
HETATM    2  C1  UNL     1       0.170   2.284  -0.280  1.00  0.00           C  
HETATM    3  O2  UNL     1      -1.090   1.987  -0.480  1.00  0.00           O  
HETATM    4  C2  UNL     1      -1.544   0.757  -0.398  1.00  0.00           C  
HETATM    5  C3  UNL     1      -2.884   0.513  -0.620  1.00  0.00           C  
HETATM    6  C4  UNL     1      -3.383  -0.772  -0.539  1.00  0.00           C  
HETATM    7  O3  UNL     1      -4.739  -1.011  -0.765  1.00  0.00           O  
HETATM    8  C5  UNL     1      -2.523  -1.833  -0.230  1.00  0.00           C  
HETATM    9  C6  UNL     1      -1.187  -1.598  -0.007  1.00  0.00           C  
HETATM   10  C7  UNL     1      -0.702  -0.318  -0.090  1.00  0.00           C  
HETATM   11  C8  UNL     1       0.624  -0.005   0.120  1.00  0.00           C  
HETATM   12  C9  UNL     1       1.526  -0.982   0.425  1.00  0.00           C  
HETATM   13  C10 UNL     1       2.876  -0.654   0.638  1.00  0.00           C  
HETATM   14  C11 UNL     1       3.326   0.637   0.547  1.00  0.00           C  
HETATM   15  O4  UNL     1       4.671   0.971   0.758  1.00  0.00           O  
HETATM   16  C12 UNL     1       2.432   1.631   0.240  1.00  0.00           C  
HETATM   17  C13 UNL     1       1.098   1.292   0.032  1.00  0.00           C  
HETATM   18  H1  UNL     1      -3.553   1.340  -0.861  1.00  0.00           H  
HETATM   19  H2  UNL     1      -5.093  -1.947  -0.704  1.00  0.00           H  
HETATM   20  H3  UNL     1      -2.992  -2.803  -0.187  1.00  0.00           H  
HETATM   21  H4  UNL     1      -0.561  -2.434   0.226  1.00  0.00           H  
HETATM   22  H5  UNL     1       1.203  -1.994   0.503  1.00  0.00           H  
HETATM   23  H6  UNL     1       3.573  -1.437   0.878  1.00  0.00           H  
HETATM   24  H7  UNL     1       5.359   0.264   0.986  1.00  0.00           H  
HETATM   25  H8  UNL     1       2.771   2.644   0.166  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   17
CONECT    3    4
CONECT    4    5    5   10
CONECT    5    6   18
CONECT    6    7    8    8
CONECT    7   19
CONECT    8    9   20
CONECT    9   10   10   21
CONECT   10   11
CONECT   11   12   12   17
CONECT   12   13   22
CONECT   13   14   14   23
CONECT   14   15   16
CONECT   15   24
CONECT   16   17   17   25
END