COMPND    HMDB0005800
HETATM    1  O1  UNL     1       2.296   2.328   1.838  1.00  0.00           O  
HETATM    2  C1  UNL     1       1.736   1.400   1.225  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.350   1.406   1.049  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.321   0.416   0.385  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.778   0.438   0.211  1.00  0.00           C  
HETATM    6  C5  UNL     1      -2.570   1.446   0.695  1.00  0.00           C  
HETATM    7  C6  UNL     1      -3.956   1.435   0.510  1.00  0.00           C  
HETATM    8  C7  UNL     1      -4.540   0.391  -0.173  1.00  0.00           C  
HETATM    9  O2  UNL     1      -5.910   0.340  -0.380  1.00  0.00           O  
HETATM   10  C8  UNL     1      -3.768  -0.649  -0.680  1.00  0.00           C  
HETATM   11  O3  UNL     1      -4.395  -1.681  -1.362  1.00  0.00           O  
HETATM   12  C9  UNL     1      -2.415  -0.591  -0.471  1.00  0.00           C  
HETATM   13  O4  UNL     1       0.395  -0.567  -0.095  1.00  0.00           O  
HETATM   14  C10 UNL     1       1.707  -0.628   0.039  1.00  0.00           C  
HETATM   15  C11 UNL     1       2.386  -1.711  -0.505  1.00  0.00           C  
HETATM   16  C12 UNL     1       3.752  -1.789  -0.374  1.00  0.00           C  
HETATM   17  O5  UNL     1       4.404  -2.883  -0.927  1.00  0.00           O  
HETATM   18  C13 UNL     1       4.480  -0.836   0.276  1.00  0.00           C  
HETATM   19  C14 UNL     1       3.829   0.277   0.840  1.00  0.00           C  
HETATM   20  O6  UNL     1       4.566   1.220   1.485  1.00  0.00           O  
HETATM   21  C15 UNL     1       2.452   0.349   0.704  1.00  0.00           C  
HETATM   22  H1  UNL     1      -0.156   2.255   1.479  1.00  0.00           H  
HETATM   23  H2  UNL     1      -2.116   2.264   1.231  1.00  0.00           H  
HETATM   24  H3  UNL     1      -4.533   2.252   0.912  1.00  0.00           H  
HETATM   25  H4  UNL     1      -6.548   1.034  -0.058  1.00  0.00           H  
HETATM   26  H5  UNL     1      -3.926  -2.460  -1.755  1.00  0.00           H  
HETATM   27  H6  UNL     1      -1.805  -1.379  -0.852  1.00  0.00           H  
HETATM   28  H7  UNL     1       1.807  -2.481  -1.028  1.00  0.00           H  
HETATM   29  H8  UNL     1       4.712  -2.758  -1.903  1.00  0.00           H  
HETATM   30  H9  UNL     1       5.554  -0.865   0.397  1.00  0.00           H  
HETATM   31  H10 UNL     1       4.311   2.025   1.921  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   21
CONECT    3    4    4   22
CONECT    4    5   13
CONECT    5    6    6   12
CONECT    6    7   23
CONECT    7    8    8   24
CONECT    8    9   10
CONECT    9   25
CONECT   10   11   12   12
CONECT   11   26
CONECT   12   27
CONECT   13   14
CONECT   14   15   15   21
CONECT   15   16   28
CONECT   16   17   18   18
CONECT   17   29
CONECT   18   19   30
CONECT   19   20   21   21
CONECT   20   31
END