COMPND    HMDB0006814
HETATM    1  O1  UNL     1       4.058   1.087   1.232  1.00  0.00           O  
HETATM    2  P1  UNL     1       3.179   0.555   0.122  1.00  0.00           P  
HETATM    3  O2  UNL     1       3.835   1.077  -1.343  1.00  0.00           O  
HETATM    4  O3  UNL     1       3.307  -1.148   0.148  1.00  0.00           O  
HETATM    5  O4  UNL     1       1.576   1.036   0.309  1.00  0.00           O  
HETATM    6  C1  UNL     1       0.676   0.015  -0.042  1.00  0.00           C  
HETATM    7  C2  UNL     1      -0.107  -0.346   1.190  1.00  0.00           C  
HETATM    8  O5  UNL     1      -0.228   0.717   2.082  1.00  0.00           O  
HETATM    9  C3  UNL     1      -1.458  -0.924   0.893  1.00  0.00           C  
HETATM   10  O6  UNL     1      -2.139  -1.037   2.107  1.00  0.00           O  
HETATM   11  C4  UNL     1      -2.286  -0.121  -0.044  1.00  0.00           C  
HETATM   12  O7  UNL     1      -2.788  -0.960  -1.064  1.00  0.00           O  
HETATM   13  C5  UNL     1      -1.536   0.985  -0.732  1.00  0.00           C  
HETATM   14  O8  UNL     1      -1.365   2.062   0.122  1.00  0.00           O  
HETATM   15  C6  UNL     1      -0.208   0.394  -1.186  1.00  0.00           C  
HETATM   16  O9  UNL     1      -0.550  -0.805  -1.856  1.00  0.00           O  
HETATM   17  H1  UNL     1       4.826   0.973  -1.262  1.00  0.00           H  
HETATM   18  H2  UNL     1       3.321  -1.503  -0.782  1.00  0.00           H  
HETATM   19  H3  UNL     1       1.302  -0.849  -0.354  1.00  0.00           H  
HETATM   20  H4  UNL     1       0.474  -1.134   1.726  1.00  0.00           H  
HETATM   21  H5  UNL     1       0.591   1.256   2.146  1.00  0.00           H  
HETATM   22  H6  UNL     1      -1.323  -1.966   0.499  1.00  0.00           H  
HETATM   23  H7  UNL     1      -2.386  -1.957   2.308  1.00  0.00           H  
HETATM   24  H8  UNL     1      -3.176   0.339   0.445  1.00  0.00           H  
HETATM   25  H9  UNL     1      -3.741  -1.125  -0.960  1.00  0.00           H  
HETATM   26  H10 UNL     1      -2.064   1.289  -1.662  1.00  0.00           H  
HETATM   27  H11 UNL     1      -2.178   2.097   0.717  1.00  0.00           H  
HETATM   28  H12 UNL     1       0.293   1.019  -1.940  1.00  0.00           H  
HETATM   29  H13 UNL     1       0.095  -1.028  -2.561  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4    5
CONECT    3   17
CONECT    4   18
CONECT    5    6
CONECT    6    7   15   19
CONECT    7    8    9   20
CONECT    8   21
CONECT    9   10   11   22
CONECT   10   23
CONECT   11   12   13   24
CONECT   12   25
CONECT   13   14   15   26
CONECT   14   27
CONECT   15   16   28
CONECT   16   29
END