COMPND    HMDB0030570
HETATM    1  C1  UNL     1       2.913  -1.051  -0.860  1.00  0.00           C  
HETATM    2  O1  UNL     1       2.457   0.278  -0.639  1.00  0.00           O  
HETATM    3  C2  UNL     1       1.164   0.480  -0.204  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.743   1.776   0.003  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.525   2.077   0.436  1.00  0.00           C  
HETATM    6  O2  UNL     1      -0.922   3.388   0.636  1.00  0.00           O  
HETATM    7  C5  UNL     1      -1.397   1.046   0.668  1.00  0.00           C  
HETATM    8  C6  UNL     1      -0.998  -0.281   0.467  1.00  0.00           C  
HETATM    9  C7  UNL     1      -2.010  -1.310   0.745  1.00  0.00           C  
HETATM   10  O3  UNL     1      -1.584  -2.592   0.537  1.00  0.00           O  
HETATM   11  C8  UNL     1       0.275  -0.536   0.035  1.00  0.00           C  
HETATM   12  H1  UNL     1       3.853  -1.066  -1.453  1.00  0.00           H  
HETATM   13  H2  UNL     1       3.097  -1.580   0.104  1.00  0.00           H  
HETATM   14  H3  UNL     1       2.125  -1.548  -1.469  1.00  0.00           H  
HETATM   15  H4  UNL     1       1.412   2.614  -0.172  1.00  0.00           H  
HETATM   16  H5  UNL     1      -1.856   3.613   0.955  1.00  0.00           H  
HETATM   17  H6  UNL     1      -2.399   1.273   1.010  1.00  0.00           H  
HETATM   18  H7  UNL     1      -2.894  -1.128   0.075  1.00  0.00           H  
HETATM   19  H8  UNL     1      -2.391  -1.130   1.775  1.00  0.00           H  
HETATM   20  H9  UNL     1      -1.646  -2.774  -0.447  1.00  0.00           H  
HETATM   21  H10 UNL     1       0.587  -1.548  -0.122  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3
CONECT    3    4    4   11
CONECT    4    5   15
CONECT    5    6    7    7
CONECT    6   16
CONECT    7    8   17
CONECT    8    9   11   11
CONECT    9   10   18   19
CONECT   10   20
CONECT   11   21
END