COMPND    HMDB0032131
HETATM    1  O1  UNL     1       4.057  -2.199  -0.672  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.502  -1.194  -0.173  1.00  0.00           C  
HETATM    3  O2  UNL     1       4.245  -0.239   0.508  1.00  0.00           O  
HETATM    4  C2  UNL     1       2.042  -1.081  -0.346  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.468  -0.030   0.176  1.00  0.00           C  
HETATM    6  C4  UNL     1       0.032   0.152   0.049  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.813  -0.717  -0.599  1.00  0.00           C  
HETATM    8  C6  UNL     1      -2.191  -0.504  -0.699  1.00  0.00           C  
HETATM    9  O3  UNL     1      -2.955  -1.443  -1.375  1.00  0.00           O  
HETATM   10  C7  UNL     1      -2.693   0.635  -0.113  1.00  0.00           C  
HETATM   11  C8  UNL     1      -1.855   1.521   0.543  1.00  0.00           C  
HETATM   12  O4  UNL     1      -2.412   2.668   1.124  1.00  0.00           O  
HETATM   13  C9  UNL     1      -0.503   1.291   0.629  1.00  0.00           C  
HETATM   14  H1  UNL     1       5.220  -0.148   0.249  1.00  0.00           H  
HETATM   15  H2  UNL     1       1.536  -1.857  -0.884  1.00  0.00           H  
HETATM   16  H3  UNL     1       2.088   0.688   0.699  1.00  0.00           H  
HETATM   17  H4  UNL     1      -0.415  -1.613  -1.059  1.00  0.00           H  
HETATM   18  H5  UNL     1      -3.955  -1.356  -1.487  1.00  0.00           H  
HETATM   19  H6  UNL     1      -3.767   0.806  -0.189  1.00  0.00           H  
HETATM   20  H7  UNL     1      -2.723   2.599   2.086  1.00  0.00           H  
HETATM   21  H8  UNL     1       0.092   2.022   1.155  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   14
CONECT    4    5    5   15
CONECT    5    6   16
CONECT    6    7    7   13
CONECT    7    8   17
CONECT    8    9   10   10
CONECT    9   18
CONECT   10   11   19
CONECT   11   12   13   13
CONECT   12   20
CONECT   13   21
END