COMPND    HMDB0036628
HETATM    1  C1  UNL     1       2.588  -1.445  -0.390  1.00  0.00           C  
HETATM    2  O1  UNL     1       1.669  -0.725  -1.221  1.00  0.00           O  
HETATM    3  C2  UNL     1       0.634  -0.084  -0.567  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.854   1.229  -0.157  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.901   2.122  -0.234  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.522   3.305   0.365  1.00  0.00           C  
HETATM    7  O2  UNL     1       0.294   3.113   0.780  1.00  0.00           O  
HETATM    8  C6  UNL     1      -0.145   1.916   0.501  1.00  0.00           C  
HETATM    9  C7  UNL     1      -1.355   1.259   0.732  1.00  0.00           C  
HETATM   10  O3  UNL     1      -2.376   1.907   1.383  1.00  0.00           O  
HETATM   11  C8  UNL     1      -1.558  -0.040   0.320  1.00  0.00           C  
HETATM   12  O4  UNL     1      -2.712  -0.666   0.542  1.00  0.00           O  
HETATM   13  C9  UNL     1      -2.923  -1.902   0.157  1.00  0.00           C  
HETATM   14  O5  UNL     1      -4.053  -2.447   0.399  1.00  0.00           O  
HETATM   15  C10 UNL     1      -1.976  -2.655  -0.505  1.00  0.00           C  
HETATM   16  C11 UNL     1      -0.762  -2.034  -0.752  1.00  0.00           C  
HETATM   17  C12 UNL     1      -0.559  -0.727  -0.337  1.00  0.00           C  
HETATM   18  H1  UNL     1       2.069  -2.283   0.126  1.00  0.00           H  
HETATM   19  H2  UNL     1       2.915  -0.755   0.435  1.00  0.00           H  
HETATM   20  H3  UNL     1       3.438  -1.814  -0.981  1.00  0.00           H  
HETATM   21  H4  UNL     1       2.848   1.892  -0.698  1.00  0.00           H  
HETATM   22  H5  UNL     1       2.130   4.216   0.469  1.00  0.00           H  
HETATM   23  H6  UNL     1      -2.254   2.861   1.697  1.00  0.00           H  
HETATM   24  H7  UNL     1      -2.205  -3.669  -0.798  1.00  0.00           H  
HETATM   25  H8  UNL     1       0.017  -2.573  -1.266  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3
CONECT    3    4    4   17
CONECT    4    5    8
CONECT    5    6    6   21
CONECT    6    7   22
CONECT    7    8
CONECT    8    9    9
CONECT    9   10   11
CONECT   10   23
CONECT   11   12   17   17
CONECT   12   13
CONECT   13   14   14   15
CONECT   15   16   16   24
CONECT   16   17   25
END