COMPND    HMDB0041862
HETATM    1  O1  UNL     1       2.214  -1.431  -0.945  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.318  -0.491  -0.125  1.00  0.00           C  
HETATM    3  O2  UNL     1       3.574   0.009   0.185  1.00  0.00           O  
HETATM    4  C2  UNL     1       1.069   0.041   0.478  1.00  0.00           C  
HETATM    5  O3  UNL     1       1.329   1.077   1.368  1.00  0.00           O  
HETATM    6  C3  UNL     1       0.174   0.499  -0.662  1.00  0.00           C  
HETATM    7  O4  UNL     1      -0.019  -0.639  -1.498  1.00  0.00           O  
HETATM    8  C4  UNL     1      -0.921  -1.454  -0.809  1.00  0.00           C  
HETATM    9  O5  UNL     1      -1.064  -2.701  -0.981  1.00  0.00           O  
HETATM   10  C5  UNL     1      -1.692  -0.628   0.161  1.00  0.00           C  
HETATM   11  O6  UNL     1      -3.064  -0.785  -0.006  1.00  0.00           O  
HETATM   12  C6  UNL     1      -1.237   0.751  -0.205  1.00  0.00           C  
HETATM   13  O7  UNL     1      -1.320   1.660   0.833  1.00  0.00           O  
HETATM   14  H1  UNL     1       3.752   0.954   0.484  1.00  0.00           H  
HETATM   15  H2  UNL     1       0.596  -0.777   1.058  1.00  0.00           H  
HETATM   16  H3  UNL     1       1.495   0.742   2.291  1.00  0.00           H  
HETATM   17  H4  UNL     1       0.627   1.336  -1.186  1.00  0.00           H  
HETATM   18  H5  UNL     1      -1.434  -0.934   1.179  1.00  0.00           H  
HETATM   19  H6  UNL     1      -3.289  -0.876  -0.969  1.00  0.00           H  
HETATM   20  H7  UNL     1      -1.816   1.082  -1.077  1.00  0.00           H  
HETATM   21  H8  UNL     1      -1.290   2.566   0.425  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   14
CONECT    4    5    6   15
CONECT    5   16
CONECT    6    7   12   17
CONECT    7    8
CONECT    8    9    9   10
CONECT   10   11   12   18
CONECT   11   19
CONECT   12   13   20
CONECT   13   21
END