COMPND    HMDB0002339
HETATM    1  C1  UNL     1       4.312  -0.079   2.346  1.00  0.00           C  
HETATM    2  O1  UNL     1       2.981   0.196   2.036  1.00  0.00           O  
HETATM    3  C2  UNL     1       2.393   0.085   0.786  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.146  -0.331  -0.285  1.00  0.00           C  
HETATM    5  C4  UNL     1       2.511  -0.427  -1.528  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.176  -0.113  -1.663  1.00  0.00           C  
HETATM    7  N1  UNL     1       0.395  -0.135  -2.749  1.00  0.00           N  
HETATM    8  C6  UNL     1      -0.851   0.263  -2.377  1.00  0.00           C  
HETATM    9  C7  UNL     1      -0.863   0.545  -1.030  1.00  0.00           C  
HETATM   10  C8  UNL     1      -1.993   1.009  -0.186  1.00  0.00           C  
HETATM   11  C9  UNL     1      -2.570  -0.121   0.656  1.00  0.00           C  
HETATM   12  N2  UNL     1      -3.041  -1.144  -0.269  1.00  0.00           N  
HETATM   13  C10 UNL     1      -3.737   0.403   1.395  1.00  0.00           C  
HETATM   14  O2  UNL     1      -3.517   1.303   2.278  1.00  0.00           O  
HETATM   15  O3  UNL     1      -5.041   0.012   1.218  1.00  0.00           O  
HETATM   16  C11 UNL     1       0.431   0.302  -0.585  1.00  0.00           C  
HETATM   17  C12 UNL     1       1.040   0.399   0.627  1.00  0.00           C  
HETATM   18  H1  UNL     1       4.333  -0.427   3.417  1.00  0.00           H  
HETATM   19  H2  UNL     1       4.797  -0.838   1.675  1.00  0.00           H  
HETATM   20  H3  UNL     1       4.961   0.821   2.268  1.00  0.00           H  
HETATM   21  H4  UNL     1       4.178  -0.587  -0.240  1.00  0.00           H  
HETATM   22  H5  UNL     1       3.107  -0.757  -2.373  1.00  0.00           H  
HETATM   23  H6  UNL     1       0.640  -0.404  -3.737  1.00  0.00           H  
HETATM   24  H7  UNL     1      -1.706   0.350  -3.032  1.00  0.00           H  
HETATM   25  H8  UNL     1      -2.824   1.373  -0.832  1.00  0.00           H  
HETATM   26  H9  UNL     1      -1.658   1.851   0.472  1.00  0.00           H  
HETATM   27  H10 UNL     1      -1.806  -0.537   1.348  1.00  0.00           H  
HETATM   28  H11 UNL     1      -3.578  -0.687  -1.039  1.00  0.00           H  
HETATM   29  H12 UNL     1      -2.256  -1.719  -0.660  1.00  0.00           H  
HETATM   30  H13 UNL     1      -5.408  -0.657   0.589  1.00  0.00           H  
HETATM   31  H14 UNL     1       0.450   0.726   1.473  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3
CONECT    3    4    4   17
CONECT    4    5   21
CONECT    5    6    6   22
CONECT    6    7   16
CONECT    7    8   23
CONECT    8    9    9   24
CONECT    9   10   16
CONECT   10   11   25   26
CONECT   11   12   13   27
CONECT   12   28   29
CONECT   13   14   14   15
CONECT   15   30
CONECT   16   17   17
CONECT   17   31
END