COMPND    HMDB0014798
HETATM    1  C1  UNL     1      -3.578  -0.399  -2.928  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.779  -0.025  -1.736  1.00  0.00           C  
HETATM    3  C3  UNL     1      -3.243   0.804  -0.739  1.00  0.00           C  
HETATM    4  C4  UNL     1      -2.449   1.113   0.343  1.00  0.00           C  
HETATM    5  C5  UNL     1      -2.933   2.004   1.426  1.00  0.00           C  
HETATM    6  C6  UNL     1      -1.170   0.571   0.410  1.00  0.00           C  
HETATM    7  C7  UNL     1      -0.682  -0.262  -0.575  1.00  0.00           C  
HETATM    8  O1  UNL     1       0.602  -0.764  -0.440  1.00  0.00           O  
HETATM    9  C8  UNL     1       1.402  -0.444   0.665  1.00  0.00           C  
HETATM   10  C9  UNL     1       2.759  -1.094   0.614  1.00  0.00           C  
HETATM   11  C10 UNL     1       3.544  -0.577   1.819  1.00  0.00           C  
HETATM   12  N1  UNL     1       4.886  -0.450   1.293  1.00  0.00           N  
HETATM   13  C11 UNL     1       4.826  -0.651  -0.113  1.00  0.00           C  
HETATM   14  O2  UNL     1       5.851  -0.745  -0.850  1.00  0.00           O  
HETATM   15  O3  UNL     1       3.499  -0.723  -0.510  1.00  0.00           O  
HETATM   16  C12 UNL     1      -1.494  -0.556  -1.648  1.00  0.00           C  
HETATM   17  H1  UNL     1      -4.679  -0.297  -2.746  1.00  0.00           H  
HETATM   18  H2  UNL     1      -3.431  -1.479  -3.179  1.00  0.00           H  
HETATM   19  H3  UNL     1      -3.344   0.254  -3.791  1.00  0.00           H  
HETATM   20  H4  UNL     1      -4.245   1.195  -0.846  1.00  0.00           H  
HETATM   21  H5  UNL     1      -2.167   2.816   1.535  1.00  0.00           H  
HETATM   22  H6  UNL     1      -2.995   1.510   2.405  1.00  0.00           H  
HETATM   23  H7  UNL     1      -3.900   2.451   1.097  1.00  0.00           H  
HETATM   24  H8  UNL     1      -0.533   0.802   1.253  1.00  0.00           H  
HETATM   25  H9  UNL     1       1.495   0.670   0.685  1.00  0.00           H  
HETATM   26  H10 UNL     1       0.864  -0.787   1.572  1.00  0.00           H  
HETATM   27  H11 UNL     1       2.661  -2.179   0.690  1.00  0.00           H  
HETATM   28  H12 UNL     1       3.139   0.394   2.178  1.00  0.00           H  
HETATM   29  H13 UNL     1       3.474  -1.316   2.645  1.00  0.00           H  
HETATM   30  H14 UNL     1       5.736  -0.242   1.895  1.00  0.00           H  
HETATM   31  H15 UNL     1      -1.114  -1.212  -2.425  1.00  0.00           H  
CONECT    1    2   17   18   19
CONECT    2    3    3   16
CONECT    3    4   20
CONECT    4    5    6    6
CONECT    5   21   22   23
CONECT    6    7   24
CONECT    7    8   16   16
CONECT    8    9
CONECT    9   10   25   26
CONECT   10   11   15   27
CONECT   11   12   28   29
CONECT   12   13   30
CONECT   13   14   14   15
CONECT   16   31
END