COMPND    HMDB0001430
HETATM    1  O1  UNL     1       4.017   1.530  -0.253  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.970   0.870  -0.083  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.668   1.280  -0.594  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.573   0.564  -0.401  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.851   0.728  -0.793  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.570  -0.115   0.218  1.00  0.00           C  
HETATM    7  C6  UNL     1      -2.921  -0.533  -0.226  1.00  0.00           C  
HETATM    8  O2  UNL     1      -3.228  -1.732  -0.412  1.00  0.00           O  
HETATM    9  O3  UNL     1      -3.858   0.470  -0.435  1.00  0.00           O  
HETATM   10  N1  UNL     1      -0.686  -1.246   0.400  1.00  0.00           N  
HETATM   11  C7  UNL     1       0.643  -0.685   0.346  1.00  0.00           C  
HETATM   12  C8  UNL     1       1.798  -1.123   0.843  1.00  0.00           C  
HETATM   13  C9  UNL     1       3.051  -0.390   0.673  1.00  0.00           C  
HETATM   14  O4  UNL     1       4.143  -0.794   1.137  1.00  0.00           O  
HETATM   15  H1  UNL     1       1.636   2.224  -1.155  1.00  0.00           H  
HETATM   16  H2  UNL     1      -0.942   0.289  -1.818  1.00  0.00           H  
HETATM   17  H3  UNL     1      -1.167   1.790  -0.777  1.00  0.00           H  
HETATM   18  H4  UNL     1      -1.639   0.467   1.160  1.00  0.00           H  
HETATM   19  H5  UNL     1      -4.576   0.720   0.230  1.00  0.00           H  
HETATM   20  H6  UNL     1      -0.883  -2.256   0.543  1.00  0.00           H  
HETATM   21  H7  UNL     1       1.822  -2.058   1.396  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   13
CONECT    3    4    4   15
CONECT    4    5   11
CONECT    5    6   16   17
CONECT    6    7   10   18
CONECT    7    8    8    9
CONECT    9   19
CONECT   10   11   20
CONECT   11   12   12
CONECT   12   13   21
CONECT   13   14   14
END