COMPND    HMDB0011719
HETATM    1  C1  UNL     1      -1.363   2.705   0.430  1.00  0.00           C  
HETATM    2  O1  UNL     1      -1.712   1.431  -0.051  1.00  0.00           O  
HETATM    3  C2  UNL     1      -0.786   0.426  -0.199  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.534   0.646   0.127  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.496  -0.332  -0.004  1.00  0.00           C  
HETATM    6  C5  UNL     1       2.880  -0.029   0.361  1.00  0.00           C  
HETATM    7  C6  UNL     1       3.688   0.508  -0.763  1.00  0.00           C  
HETATM    8  O2  UNL     1       3.224   0.680  -1.905  1.00  0.00           O  
HETATM    9  O3  UNL     1       5.012   0.822  -0.503  1.00  0.00           O  
HETATM   10  C7  UNL     1       1.145  -1.572  -0.475  1.00  0.00           C  
HETATM   11  C8  UNL     1      -0.191  -1.814  -0.811  1.00  0.00           C  
HETATM   12  C9  UNL     1      -1.148  -0.809  -0.670  1.00  0.00           C  
HETATM   13  O4  UNL     1      -2.485  -1.017  -0.995  1.00  0.00           O  
HETATM   14  S1  UNL     1      -3.586  -1.593   0.173  1.00  0.00           S  
HETATM   15  O5  UNL     1      -2.864  -1.982   1.430  1.00  0.00           O  
HETATM   16  O6  UNL     1      -4.329  -2.794  -0.334  1.00  0.00           O  
HETATM   17  O7  UNL     1      -4.648  -0.318   0.514  1.00  0.00           O  
HETATM   18  H1  UNL     1      -0.774   3.240  -0.370  1.00  0.00           H  
HETATM   19  H2  UNL     1      -2.314   3.284   0.611  1.00  0.00           H  
HETATM   20  H3  UNL     1      -0.786   2.595   1.363  1.00  0.00           H  
HETATM   21  H4  UNL     1       0.788   1.630   0.496  1.00  0.00           H  
HETATM   22  H5  UNL     1       3.342  -0.952   0.773  1.00  0.00           H  
HETATM   23  H6  UNL     1       2.944   0.735   1.186  1.00  0.00           H  
HETATM   24  H7  UNL     1       5.645   0.214   0.011  1.00  0.00           H  
HETATM   25  H8  UNL     1       1.870  -2.376  -0.596  1.00  0.00           H  
HETATM   26  H9  UNL     1      -0.515  -2.779  -1.187  1.00  0.00           H  
HETATM   27  H10 UNL     1      -5.067  -0.549   1.387  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3
CONECT    3    4    4   12
CONECT    4    5   21
CONECT    5    6   10   10
CONECT    6    7   22   23
CONECT    7    8    8    9
CONECT    9   24
CONECT   10   11   25
CONECT   11   12   12   26
CONECT   12   13
CONECT   13   14
CONECT   14   15   15   16   16
CONECT   14   17
CONECT   17   27
END