COMPND    HMDB0062811
HETATM    1  C1  UNL     1       2.945  -0.820  -0.639  1.00  0.00           C  
HETATM    2  N1  UNL     1       2.190  -1.005   0.547  1.00  0.00           N  
HETATM    3  C2  UNL     1       1.804   0.171   1.247  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.819   1.038   0.579  1.00  0.00           C  
HETATM    5  O1  UNL     1       0.519   2.173   1.345  1.00  0.00           O  
HETATM    6  C4  UNL     1      -0.435   0.427   0.124  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.376   1.287  -0.427  1.00  0.00           C  
HETATM    8  C6  UNL     1      -2.595   0.844  -0.888  1.00  0.00           C  
HETATM    9  C7  UNL     1      -2.942  -0.486  -0.824  1.00  0.00           C  
HETATM   10  O2  UNL     1      -4.159  -0.977  -1.277  1.00  0.00           O  
HETATM   11  C8  UNL     1      -2.012  -1.342  -0.278  1.00  0.00           C  
HETATM   12  C9  UNL     1      -0.773  -0.896   0.192  1.00  0.00           C  
HETATM   13  H1  UNL     1       3.718  -0.054  -0.556  1.00  0.00           H  
HETATM   14  H2  UNL     1       2.341  -0.603  -1.543  1.00  0.00           H  
HETATM   15  H3  UNL     1       3.461  -1.799  -0.868  1.00  0.00           H  
HETATM   16  H4  UNL     1       2.393  -1.836   1.099  1.00  0.00           H  
HETATM   17  H5  UNL     1       2.743   0.792   1.373  1.00  0.00           H  
HETATM   18  H6  UNL     1       1.540  -0.128   2.285  1.00  0.00           H  
HETATM   19  H7  UNL     1       1.318   1.441  -0.353  1.00  0.00           H  
HETATM   20  H8  UNL     1       0.328   2.917   0.723  1.00  0.00           H  
HETATM   21  H9  UNL     1      -1.188   2.359  -0.519  1.00  0.00           H  
HETATM   22  H10 UNL     1      -3.339   1.524  -1.324  1.00  0.00           H  
HETATM   23  H11 UNL     1      -4.988  -1.055  -0.704  1.00  0.00           H  
HETATM   24  H12 UNL     1      -2.236  -2.396  -0.205  1.00  0.00           H  
HETATM   25  H13 UNL     1      -0.079  -1.578   0.609  1.00  0.00           H  
CONECT    1    2   13   14   15
CONECT    2    3   16
CONECT    3    4   17   18
CONECT    4    5    6   19
CONECT    5   20
CONECT    6    7    7   12
CONECT    7    8   21
CONECT    8    9    9   22
CONECT    9   10   11
CONECT   10   23
CONECT   11   12   12   24
CONECT   12   25
END