COMPND    HMDB0000755
HETATM    1  O1  UNL     1       2.756   0.910   0.844  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.369   0.664  -0.302  1.00  0.00           C  
HETATM    3  O2  UNL     1       2.231   1.774  -1.163  1.00  0.00           O  
HETATM    4  C2  UNL     1       2.044  -0.683  -0.831  1.00  0.00           C  
HETATM    5  O3  UNL     1       1.695  -0.636  -2.177  1.00  0.00           O  
HETATM    6  C3  UNL     1       1.032  -1.325   0.035  1.00  0.00           C  
HETATM    7  C4  UNL     1      -0.260  -0.694   0.204  1.00  0.00           C  
HETATM    8  C5  UNL     1      -0.423   0.180   1.268  1.00  0.00           C  
HETATM    9  C6  UNL     1      -1.649   0.818   1.470  1.00  0.00           C  
HETATM   10  C7  UNL     1      -2.730   0.615   0.641  1.00  0.00           C  
HETATM   11  O4  UNL     1      -3.950   1.232   0.818  1.00  0.00           O  
HETATM   12  C8  UNL     1      -2.535  -0.270  -0.421  1.00  0.00           C  
HETATM   13  C9  UNL     1      -1.350  -0.902  -0.636  1.00  0.00           C  
HETATM   14  H1  UNL     1       3.095   2.025  -1.645  1.00  0.00           H  
HETATM   15  H2  UNL     1       2.976  -1.283  -0.780  1.00  0.00           H  
HETATM   16  H3  UNL     1       2.486  -0.554  -2.761  1.00  0.00           H  
HETATM   17  H4  UNL     1       0.844  -2.370  -0.357  1.00  0.00           H  
HETATM   18  H5  UNL     1       1.475  -1.500   1.044  1.00  0.00           H  
HETATM   19  H6  UNL     1       0.348   0.412   1.982  1.00  0.00           H  
HETATM   20  H7  UNL     1      -1.791   1.505   2.299  1.00  0.00           H  
HETATM   21  H8  UNL     1      -4.118   2.123   0.370  1.00  0.00           H  
HETATM   22  H9  UNL     1      -3.352  -0.459  -1.094  1.00  0.00           H  
HETATM   23  H10 UNL     1      -1.193  -1.581  -1.446  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   14
CONECT    4    5    6   15
CONECT    5   16
CONECT    6    7   17   18
CONECT    7    8    8   13
CONECT    8    9   19
CONECT    9   10   10   20
CONECT   10   11   12
CONECT   11   21
CONECT   12   13   13   22
CONECT   13   23
END