COMPND    HMDB0062188
HETATM    1  O1  UNL     1      -2.878   2.351   0.083  1.00  0.00           O  
HETATM    2  N1  UNL     1      -1.705   2.053   0.469  1.00  0.00           N1+
HETATM    3  O2  UNL     1      -1.001   3.046   1.036  1.00  0.00           O1-
HETATM    4  C1  UNL     1      -1.291   0.726   0.257  1.00  0.00           C  
HETATM    5  C2  UNL     1      -2.238  -0.314   0.242  1.00  0.00           C  
HETATM    6  C3  UNL     1      -1.889  -1.612   0.038  1.00  0.00           C  
HETATM    7  C4  UNL     1      -0.572  -1.955  -0.165  1.00  0.00           C  
HETATM    8  C5  UNL     1       0.369  -0.945  -0.154  1.00  0.00           C  
HETATM    9  C6  UNL     1       1.686  -1.303  -0.367  1.00  0.00           C  
HETATM   10  C7  UNL     1       2.692  -0.368  -0.383  1.00  0.00           C  
HETATM   11  C8  UNL     1       2.337   0.936  -0.178  1.00  0.00           C  
HETATM   12  C9  UNL     1       1.039   1.344   0.039  1.00  0.00           C  
HETATM   13  C10 UNL     1       0.035   0.402   0.055  1.00  0.00           C  
HETATM   14  H1  UNL     1      -3.264  -0.046   0.400  1.00  0.00           H  
HETATM   15  H2  UNL     1      -2.662  -2.371   0.036  1.00  0.00           H  
HETATM   16  H3  UNL     1      -0.259  -2.997  -0.329  1.00  0.00           H  
HETATM   17  H4  UNL     1       1.949  -2.337  -0.526  1.00  0.00           H  
HETATM   18  H5  UNL     1       3.702  -0.676  -0.548  1.00  0.00           H  
HETATM   19  H6  UNL     1       3.109   1.687  -0.186  1.00  0.00           H  
HETATM   20  H7  UNL     1       0.840   2.378   0.180  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    4    5    5   13
CONECT    5    6   14
CONECT    6    7    7   15
CONECT    7    8   16
CONECT    8    9    9   13
CONECT    9   10   17
CONECT   10   11   11   18
CONECT   11   12   19
CONECT   12   13   13   20
END