COMPND    HMDB0061143
HETATM    1  C1  UNL     1       3.303  -0.144   1.258  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.893  -0.049  -0.165  1.00  0.00           C  
HETATM    3  N1  UNL     1       1.609  -0.196  -0.398  1.00  0.00           N  
HETATM    4  N2  UNL     1       0.722  -0.423   0.648  1.00  0.00           N  
HETATM    5  C3  UNL     1      -0.555  -1.010   0.580  1.00  0.00           C  
HETATM    6  N3  UNL     1      -0.821  -2.266   0.921  1.00  0.00           N  
HETATM    7  N4  UNL     1      -2.037  -2.750   0.863  1.00  0.00           N  
HETATM    8  C4  UNL     1      -3.075  -2.004   0.455  1.00  0.00           C  
HETATM    9  C5  UNL     1      -2.851  -0.700   0.090  1.00  0.00           C  
HETATM   10  C6  UNL     1      -3.868   0.138  -0.354  1.00  0.00           C  
HETATM   11  C7  UNL     1      -3.593   1.445  -0.723  1.00  0.00           C  
HETATM   12  C8  UNL     1      -2.330   1.945  -0.662  1.00  0.00           C  
HETATM   13  C9  UNL     1      -1.295   1.128  -0.220  1.00  0.00           C  
HETATM   14  C10 UNL     1      -1.584  -0.167   0.142  1.00  0.00           C  
HETATM   15  C11 UNL     1       3.852   0.210  -1.208  1.00  0.00           C  
HETATM   16  O1  UNL     1       3.632   0.323  -2.418  1.00  0.00           O  
HETATM   17  O2  UNL     1       5.202   0.349  -0.801  1.00  0.00           O  
HETATM   18  H1  UNL     1       2.882   0.700   1.839  1.00  0.00           H  
HETATM   19  H2  UNL     1       4.407  -0.261   1.359  1.00  0.00           H  
HETATM   20  H3  UNL     1       2.842  -1.081   1.659  1.00  0.00           H  
HETATM   21  H4  UNL     1       1.040  -0.109   1.609  1.00  0.00           H  
HETATM   22  H5  UNL     1      -4.083  -2.412   0.408  1.00  0.00           H  
HETATM   23  H6  UNL     1      -4.865  -0.285  -0.392  1.00  0.00           H  
HETATM   24  H7  UNL     1      -4.395   2.102  -1.074  1.00  0.00           H  
HETATM   25  H8  UNL     1      -2.071   2.972  -0.949  1.00  0.00           H  
HETATM   26  H9  UNL     1      -0.285   1.508  -0.165  1.00  0.00           H  
HETATM   27  H10 UNL     1       5.324   1.035  -0.038  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3    3   15
CONECT    3    4
CONECT    4    5   21
CONECT    5    6    6   14
CONECT    6    7
CONECT    7    8    8
CONECT    8    9   22
CONECT    9   10   10   14
CONECT   10   11   23
CONECT   11   12   12   24
CONECT   12   13   25
CONECT   13   14   14   26
CONECT   15   16   16   17
CONECT   17   27
END