COMPND    HMDB0040249
HETATM    1  N1  UNL     1      -2.395   1.657  -1.820  1.00  0.00           N  
HETATM    2  C1  UNL     1      -2.092   0.799  -0.680  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.938  -0.080  -1.117  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.516  -1.025  -0.030  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.073  -2.298   0.111  1.00  0.00           C  
HETATM    6  N2  UNL     1      -0.479  -2.826   1.176  1.00  0.00           N  
HETATM    7  C5  UNL     1       0.403  -1.970   1.702  1.00  0.00           C  
HETATM    8  N3  UNL     1       0.373  -0.852   0.943  1.00  0.00           N  
HETATM    9  C6  UNL     1       1.190   0.331   1.134  1.00  0.00           C  
HETATM   10  C7  UNL     1       2.530   0.247   0.509  1.00  0.00           C  
HETATM   11  N4  UNL     1       3.265   1.486   0.750  1.00  0.00           N  
HETATM   12  C8  UNL     1       2.595  -0.064  -0.911  1.00  0.00           C  
HETATM   13  O1  UNL     1       2.104  -1.098  -1.444  1.00  0.00           O  
HETATM   14  O2  UNL     1       3.238   0.819  -1.776  1.00  0.00           O  
HETATM   15  C9  UNL     1      -3.310   0.053  -0.340  1.00  0.00           C  
HETATM   16  O3  UNL     1      -4.368   0.188  -0.995  1.00  0.00           O  
HETATM   17  O4  UNL     1      -3.319  -0.829   0.728  1.00  0.00           O  
HETATM   18  H1  UNL     1      -3.392   1.987  -1.799  1.00  0.00           H  
HETATM   19  H2  UNL     1      -1.743   2.458  -1.901  1.00  0.00           H  
HETATM   20  H3  UNL     1      -1.778   1.484   0.139  1.00  0.00           H  
HETATM   21  H4  UNL     1      -0.126   0.616  -1.394  1.00  0.00           H  
HETATM   22  H5  UNL     1      -1.252  -0.618  -2.023  1.00  0.00           H  
HETATM   23  H6  UNL     1      -1.821  -2.782  -0.493  1.00  0.00           H  
HETATM   24  H7  UNL     1       1.049  -2.085   2.566  1.00  0.00           H  
HETATM   25  H8  UNL     1       1.322   0.471   2.225  1.00  0.00           H  
HETATM   26  H9  UNL     1       0.653   1.255   0.775  1.00  0.00           H  
HETATM   27  H10 UNL     1       3.117  -0.548   1.051  1.00  0.00           H  
HETATM   28  H11 UNL     1       2.576   2.223   0.958  1.00  0.00           H  
HETATM   29  H12 UNL     1       3.910   1.708  -0.024  1.00  0.00           H  
HETATM   30  H13 UNL     1       4.252   0.871  -1.853  1.00  0.00           H  
HETATM   31  H14 UNL     1      -3.975  -1.576   0.778  1.00  0.00           H  
CONECT    1    2   18   19
CONECT    2    3   15   20
CONECT    3    4   21   22
CONECT    4    5    5    8
CONECT    5    6   23
CONECT    6    7    7
CONECT    7    8   24
CONECT    8    9
CONECT    9   10   25   26
CONECT   10   11   12   27
CONECT   11   28   29
CONECT   12   13   13   14
CONECT   14   30
CONECT   15   16   16   17
CONECT   17   31
END