COMPND    HMDB0028850
HETATM    1  N1  UNL     1       2.933  -1.630  -0.870  1.00  0.00           N  
HETATM    2  C1  UNL     1       2.310  -0.355  -1.150  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.319   0.027  -0.106  1.00  0.00           C  
HETATM    4  O1  UNL     1       1.776   0.164   1.186  1.00  0.00           O  
HETATM    5  N2  UNL     1       0.099   0.205  -0.467  1.00  0.00           N  
HETATM    6  C3  UNL     1      -0.978   0.570   0.386  1.00  0.00           C  
HETATM    7  C4  UNL     1      -1.956  -0.610   0.426  1.00  0.00           C  
HETATM    8  O2  UNL     1      -1.334  -1.753   0.917  1.00  0.00           O  
HETATM    9  C5  UNL     1      -1.723   1.705  -0.205  1.00  0.00           C  
HETATM   10  O3  UNL     1      -1.345   2.174  -1.304  1.00  0.00           O  
HETATM   11  O4  UNL     1      -2.821   2.263   0.416  1.00  0.00           O  
HETATM   12  H1  UNL     1       2.184  -2.365  -0.940  1.00  0.00           H  
HETATM   13  H2  UNL     1       3.312  -1.632   0.102  1.00  0.00           H  
HETATM   14  H3  UNL     1       1.868  -0.411  -2.161  1.00  0.00           H  
HETATM   15  H4  UNL     1       3.069   0.463  -1.163  1.00  0.00           H  
HETATM   16  H5  UNL     1       1.410   0.880   1.774  1.00  0.00           H  
HETATM   17  H6  UNL     1      -0.674   0.769   1.434  1.00  0.00           H  
HETATM   18  H7  UNL     1      -2.848  -0.320   1.020  1.00  0.00           H  
HETATM   19  H8  UNL     1      -2.312  -0.735  -0.618  1.00  0.00           H  
HETATM   20  H9  UNL     1      -1.569  -2.487   0.301  1.00  0.00           H  
HETATM   21  H10 UNL     1      -2.718   3.078   1.025  1.00  0.00           H  
CONECT    1    2   12   13
CONECT    2    3   14   15
CONECT    3    4    5    5
CONECT    4   16
CONECT    5    6
CONECT    6    7    9   17
CONECT    7    8   18   19
CONECT    8   20
CONECT    9   10   10   11
CONECT   11   21
END