COMPND    HMDB0003831
HETATM    1  N1  UNL     1       1.093  -2.260   0.740  1.00  0.00           N  
HETATM    2  C1  UNL     1       1.100  -0.838   0.676  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.149  -0.307  -0.299  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.123   1.171  -0.333  1.00  0.00           C  
HETATM    5  O1  UNL     1       1.054   1.768  -0.610  1.00  0.00           O  
HETATM    6  O2  UNL     1       3.261   1.954  -0.063  1.00  0.00           O  
HETATM    7  C4  UNL     1      -0.255  -0.343   0.354  1.00  0.00           C  
HETATM    8  C5  UNL     1      -0.846   0.706   1.030  1.00  0.00           C  
HETATM    9  C6  UNL     1      -2.088   1.183   0.752  1.00  0.00           C  
HETATM   10  C7  UNL     1      -2.804   0.587  -0.262  1.00  0.00           C  
HETATM   11  O3  UNL     1      -4.078   1.022  -0.597  1.00  0.00           O  
HETATM   12  C8  UNL     1      -2.266  -0.481  -0.987  1.00  0.00           C  
HETATM   13  C9  UNL     1      -0.993  -0.928  -0.663  1.00  0.00           C  
HETATM   14  H1  UNL     1       1.407  -2.730  -0.120  1.00  0.00           H  
HETATM   15  H2  UNL     1       1.387  -2.668   1.625  1.00  0.00           H  
HETATM   16  H3  UNL     1       1.430  -0.470   1.690  1.00  0.00           H  
HETATM   17  H4  UNL     1       1.946  -0.662  -1.340  1.00  0.00           H  
HETATM   18  H5  UNL     1       3.168  -0.606   0.003  1.00  0.00           H  
HETATM   19  H6  UNL     1       3.996   1.595   0.540  1.00  0.00           H  
HETATM   20  H7  UNL     1      -0.293   1.190   1.834  1.00  0.00           H  
HETATM   21  H8  UNL     1      -2.571   2.014   1.277  1.00  0.00           H  
HETATM   22  H9  UNL     1      -4.483   1.789  -0.084  1.00  0.00           H  
HETATM   23  H10 UNL     1      -2.829  -0.935  -1.769  1.00  0.00           H  
HETATM   24  H11 UNL     1      -0.609  -1.753  -1.239  1.00  0.00           H  
CONECT    1    2   14   15
CONECT    2    3    7   16
CONECT    3    4   17   18
CONECT    4    5    5    6
CONECT    6   19
CONECT    7    8    8   13
CONECT    8    9   20
CONECT    9   10   10   21
CONECT   10   11   12
CONECT   11   22
CONECT   12   13   13   23
CONECT   13   24
END