COMPND    HMDB0034228
HETATM    1  C1  UNL     1       4.153   0.437  -0.026  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.703   0.578   0.288  1.00  0.00           C  
HETATM    3  O1  UNL     1       2.393   1.388   1.175  1.00  0.00           O  
HETATM    4  N1  UNL     1       1.710  -0.167  -0.379  1.00  0.00           N  
HETATM    5  C3  UNL     1       0.329  -0.126  -0.178  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.469   0.626   0.703  1.00  0.00           C  
HETATM    7  S1  UNL     1      -0.192   1.809   1.913  1.00  0.00           S  
HETATM    8  S2  UNL     1      -2.173   2.068   2.413  1.00  0.00           S  
HETATM    9  C5  UNL     1      -2.782   0.938   1.297  1.00  0.00           C  
HETATM   10  C6  UNL     1      -1.856   0.294   0.515  1.00  0.00           C  
HETATM   11  N2  UNL     1      -1.823  -0.651  -0.482  1.00  0.00           N  
HETATM   12  C7  UNL     1      -3.009  -1.301  -1.027  1.00  0.00           C  
HETATM   13  C8  UNL     1      -0.568  -0.896  -0.882  1.00  0.00           C  
HETATM   14  O2  UNL     1      -0.237  -1.733  -1.799  1.00  0.00           O  
HETATM   15  H1  UNL     1       4.337   0.012  -1.020  1.00  0.00           H  
HETATM   16  H2  UNL     1       4.553  -0.298   0.719  1.00  0.00           H  
HETATM   17  H3  UNL     1       4.634   1.420   0.098  1.00  0.00           H  
HETATM   18  H4  UNL     1       2.119  -0.833  -1.125  1.00  0.00           H  
HETATM   19  H5  UNL     1      -3.891   0.766   1.244  1.00  0.00           H  
HETATM   20  H6  UNL     1      -3.483  -0.574  -1.731  1.00  0.00           H  
HETATM   21  H7  UNL     1      -2.719  -2.226  -1.531  1.00  0.00           H  
HETATM   22  H8  UNL     1      -3.728  -1.530  -0.186  1.00  0.00           H  
CONECT    1    2   15   16   17
CONECT    2    3    3    4
CONECT    4    5   18
CONECT    5    6    6   13
CONECT    6    7   10
CONECT    7    8
CONECT    8    9
CONECT    9   10   10   19
CONECT   10   11
CONECT   11   12   13
CONECT   12   20   21   22
CONECT   13   14   14
END