COMPND    HMDB0033352
HETATM    1  C1  UNL     1       5.280   0.478   0.437  1.00  0.00           C  
HETATM    2  S1  UNL     1       4.254  -0.376   1.662  1.00  0.00           S  
HETATM    3  C2  UNL     1       2.605  -0.623   0.991  1.00  0.00           C  
HETATM    4  N1  UNL     1       2.278  -0.237  -0.158  1.00  0.00           N  
HETATM    5  C3  UNL     1       1.047  -0.348  -0.828  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.154  -0.392   0.019  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.221  -0.855   1.304  1.00  0.00           C  
HETATM    8  N2  UNL     1      -1.446  -0.767   1.804  1.00  0.00           N  
HETATM    9  C6  UNL     1      -2.211  -0.231   0.823  1.00  0.00           C  
HETATM   10  C7  UNL     1      -3.562   0.071   0.826  1.00  0.00           C  
HETATM   11  C8  UNL     1      -4.177   0.628  -0.302  1.00  0.00           C  
HETATM   12  C9  UNL     1      -3.407   0.871  -1.417  1.00  0.00           C  
HETATM   13  C10 UNL     1      -2.067   0.562  -1.394  1.00  0.00           C  
HETATM   14  C11 UNL     1      -1.450   0.011  -0.285  1.00  0.00           C  
HETATM   15  S2  UNL     1       1.341  -1.457   1.987  1.00  0.00           S  
HETATM   16  H1  UNL     1       6.339   0.191   0.592  1.00  0.00           H  
HETATM   17  H2  UNL     1       5.111   1.548   0.548  1.00  0.00           H  
HETATM   18  H3  UNL     1       4.993   0.068  -0.558  1.00  0.00           H  
HETATM   19  H4  UNL     1       0.938   0.414  -1.657  1.00  0.00           H  
HETATM   20  H5  UNL     1       1.073  -1.327  -1.393  1.00  0.00           H  
HETATM   21  H6  UNL     1      -1.756  -1.054   2.760  1.00  0.00           H  
HETATM   22  H7  UNL     1      -4.203  -0.105   1.682  1.00  0.00           H  
HETATM   23  H8  UNL     1      -5.226   0.866  -0.309  1.00  0.00           H  
HETATM   24  H9  UNL     1      -3.893   1.301  -2.279  1.00  0.00           H  
HETATM   25  H10 UNL     1      -1.487   0.764  -2.285  1.00  0.00           H  
CONECT    1    2   16   17   18
CONECT    2    3
CONECT    3    4    4   15
CONECT    4    5
CONECT    5    6   19   20
CONECT    6    7    7   14
CONECT    7    8   15
CONECT    8    9   21
CONECT    9   10   10   14
CONECT   10   11   22
CONECT   11   12   12   23
CONECT   12   13   24
CONECT   13   14   14   25
END