COMPND    HMDB0253351
HETATM    1  C1  UNL     1      -1.520  -1.359  -1.189  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.287  -0.880   0.224  1.00  0.00           C  
HETATM    3  S1  UNL     1      -2.843  -0.528   1.080  1.00  0.00           S  
HETATM    4  C3  UNL     1      -3.255   1.122   0.467  1.00  0.00           C  
HETATM    5  O1  UNL     1      -4.377   1.462   0.076  1.00  0.00           O  
HETATM    6  N1  UNL     1      -2.109   1.992   0.490  1.00  0.00           N  
HETATM    7  N2  UNL     1      -0.839   1.483   0.398  1.00  0.00           N  
HETATM    8  C4  UNL     1      -0.417   0.302   0.285  1.00  0.00           C  
HETATM    9  C5  UNL     1       1.066   0.090   0.203  1.00  0.00           C  
HETATM   10  C6  UNL     1       1.621  -1.154   0.048  1.00  0.00           C  
HETATM   11  C7  UNL     1       3.020  -1.259  -0.013  1.00  0.00           C  
HETATM   12  N3  UNL     1       3.804  -0.179   0.076  1.00  0.00           N  
HETATM   13  C8  UNL     1       3.273   1.047   0.227  1.00  0.00           C  
HETATM   14  C9  UNL     1       1.913   1.172   0.289  1.00  0.00           C  
HETATM   15  H1  UNL     1      -1.724  -2.428  -1.151  1.00  0.00           H  
HETATM   16  H2  UNL     1      -0.698  -1.054  -1.850  1.00  0.00           H  
HETATM   17  H3  UNL     1      -2.444  -0.838  -1.546  1.00  0.00           H  
HETATM   18  H4  UNL     1      -0.775  -1.728   0.771  1.00  0.00           H  
HETATM   19  H5  UNL     1      -2.267   3.017   0.577  1.00  0.00           H  
HETATM   20  H6  UNL     1       1.001  -2.033  -0.029  1.00  0.00           H  
HETATM   21  H7  UNL     1       3.406  -2.263  -0.135  1.00  0.00           H  
HETATM   22  H8  UNL     1       3.971   1.870   0.291  1.00  0.00           H  
HETATM   23  H9  UNL     1       1.479   2.145   0.409  1.00  0.00           H  
CONECT    1    2   15   16   17
CONECT    2    3    8   18
CONECT    3    4
CONECT    4    5    5    6
CONECT    6    7   19
CONECT    7    8    8
CONECT    8    9
CONECT    9   10   10   14
CONECT   10   11   20
CONECT   11   12   12   21
CONECT   12   13
CONECT   13   14   14   22
CONECT   14   23
END