COMPND    HMDB0038631
HETATM    1  C1  UNL     1      -3.228   0.956  -0.639  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.082   1.661  -0.940  1.00  0.00           C  
HETATM    3  C3  UNL     1      -0.839   1.189  -0.642  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.706  -0.036  -0.016  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.411  -0.734   0.391  1.00  0.00           C  
HETATM    6  C6  UNL     1       1.805  -0.339   0.258  1.00  0.00           C  
HETATM    7  N1  UNL     1       2.279   0.757  -0.274  1.00  0.00           N  
HETATM    8  C7  UNL     1       3.558   0.967  -0.319  1.00  0.00           C  
HETATM    9  C8  UNL     1       4.382   0.006   0.207  1.00  0.00           C  
HETATM   10  S1  UNL     1       3.220  -1.160   0.742  1.00  0.00           S  
HETATM   11  C9  UNL     1      -0.080  -1.889   0.952  1.00  0.00           C  
HETATM   12  N2  UNL     1      -1.418  -1.882   0.885  1.00  0.00           N  
HETATM   13  C10 UNL     1      -1.858  -0.735   0.283  1.00  0.00           C  
HETATM   14  C11 UNL     1      -3.116  -0.263  -0.016  1.00  0.00           C  
HETATM   15  H1  UNL     1      -4.212   1.374  -0.897  1.00  0.00           H  
HETATM   16  H2  UNL     1      -2.132   2.639  -1.438  1.00  0.00           H  
HETATM   17  H3  UNL     1       0.082   1.716  -0.865  1.00  0.00           H  
HETATM   18  H4  UNL     1       3.990   1.884  -0.763  1.00  0.00           H  
HETATM   19  H5  UNL     1       5.483   0.005   0.260  1.00  0.00           H  
HETATM   20  H6  UNL     1       0.540  -2.661   1.373  1.00  0.00           H  
HETATM   21  H7  UNL     1      -2.103  -2.602   1.216  1.00  0.00           H  
HETATM   22  H8  UNL     1      -3.977  -0.854   0.242  1.00  0.00           H  
CONECT    1    2    2   14   15
CONECT    2    3   16
CONECT    3    4    4   17
CONECT    4    5   13
CONECT    5    6   11   11
CONECT    6    7    7   10
CONECT    7    8
CONECT    8    9    9   18
CONECT    9   10   19
CONECT   11   12   20
CONECT   12   13   21
CONECT   13   14   14
CONECT   14   22
END