COMPND    HMDB0032202
HETATM    1  C1  UNL     1       3.398   0.917   0.906  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.198   0.531  -0.501  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.983  -0.123  -0.936  1.00  0.00           C  
HETATM    4  S1  UNL     1       0.451   0.854  -0.610  1.00  0.00           S  
HETATM    5  C4  UNL     1      -0.591  -0.607  -0.682  1.00  0.00           C  
HETATM    6  C5  UNL     1      -2.041  -0.580  -0.903  1.00  0.00           C  
HETATM    7  C6  UNL     1      -2.744   0.208   0.187  1.00  0.00           C  
HETATM    8  C7  UNL     1      -4.232   0.163  -0.151  1.00  0.00           C  
HETATM    9  C8  UNL     1      -2.286   1.623   0.277  1.00  0.00           C  
HETATM   10  N1  UNL     1       0.139  -1.592  -0.514  1.00  0.00           N  
HETATM   11  C9  UNL     1       1.526  -1.395  -0.314  1.00  0.00           C  
HETATM   12  C10 UNL     1       1.802  -1.555   1.146  1.00  0.00           C  
HETATM   13  H1  UNL     1       4.214   1.717   0.976  1.00  0.00           H  
HETATM   14  H2  UNL     1       2.530   1.431   1.374  1.00  0.00           H  
HETATM   15  H3  UNL     1       3.820   0.092   1.506  1.00  0.00           H  
HETATM   16  H4  UNL     1       3.316   1.477  -1.121  1.00  0.00           H  
HETATM   17  H5  UNL     1       4.078  -0.088  -0.865  1.00  0.00           H  
HETATM   18  H6  UNL     1       1.945  -0.294  -2.059  1.00  0.00           H  
HETATM   19  H7  UNL     1      -2.318  -0.130  -1.898  1.00  0.00           H  
HETATM   20  H8  UNL     1      -2.513  -1.584  -0.909  1.00  0.00           H  
HETATM   21  H9  UNL     1      -2.619  -0.291   1.158  1.00  0.00           H  
HETATM   22  H10 UNL     1      -4.672  -0.795   0.154  1.00  0.00           H  
HETATM   23  H11 UNL     1      -4.774   1.022   0.287  1.00  0.00           H  
HETATM   24  H12 UNL     1      -4.397   0.240  -1.258  1.00  0.00           H  
HETATM   25  H13 UNL     1      -3.195   2.263   0.460  1.00  0.00           H  
HETATM   26  H14 UNL     1      -1.665   1.756   1.198  1.00  0.00           H  
HETATM   27  H15 UNL     1      -1.816   2.022  -0.629  1.00  0.00           H  
HETATM   28  H16 UNL     1       2.012  -2.250  -0.902  1.00  0.00           H  
HETATM   29  H17 UNL     1       1.574  -0.673   1.733  1.00  0.00           H  
HETATM   30  H18 UNL     1       1.075  -2.346   1.532  1.00  0.00           H  
HETATM   31  H19 UNL     1       2.803  -2.013   1.358  1.00  0.00           H  
CONECT    1    2   13   14   15
CONECT    2    3   16   17
CONECT    3    4   11   18
CONECT    4    5
CONECT    5    6   10   10
CONECT    6    7   19   20
CONECT    7    8    9   21
CONECT    8   22   23   24
CONECT    9   25   26   27
CONECT   10   11
CONECT   11   12   28
CONECT   12   29   30   31
END