COMPND    HMDB0040081
HETATM    1  C1  UNL     1      -2.636   1.954  -0.434  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.696   0.460  -0.257  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.310  -0.126  -0.090  1.00  0.00           C  
HETATM    4  N1  UNL     1      -0.236   0.503  -0.455  1.00  0.00           N  
HETATM    5  C4  UNL     1       0.945  -0.025  -0.299  1.00  0.00           C  
HETATM    6  C5  UNL     1       2.310   0.507  -0.676  1.00  0.00           C  
HETATM    7  C6  UNL     1       3.118  -0.708  -1.067  1.00  0.00           C  
HETATM    8  C7  UNL     1       3.020   1.129   0.510  1.00  0.00           C  
HETATM    9  S1  UNL     1       0.549  -1.537   0.420  1.00  0.00           S  
HETATM   10  C8  UNL     1      -1.147  -1.368   0.465  1.00  0.00           C  
HETATM   11  C9  UNL     1      -2.148  -2.349   0.979  1.00  0.00           C  
HETATM   12  H1  UNL     1      -1.677   2.289  -0.867  1.00  0.00           H  
HETATM   13  H2  UNL     1      -3.444   2.335  -1.103  1.00  0.00           H  
HETATM   14  H3  UNL     1      -2.770   2.499   0.544  1.00  0.00           H  
HETATM   15  H4  UNL     1      -3.320   0.247   0.618  1.00  0.00           H  
HETATM   16  H5  UNL     1      -3.174   0.049  -1.169  1.00  0.00           H  
HETATM   17  H6  UNL     1       2.220   1.247  -1.491  1.00  0.00           H  
HETATM   18  H7  UNL     1       4.154  -0.486  -1.331  1.00  0.00           H  
HETATM   19  H8  UNL     1       3.175  -1.326  -0.115  1.00  0.00           H  
HETATM   20  H9  UNL     1       2.578  -1.363  -1.778  1.00  0.00           H  
HETATM   21  H10 UNL     1       3.663   0.425   1.064  1.00  0.00           H  
HETATM   22  H11 UNL     1       3.717   1.893   0.053  1.00  0.00           H  
HETATM   23  H12 UNL     1       2.302   1.662   1.137  1.00  0.00           H  
HETATM   24  H13 UNL     1      -1.743  -3.397   0.902  1.00  0.00           H  
HETATM   25  H14 UNL     1      -3.033  -2.316   0.329  1.00  0.00           H  
HETATM   26  H15 UNL     1      -2.417  -2.199   2.018  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3   15   16
CONECT    3    4   10   10
CONECT    4    5    5
CONECT    5    6    9
CONECT    6    7    8   17
CONECT    7   18   19   20
CONECT    8   21   22   23
CONECT    9   10
CONECT   10   11
CONECT   11   24   25   26
END