COMPND    HMDB0039638
HETATM    1  C1  UNL     1      -2.636   0.442  -0.030  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.293  -0.865  -0.292  1.00  0.00           C  
HETATM    3  C3  UNL     1      -0.964  -1.230  -0.307  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.063  -0.336  -0.069  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.302   0.975   0.194  1.00  0.00           C  
HETATM    6  C6  UNL     1      -1.633   1.343   0.209  1.00  0.00           C  
HETATM    7  N1  UNL     1       0.829   1.667   0.394  1.00  0.00           N  
HETATM    8  C7  UNL     1       1.887   0.819   0.264  1.00  0.00           C  
HETATM    9  S1  UNL     1       3.581   0.635   0.304  1.00  0.00           S  
HETATM   10  N2  UNL     1       3.688  -1.006  -0.040  1.00  0.00           N  
HETATM   11  C8  UNL     1       2.425  -1.389  -0.182  1.00  0.00           C  
HETATM   12  C9  UNL     1       1.464  -0.445  -0.026  1.00  0.00           C  
HETATM   13  H1  UNL     1      -3.690   0.710  -0.023  1.00  0.00           H  
HETATM   14  H2  UNL     1      -3.026  -1.635  -0.491  1.00  0.00           H  
HETATM   15  H3  UNL     1      -0.656  -2.262  -0.513  1.00  0.00           H  
HETATM   16  H4  UNL     1      -1.897   2.365   0.414  1.00  0.00           H  
HETATM   17  H5  UNL     1       0.941   2.674   0.614  1.00  0.00           H  
HETATM   18  H6  UNL     1       2.220  -2.463  -0.420  1.00  0.00           H  
CONECT    1    2    2    6   13
CONECT    2    3   14
CONECT    3    4    4   15
CONECT    4    5   12
CONECT    5    6    6    7
CONECT    6   16
CONECT    7    8   17
CONECT    8    9   12   12
CONECT    9   10
CONECT   10   11   11
CONECT   11   12   18
END