COMPND    HMDB0041083
HETATM    1  C1  UNL     1       3.495  -0.142   0.289  1.00  0.00           C  
HETATM    2  S1  UNL     1       2.196   0.682  -0.684  1.00  0.00           S  
HETATM    3  C2  UNL     1       0.800  -0.409  -0.854  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.322  -0.114  -0.229  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.603  -0.908  -0.251  1.00  0.00           C  
HETATM    6  C5  UNL     1      -2.632   0.048   0.296  1.00  0.00           C  
HETATM    7  N1  UNL     1      -1.925   1.181   0.814  1.00  0.00           N  
HETATM    8  C6  UNL     1      -0.522   1.058   0.609  1.00  0.00           C  
HETATM    9  S2  UNL     1       0.680   2.000   1.169  1.00  0.00           S  
HETATM   10  H1  UNL     1       3.038  -0.786   1.077  1.00  0.00           H  
HETATM   11  H2  UNL     1       4.128   0.652   0.714  1.00  0.00           H  
HETATM   12  H3  UNL     1       4.052  -0.802  -0.402  1.00  0.00           H  
HETATM   13  H4  UNL     1       0.845  -1.322  -1.465  1.00  0.00           H  
HETATM   14  H5  UNL     1      -1.863  -1.196  -1.296  1.00  0.00           H  
HETATM   15  H6  UNL     1      -1.470  -1.811   0.355  1.00  0.00           H  
HETATM   16  H7  UNL     1      -3.339   0.324  -0.501  1.00  0.00           H  
HETATM   17  H8  UNL     1      -3.174  -0.445   1.145  1.00  0.00           H  
HETATM   18  H9  UNL     1      -2.383   1.990   1.281  1.00  0.00           H  
CONECT    1    2   10   11   12
CONECT    2    3
CONECT    3    4    4   13
CONECT    4    5    8
CONECT    5    6   14   15
CONECT    6    7   16   17
CONECT    7    8   18
CONECT    8    9    9
END