RESIDUE   QBV     20
CONECT      C1     3 O1   C2   O2  
CONECT      O1     1 C1  
CONECT      C2     3 C1   C3   H2  
CONECT      C3     3 C2   C1'  H3  
CONECT      C1'    3 C3   C2'  C6' 
CONECT      C2'    3 C1'  C3'  H2' 
CONECT      C3'    3 C2'  C4'  BR  
CONECT      C4'    3 C3'  C5'  O4' 
CONECT      C5'    3 C4'  C6'  H1  
CONECT      C6'    3 C1'  C5'  H6' 
CONECT      O4'    2 C4'  H4  
CONECT      BR     1 C3' 
CONECT      O2     2 C1   H5  
CONECT      H2     1 C2  
CONECT      H3     1 C3  
CONECT      H2'    1 C2' 
CONECT      H1     1 C5' 
CONECT      H6'    1 C6' 
CONECT      H4     1 O4' 
CONECT      H5     1 O2  
END   
HET    QBV             20
HETNAM     QBV (2E)-3-(3-bromo-4-hydroxyphenyl)prop-2-enoic acid
FORMUL      QBV    C9 H7 Br O3