RESIDUE   TXB     20
CONECT      S4     2 C4   HS4 
CONECT      C4     4 S4   C5   C3   H4  
CONECT      C5     4 C4   O5   H51C H52C
CONECT      O5     2 C5   C1  
CONECT      C1     4 O5   O1   C2   H1  
CONECT      O1     2 C1   HA  
CONECT      C2     4 C1   O2   C3   H2  
CONECT      O2     2 C2   HB  
CONECT      C3     4 C4   C2   O3   H3  
CONECT      O3     2 C3   HC  
CONECT      HS4    1 S4  
CONECT      H4     1 C4  
CONECT      H51C   1 C5  
CONECT      H52C   1 C5  
CONECT      H3     1 C3  
CONECT      H1     1 C1  
CONECT      HA     1 O1  
CONECT      H2     1 C2  
CONECT      HB     1 O2  
CONECT      HC     1 O3  
END   
HET    TXB             20
HETSYN     TXB THIOXYLOPYRANOSE
HETNAM     TXB (2S,3R,4R,5R)-5-sulfanyloxane-2,3,4-triol
FORMUL      TXB    C5 H10 O4 S1