RESIDUE   B1R     50
CONECT      N1     3 C3   C5   H1  
CONECT      S1     2 C2   C6  
CONECT      RU1   10 C14  C15  C16  C17 
CONECT      RU1   10 C18  C19  C20  C21 
CONECT      RU1   10 C22  C23 
CONECT      C2     4 S1   C4   C7   H2  
CONECT      N2     3 C3   C4   H3  
CONECT      C3     3 N1   N2   O3  
CONECT      O3     1 C3  
CONECT      C4     4 C2   N2   C5   H4  
CONECT      C5     4 N1   C4   C6   H5  
CONECT      C6     4 S1   C5   H6   H7  
CONECT      C7     4 C2   C8   H8   H9  
CONECT      C8     4 C7   C9   H10  H11 
CONECT      C9     4 C8   C10  H12  H13 
CONECT      C10    4 C9   C11  H14  H15 
CONECT      C11    3 C10  O12  C17 
CONECT      O12    1 C11 
CONECT      C14    4 RU1  C15  C18  H18 
CONECT      C15    4 RU1  C14  C16  H20 
CONECT      C16    4 RU1  C15  C17  H21 
CONECT      C17    4 RU1  C11  C16  C18 
CONECT      C18    4 RU1  C14  C17  H17 
CONECT      C19    4 RU1  C20  C23  H19 
CONECT      C20    4 RU1  C19  C21  H24 
CONECT      C21    4 RU1  C20  C22  H25 
CONECT      C22    4 RU1  C21  C23  H16 
CONECT      C23    4 RU1  C19  C22  H22 
CONECT      H1     1 N1  
CONECT      H2     1 C2  
CONECT      H3     1 N2  
CONECT      H4     1 C4  
CONECT      H5     1 C5  
CONECT      H6     1 C6  
CONECT      H7     1 C6  
CONECT      H8     1 C7  
CONECT      H9     1 C7  
CONECT      H10    1 C8  
CONECT      H11    1 C8  
CONECT      H12    1 C9  
CONECT      H13    1 C9  
CONECT      H14    1 C10 
CONECT      H15    1 C10 
CONECT      H16    1 C22 
CONECT      H17    1 C18 
CONECT      H18    1 C14 
CONECT      H20    1 C15 
CONECT      H21    1 C16 
CONECT      H19    1 C19 
CONECT      H22    1 C23 
CONECT      H24    1 C20 
CONECT      H25    1 C21 
END   
HET    B1R             50
HETSYN     B1R biotinylruthenocene
HETNAM     B1R [(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-1-{5
HETNAM   2 B1R -[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-
HETNAM   3 B1R 4-yl]pentanoyl}cyclopentadienyl]ruthenium
FORMUL      B1R    C20 H24 N2 O2 Ru S