RESIDUE   TOI     84
CONECT      O2P    2 C1P  H1  
CONECT      C1P    3 O2P  O1P  C2P 
CONECT      O1P    1 C1P 
CONECT      C2P    3 C1P  C3P  O3P 
CONECT      C3P    3 C2P  H2   H3  
CONECT      O3P    2 C2P  C5I 
CONECT      C5I    4 O3P  C6I  C4I  H4  
CONECT      C6I    4 C5I  O3I  C1I  H5  
CONECT      O3I    2 C6I  H6  
CONECT      C1I    4 C6I  CI   C2I  H7  
CONECT      CI     3 C1I  O2I  O1I 
CONECT      O2I    2 CI   H8  
CONECT      O1I    1 CI  
CONECT      C4I    3 C5I  C3I  H9  
CONECT      C3I    3 C4I  C2I  H11 
CONECT      C2I    4 C1I  C3I  C21  H13 
CONECT      C21    4 C2I  C3   O5   C2  
CONECT      C3     4 C21  C41  H14  H15 
CONECT      C41    4 C3   C51  H16  H17 
CONECT      C51    3 C41  O3   O4  
CONECT      O3     1 C51 
CONECT      O4     2 C51  H18 
CONECT      O5     2 C21  H19 
CONECT      C2     3 C21  S1   N3  
CONECT      S1     2 C2   C5  
CONECT      N3     3 C2   C35  C4  
CONECT      C35    4 N3   C5'  H20  H21 
CONECT      C5'    3 C35  C4'  C6' 
CONECT      C4'    3 C5'  N4'  N3' 
CONECT      N4'    2 C4'  H22 
CONECT      N3'    2 C4'  C2' 
CONECT      C2'    3 N3'  C2A  N1' 
CONECT      C2A    4 C2'  H24  H25  H26 
CONECT      N1'    3 C2'  C6'  H10 
CONECT      C6'    3 C5'  N1'  H27 
CONECT      C4     3 N3   C4A  C5  
CONECT      C4A    4 C4   H28  H29  H30 
CONECT      C5     3 S1   C4   C5A 
CONECT      C5A    4 C5   C5B  H31  H32 
CONECT      C5B    4 C5A  O5G  H33  H34 
CONECT      O5G    2 C5B  P1  
CONECT      P1     4 O5G  O13  O12  O11 
CONECT      O13    1 P1  
CONECT      O12    2 P1   H35 
CONECT      O11    2 P1   P2  
CONECT      P2     4 O11  O23  O21  O22 
CONECT      O23    2 P2   H36 
CONECT      O21    1 P2  
CONECT      O22    2 P2   H37 
CONECT      H1     1 O2P 
CONECT      H2     1 C3P 
CONECT      H3     1 C3P 
CONECT      H4     1 C5I 
CONECT      H5     1 C6I 
CONECT      H6     1 O3I 
CONECT      H7     1 C1I 
CONECT      H8     1 O2I 
CONECT      H9     1 C4I 
CONECT      H11    1 C3I 
CONECT      H13    1 C2I 
CONECT      H14    1 C3  
CONECT      H15    1 C3  
CONECT      H16    1 C41 
CONECT      H17    1 C41 
CONECT      H18    1 O4  
CONECT      H19    1 O5  
CONECT      H20    1 C35 
CONECT      H21    1 C35 
CONECT      H22    1 N4' 
CONECT      H24    1 C2A 
CONECT      H25    1 C2A 
CONECT      H26    1 C2A 
CONECT      H27    1 C6' 
CONECT      H28    1 C4A 
CONECT      H29    1 C4A 
CONECT      H30    1 C4A 
CONECT      H31    1 C5A 
CONECT      H32    1 C5A 
CONECT      H33    1 C5B 
CONECT      H34    1 C5B 
CONECT      H35    1 O12 
CONECT      H36    1 O23 
CONECT      H37    1 O22 
CONECT      H10    1 N1' 
END   
HET    TOI             84
HETSYN     TOI ThDP, decarboxylated 2-oxoglutarate and isochorismate a
HETSYN   2 TOI dduct, covalent intermediate II
HETNAM     TOI (1~{R},2~{S},5~{S},6~{S})-2-[(1~{S})-1-[3-[(4-azanylide
HETNAM   2 TOI ne-2-methyl-1~{H}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-
HETNAM   3 TOI [oxidanyl (phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazo
HETNAM   4 TOI l-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-
HETNAM   5 TOI 6-oxidanyl-5-(3-oxid anyl-3-oxidanylidene-prop-1-en-2-y
HETNAM   6 TOI l)oxy-cyclohex-3-ene-1-carboxylic acid
FORMUL      TOI    C26 H35 N4 O16 P2 S1 1+