PDB Code: IBR
X-PLOR files
Heterogen file generated from the PDB Het Group Dictionary
RESIDUE IBR 28
CONECT C' 3 O' C2' H'
CONECT O' 1 C'
CONECT C1' 3 C2' C6' C2
CONECT C2' 3 C' C1' C3'
CONECT C3' 3 C2' C4' H3'
CONECT C4' 3 C3' C5' N
CONECT C5' 3 C4' C6' H5'
CONECT C6' 3 C1' C5' H6'
CONECT N 3 C4' 1HN 2HN
CONECT C1 3 C2 O11 O12
CONECT C2 4 C1 C1' 1H2 2H2
CONECT O11 2 C1 C2E
CONECT O12 1 C1
CONECT C1E 4 C2E BR 1HE1 2HE1
CONECT C2E 4 O11 C1E 1HE2 2HE2
CONECT BR 1 C1E
CONECT H' 1 C'
CONECT H3' 1 C3'
CONECT H5' 1 C5'
CONECT H6' 1 C6'
CONECT 1HN 1 N
CONECT 2HN 1 N
CONECT 1H2 1 C2
CONECT 2H2 1 C2
CONECT 1HE1 1 C1E
CONECT 2HE1 1 C1E
CONECT 1HE2 1 C2E
CONECT 2HE2 1 C2E
END
HET IBR 16
HETNAM IBR (2-BROMOETHYL)(2-'FORMYL-4'-AMINOPHENYL) ACETATE
FORMUL IBR C11 H12 N1 O3 BR1