PDB Code: PET
X-PLOR files
Heterogen file generated from the PDB Het Group Dictionary
RESIDUE PET 47
CONECT C1 3 C2 C6 O1
CONECT C2 3 C1 C3 H2
CONECT C3 3 C2 C4 H3
CONECT C4 3 C3 C5 C7
CONECT C5 3 C4 C6 H5
CONECT C6 3 C1 C5 H6
CONECT C7 3 C4 N1 N2
CONECT CA 4 CB O1 1HA 2HA
CONECT CB 4 CA O2 1HB 2HB
CONECT C1' 3 C2' C6' O1'
CONECT C2' 3 C1' C3' H2'
CONECT C3' 3 C2' C4' H3'
CONECT C4' 3 C3' C5' C7'
CONECT C5' 3 C4' C6' H5'
CONECT C6' 3 C1' C5' H6'
CONECT C7' 3 C4' N1' N2'
CONECT CA' 4 CB' O1' 1HA' 2HA'
CONECT CB' 4 CA' O2 1HB' 2HB'
CONECT N1 2 C7 HN1
CONECT N2 3 C7 1HN2 2HN2
CONECT N1' 2 C7' 'HN1
CONECT N2' 3 C7' 1HN' 2HN'
CONECT O1 2 C1 CA
CONECT O1' 2 C1' CA'
CONECT O2 2 CB CB'
CONECT H2 1 C2
CONECT H3 1 C3
CONECT H5 1 C5
CONECT H6 1 C6
CONECT 1HA 1 CA
CONECT 2HA 1 CA
CONECT 1HB 1 CB
CONECT 2HB 1 CB
CONECT H2' 1 C2'
CONECT H3' 1 C3'
CONECT H5' 1 C5'
CONECT H6' 1 C6'
CONECT 1HA' 1 CA'
CONECT 2HA' 1 CA'
CONECT 1HB' 1 CB'
CONECT 2HB' 1 CB'
CONECT HN1 1 N1
CONECT 1HN2 1 N2
CONECT 2HN2 1 N2
CONECT 'HN1 1 N1'
CONECT 1HN' 1 N2'
CONECT 2HN' 1 N2'
END
HET PET 47
HETNAM PET 1,5-DI(4-AMIDINOPHENOXY)-3-OXA-PENTANE
FORMUL PET C18 H22 N4 O3