PDB Code: S57
X-PLOR files
Heterogen file generated from the PDB Het Group Dictionary
PICTURE S57
C5 CL--C2*--C3*
// \ / \
C4 N1--C1'-C2'-C3'-C4'-C5'-C6'--O1*--C1* O C4*--O4--C1
| | \ /
N3====C2 C6*--C5*
END
RESIDUE S57 42
CONECT C1 4 O4 1H1 2H1 3H1
CONECT O4 2 C1 C4*
CONECT C4* 3 O4 C3* C5*
CONECT C3* 3 C2* C4* H3*
CONECT C2* 3 C1* C3* CL
CONECT CL 1 C2*
CONECT C1* 3 C2* O1 C6*
CONECT C6* 3 C1* C5* H6*
CONECT C5* 3 C4* C6* H5*
CONECT O1 2 C1* C6'
CONECT C6' 4 O1 C5' 1H6' 2H6'
CONECT C5' 4 C4' C6' 1H5' 2H5'
CONECT C4' 4 C3' C5' 1H4' 2H4'
CONECT C3' 4 C2' C4' 1H3' 2H3'
CONECT C2' 4 C3' C1' 1H2' 2H2'
CONECT C1' 4 C2' N1 1H1' 2H1'
CONECT N1 3 C1' C2 C5
CONECT C2 3 N1 N3 H2
CONECT N3 2 C2 C4
CONECT C4 3 N3 C5 H4
CONECT C5 3 C4 N1 H5
CONECT 1H1 1 C1
CONECT 2H1 1 C1
CONECT 3H1 1 C1
CONECT H3* 1 C3*
CONECT H5* 1 C5*
CONECT H6* 1 C6*
CONECT 1H6' 1 C6'
CONECT 2H6' 1 C6'
CONECT 1H5' 1 C5'
CONECT 2H5' 1 C5'
CONECT 1H4' 1 C4'
CONECT 2H4' 1 C4'
CONECT 1H3' 1 C3'
CONECT 2H3' 1 C3'
CONECT 1H2' 1 C2'
CONECT 2H2' 1 C2'
CONECT 1H1' 1 C1'
CONECT 2H1' 1 C1'
CONECT H2 1 C2
CONECT H4 1 C4
CONECT H5 1 C5
END
HET S57 42
HETNAM S57 1-[6-(2-CHLORO-4-METHYXYPHENOXY)-HEXYL]-IMIDAZOLE
FORMUL S57 C16 H21 N2 O2 CL1