PDB Code: PFZ
X-PLOR files
Heterogen file generated from the PDB Het Group Dictionary
PICTURE PFZ
C5*==N4*--C3*
\ //
C*-N1*--C2* C2'--C3'
/ / \
O1-C1-------------C1' O C4'--CL1
| \ /
| CL2-C6'--C5'
|
C2--C3--C4--C5--C6--C7
END
RESIDUE PFZ 44
CONECT C1 4 O1 C1' C2 C*
CONECT O1 2 C1 HO1
CONECT C1' 3 C1 C2' C6'
CONECT C2 4 C1 C3 1H2 2H2
CONECT C3 4 C2 C4 1H3 2H3
CONECT C4 4 C3 C5 1H4 2H4
CONECT C5 4 C4 C6 1H5 2H5
CONECT C6 4 C5 C7 1H6 2H6
CONECT C7 4 C6 1H7 2H7 3H7
CONECT C* 4 C1 N1* 1H* 2H*
CONECT N1* 3 C* C2* C5*
CONECT C2* 3 N1* C3* H2*
CONECT C3* 3 C2* N4* H3*
CONECT N4* 2 C3* C5*
CONECT C5* 3 N4* N1* H5*
CONECT C2' 3 C1' C3' H2'
CONECT C3' 3 C2' C4' H3'
CONECT C4' 3 C3' C5' CL1
CONECT CL1 1 C4'
CONECT C5' 3 C4' C6' H5'
CONECT C6' 3 C1' C5' CL2
CONECT CL2 1 C6'
CONECT HO1 1 O1
CONECT 1H2 1 C2
CONECT 2H2 1 C2
CONECT 1H3 1 C3
CONECT 2H3 1 C3
CONECT 1H4 1 C4
CONECT 2H4 1 C4
CONECT 1H5 1 C5
CONECT 2H5 1 C5
CONECT 1H6 1 C6
CONECT 2H6 1 C6
CONECT 1H7 1 C7
CONECT 2H7 1 C7
CONECT 3H7 1 C7
CONECT 1H* 1 C*
CONECT 2H* 1 C*
CONECT H2* 1 C2*
CONECT H3* 1 C3*
CONECT H5* 1 C5*
CONECT H2' 1 C2'
CONECT H3' 1 C3'
CONECT H5' 1 C5'
END
HET PFZ 44
HETNAM PFZ 1-(2,4-DICHLOROPHENYL)-1-(METHYLENE--(1-IMIDAZOLYL)-
HETNAM 2 PFZ HEPTANOL
FORMUL PFZ C17 H22 N2 O1 CL2