9PG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C3	sing	1.43Å	1.40Å
O2	C2	sing	1.43Å	1.40Å
C3	C2	sing	1.53Å	1.52Å
C3	C4	sing	1.53Å	1.53Å
C2	C1	sing	1.53Å	1.52Å
C4	O4	sing	1.43Å	1.40Å
C4	C5	sing	1.53Å	1.53Å
O1	C1	sing	1.43Å	1.40Å
O1	C12	sing	1.36Å	1.40Å
C1	O5	sing	1.43Å	1.40Å
C11	C12	doub	1.39Å	1.38Å	Aromatic
C11	C10	sing	1.38Å	1.38Å	Aromatic
C5	O5	sing	1.43Å	1.40Å
C5	C6	sing	1.53Å	1.53Å
C12	C13	sing	1.39Å	1.39Å	Aromatic
C10	C9	doub	1.38Å	1.38Å	Aromatic
C13	C14	doub	1.38Å	1.38Å	Aromatic
O6	C6	sing	1.43Å	1.40Å
C9	C14	sing	1.38Å	1.39Å	Aromatic
C9	N	sing	1.48Å	1.45Å
N	O7	doub	1.22Å	1.18Å
N	O8	sing	1.22Å	1.18Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C14	H8	sing	1.08Å	1.08Å
C13	H9	sing	1.08Å	1.08Å
C11	H10	sing	1.08Å	1.08Å
C10	H11	sing	1.08Å	1.08Å
O2	HO2	sing	0.97Å	0.95Å
O3	HO3	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
O6	HO6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C3	C2	108.3°	109.5°
O3	C3	C4	109.7°	109.6°
O3	C3	H3	111.1°	109.6°
C3	O3	HO3	109.5°	114.0°
O2	C2	C3	109.1°	109.5°
O2	C2	C1	110.4°	109.5°
O2	C2	H2	110.4°	109.6°
C2	O2	HO2	109.5°	113.9°
C2	C3	C4	109.1°	109.0°
C3	C2	C1	109.4°	109.1°
C2	C3	H3	109.4°	109.6°
C3	C2	H2	108.8°	109.6°
C3	C4	O4	108.5°	109.5°
C3	C4	C5	109.5°	109.2°
C3	C4	H4	109.1°	109.6°
C4	C3	H3	109.2°	109.5°
C2	C1	O1	109.3°	109.5°
C2	C1	O5	109.3°	109.4°
C1	C2	H2	108.8°	109.5°
C2	C1	H1	108.9°	109.4°
O4	C4	C5	109.8°	109.5°
O4	C4	H4	110.9°	109.5°
C4	O4	HO4	109.5°	114.0°
C4	C5	O5	108.7°	109.4°
C4	C5	C6	110.5°	109.5°
C4	C5	H5	108.6°	109.5°
C5	C4	H4	109.0°	109.5°
C1	O1	C12	109.1°	117.0°
O1	C1	O5	108.1°	109.5°
O1	C1	H1	110.6°	109.5°
O1	C12	C11	119.4°	120.1°
O1	C12	C13	120.5°	120.0°
C1	O5	C5	112.1°	114.1°
O5	C1	H1	110.7°	109.5°
C12	C11	C10	120.0°	119.9°
C11	C12	C13	120.1°	119.9°
C12	C11	H10	120.0°	120.0°
C11	C10	C9	120.0°	120.1°
C10	C11	H10	120.0°	120.0°
C11	C10	H11	120.0°	120.0°
O5	C5	C6	110.0°	109.5°
O5	C5	H5	110.4°	109.5°
C5	C6	O6	110.5°	109.4°
C5	C6	H61	109.2°	109.5°
C5	C6	H62	109.2°	109.5°
C6	C5	H5	108.6°	109.5°
C12	C13	C14	119.9°	119.9°
C12	C13	H9	120.0°	120.0°
C10	C9	C14	120.3°	120.1°
C10	C9	N	119.1°	119.9°
C9	C10	H11	120.0°	120.0°
C13	C14	C9	119.7°	120.1°
C13	C14	H8	120.2°	119.9°
C14	C13	H9	120.0°	120.1°
O6	C6	H61	109.2°	109.5°
O6	C6	H62	109.2°	109.5°
C6	O6	HO6	109.5°	113.9°
C14	C9	N	120.6°	119.9°
C9	C14	H8	120.1°	120.1°
C9	N	O7	119.9°	120.0°
C9	N	O8	119.8°	120.0°
O7	N	O8	120.4°	120.0°
H61	C6	H62	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C3	C2	O2	66.2°	63.3°
O3	C3	C2	C4	119.4°	119.9°
O3	C3	C2	H3	121.2°	120.3°
O3	C3	C4	H3	122.0°	120.3°
O3	C3	C2	C1	173.0°	176.9°
O3	C3	C4	O4	52.1°	56.9°
O3	C3	C4	C5	172.0°	176.8°
O3	C3	C4	H4	68.8°	63.2°
O3	C3	C2	H2	54.3°	57.0°
O2	C2	C3	C1	120.8°	119.9°
O2	C2	C3	H2	120.4°	120.3°
O2	C2	C3	C4	174.4°	176.9°
O2	C2	C1	H2	121.2°	120.2°
O2	C2	C1	O1	60.8°	57.5°
O2	C2	C1	O5	178.9°	177.5°
O2	C2	C3	H3	55.0°	57.0°
O2	C2	C1	H1	60.1°	62.5°
C2	C3	C4	H3	119.5°	119.9°
C3	C2	C1	H2	118.7°	119.9°
C2	C3	C4	O4	66.4°	62.9°
C2	C3	C4	C5	53.5°	57.0°
C3	C2	C1	O1	59.2°	62.4°
C3	C2	C1	O5	58.9°	57.7°
C2	C3	C4	H4	172.7°	176.9°
C3	C2	C1	H1	179.8°	177.6°
C3	C2	O2	HO2	180.0°	180.0°
C2	C3	O3	HO3	180.0°	60.0°
C4	C3	C2	C1	53.6°	57.0°
C3	C4	O4	C5	119.6°	119.7°
C3	C4	O4	H4	119.8°	120.2°
C3	C4	C5	H4	119.2°	120.0°
C3	C4	C5	O5	58.2°	57.6°
C3	C4	C5	C6	179.0°	177.6°
C3	C4	C5	H5	62.0°	62.4°
C4	C3	C2	H2	65.1°	62.9°
C4	C3	O3	HO3	61.0°	179.6°
C3	C4	O4	HO4	180.0°	60.2°
C2	C1	O1	O5	118.8°	120.0°
C2	C1	O1	H1	119.9°	120.0°
C2	C1	O1	C12	143.7°	170.0°
C2	C1	O5	H1	119.9°	119.9°
C2	C1	O5	C5	66.2°	61.2°
C1	C2	C3	H3	65.8°	62.8°
C1	C2	O2	HO2	59.8°	60.4°
O4	C4	C5	H4	121.7°	120.1°
O4	C4	C5	O5	60.8°	62.4°
O4	C4	C5	C6	60.0°	57.7°
O4	C4	C5	H5	179.0°	177.7°
O4	C4	C3	H3	174.1°	177.2°
C4	C5	O5	C1	65.6°	61.1°
C4	C5	O5	C6	121.1°	120.0°
C4	C5	O5	H5	119.0°	119.9°
C4	C5	C6	H5	119.0°	120.0°
C4	C5	C6	O6	45.7°	175.0°
C4	C5	C6	H61	165.8°	55.1°
C4	C5	C6	H62	74.5°	65.0°
C5	C4	C3	H3	66.1°	62.9°
C5	C4	O4	HO4	60.4°	180.0°
O1	C1	O5	H1	121.3°	120.1°
C1	O1	C12	C11	164.6°	0.0°
O1	C1	O5	C5	52.6°	58.8°
C1	O1	C12	C13	15.3°	180.0°
O1	C1	C2	H2	177.9°	177.7°
C12	O1	C1	O5	97.5°	70.0°
O1	C12	C11	C13	179.9°	179.9°
O1	C12	C11	C10	180.0°	179.8°
O1	C12	C13	C14	179.9°	180.0°
C12	O1	C1	H1	23.8°	50.0°
O1	C12	C13	H9	0.1°	0.1°
O1	C12	C11	H10	0.0°	0.0°
C1	O5	C5	C6	173.3°	178.9°
C1	O5	C5	H5	53.4°	58.8°
O5	C1	C2	H2	59.9°	62.2°
C12	C11	C10	H10	180.0°	179.8°
C12	C11	C10	C9	0.1°	0.5°
C11	C12	C13	C14	0.0°	0.1°
C11	C12	C13	H9	180.0°	180.0°
C12	C11	C10	H11	179.9°	180.0°
C10	C11	C12	C13	0.1°	0.2°
C11	C10	C9	H11	180.0°	179.5°
C11	C10	C9	C14	0.0°	0.5°
C11	C10	C9	N	179.9°	179.7°
O5	C5	C6	H5	121.0°	120.0°
O5	C5	C6	O6	74.3°	65.0°
O5	C5	C6	H61	45.8°	175.0°
O5	C5	C6	H62	165.5°	55.0°
O5	C5	C4	H4	177.4°	177.6°
C5	O5	C1	H1	173.9°	178.9°
C5	C6	O6	H61	120.2°	120.0°
C5	C6	O6	H62	120.2°	120.0°
C5	C6	H61	H62	119.5°	120.0°
C6	C5	C4	H4	61.8°	62.4°
C5	C6	O6	HO6	180.0°	179.9°
C12	C13	C14	H9	180.0°	179.9°
C12	C13	C14	C9	0.0°	0.1°
C12	C13	C14	H8	180.0°	180.0°
C13	C12	C11	H10	179.9°	180.0°
C10	C9	C14	C13	0.0°	0.2°
C10	C9	C14	N	179.9°	179.7°
C10	C9	N	O7	146.6°	179.7°
C10	C9	N	O8	33.0°	0.3°
C10	C9	C14	H8	180.0°	179.7°
C9	C10	C11	H10	179.9°	179.7°
C13	C14	C9	H8	180.0°	180.0°
C13	C14	C9	N	179.9°	180.0°
O6	C6	H61	H62	119.5°	120.0°
O6	C6	C5	H5	164.7°	55.0°
C14	C9	N	O7	33.3°	0.0°
C14	C9	N	O8	147.1°	180.0°
C9	C14	C13	H9	180.0°	180.0°
C14	C9	C10	H11	180.0°	180.0°
C9	N	O7	O8	179.6°	180.0°
N	C9	C14	H8	0.1°	0.0°
N	C9	C10	H11	0.1°	0.2°
H61	C6	C5	H5	75.2°	65.0°
H61	C6	O6	HO6	59.9°	60.1°
H62	C6	C5	H5	44.5°	175.0°
H62	C6	O6	HO6	59.8°	59.9°
H5	C5	C4	H4	57.3°	57.6°
H4	C4	C3	H3	53.1°	57.1°
H4	C4	O4	HO4	60.2°	59.9°
H3	C3	C2	H2	175.4°	177.3°
H3	C3	O3	HO3	59.9°	60.3°
H2	C2	C1	H1	61.1°	57.7°
H2	C2	O2	HO2	60.5°	59.8°
H8	C14	C13	H9	0.0°	0.0°
H10	C11	C10	H11	0.1°	0.2°

Release date:	2015-07-29
Definition date:	2015-05-22
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	4ZYR