Q2R

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	sing	1.45Å	1.45Å
O1	C	sing	1.35Å	1.33Å
C3	C4	doub	1.38Å	1.38Å	Aromatic
C3	C2	sing	1.40Å	1.39Å	Aromatic
C	C2	sing	1.48Å	1.49Å
C	O	doub	1.21Å	1.21Å
C4	C5	sing	1.38Å	1.38Å	Aromatic
C2	C7	doub	1.41Å	1.41Å	Aromatic
O3	C11	doub	1.22Å	1.25Å
C5	C6	doub	1.38Å	1.38Å	Aromatic
C11	O2	sing	1.35Å	1.25Å
C11	C10	sing	1.48Å	1.51Å
C7	C6	sing	1.39Å	1.40Å	Aromatic
C7	C8	sing	1.48Å	1.49Å
C9	C10	doub	1.39Å	1.39Å	Aromatic
C9	C8	sing	1.39Å	1.39Å	Aromatic
C10	C12	sing	1.40Å	1.39Å	Aromatic
C8	C14	doub	1.40Å	1.39Å	Aromatic
C12	C13	doub	1.38Å	1.38Å	Aromatic
C14	C13	sing	1.38Å	1.38Å	Aromatic
C1	H2	sing	1.09Å	1.10Å
C1	H	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C12	H8	sing	1.08Å	1.08Å
C13	H9	sing	1.08Å	1.08Å
C14	H10	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C9	H7	sing	1.08Å	1.08Å
O2	H11	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	O1	C	116.2°	117.0°
O1	C1	H2	109.5°	109.5°
O1	C1	H	109.5°	109.5°
O1	C1	H1	109.5°	109.5°
O1	C	C2	111.9°	120.0°
O1	C	O	123.4°	120.0°
C4	C3	C2	120.1°	119.9°
C3	C4	C5	120.3°	120.4°
C4	C3	H3	120.0°	120.1°
C3	C4	H4	119.9°	119.7°
C3	C2	C	117.9°	120.2°
C3	C2	C7	120.1°	119.6°
C2	C3	H3	119.9°	120.0°
C2	C	O	124.6°	120.0°
C	C2	C7	121.9°	120.2°
C4	C5	C6	120.3°	120.5°
C5	C4	H4	119.9°	119.8°
C4	C5	H5	119.9°	119.8°
C2	C7	C6	118.3°	119.6°
C2	C7	C8	123.1°	120.2°
O3	C11	O2	124.6°	120.0°
O3	C11	C10	117.9°	120.0°
C5	C6	C7	121.0°	120.0°
C6	C5	H5	119.8°	119.8°
C5	C6	H6	119.5°	120.0°
O2	C11	C10	117.5°	120.0°
C11	O2	H11	109.5°	117.0°
C11	C10	C9	120.1°	120.1°
C11	C10	C12	120.7°	120.1°
C6	C7	C8	118.6°	120.2°
C7	C6	H6	119.5°	120.0°
C7	C8	C9	120.6°	120.1°
C7	C8	C14	121.0°	120.1°
C10	C9	C8	121.3°	119.7°
C9	C10	C12	119.2°	119.9°
C10	C9	H7	119.3°	120.2°
C9	C8	C14	118.4°	119.8°
C8	C9	H7	119.4°	120.1°
C10	C12	C13	120.2°	120.1°
C10	C12	H8	119.9°	119.9°
C8	C14	C13	120.7°	120.2°
C8	C14	H10	119.6°	119.8°
C12	C13	C14	120.2°	120.3°
C13	C12	H8	119.9°	120.0°
C12	C13	H9	119.9°	119.8°
C14	C13	H9	119.9°	119.8°
C13	C14	H10	119.7°	119.9°
H2	C1	H	109.5°	109.4°
H2	C1	H1	109.4°	109.5°
H	C1	H1	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	O1	C	C2	177.3°	180.0°
C1	O1	C	O	2.4°	0.2°
O1	C1	H2	H	120.0°	120.0°
O1	C1	H2	H1	120.0°	120.1°
O1	C1	H	H1	120.0°	120.0°
O1	C	C2	C3	15.0°	6.0°
O1	C	C2	O	179.6°	179.8°
O1	C	C2	C7	164.1°	173.7°
C	O1	C1	H2	180.0°	60.1°
C	O1	C1	H	60.0°	180.0°
C	O1	C1	H1	60.0°	60.0°
C4	C3	C2	H3	180.0°	180.0°
C4	C3	C2	C	178.8°	180.0°
C3	C4	C5	H4	180.0°	180.0°
C4	C3	C2	C7	0.3°	0.2°
C3	C4	C5	C6	0.1°	0.0°
C3	C4	C5	H5	179.8°	179.9°
C3	C2	C	C7	179.1°	179.8°
C3	C2	C	O	165.4°	173.8°
C2	C3	C4	C5	0.1°	0.1°
C3	C2	C7	C6	0.3°	0.6°
C3	C2	C7	C8	180.0°	179.8°
C2	C3	C4	H4	179.9°	180.0°
C	C2	C7	C6	178.8°	179.7°
C	C2	C7	C8	0.9°	0.0°
C	C2	C3	H3	1.2°	0.0°
O	C	C2	C7	15.5°	6.4°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	C7	0.1°	0.4°
C5	C4	C3	H3	179.9°	180.0°
C4	C5	C6	H6	179.8°	180.0°
C2	C7	C6	C5	0.1°	0.6°
C2	C7	C6	C8	179.8°	179.7°
C2	C7	C8	C9	79.4°	120.0°
C2	C7	C8	C14	100.5°	60.3°
C7	C2	C3	H3	179.7°	179.8°
C2	C7	C6	H6	179.9°	179.7°
O3	C11	O2	C10	179.9°	179.9°
O3	C11	C10	C9	95.5°	0.2°
O3	C11	C10	C12	85.8°	179.9°
O3	C11	O2	H11	0.0°	0.1°
C5	C6	C7	H6	180.0°	179.7°
C5	C6	C7	C8	179.8°	179.7°
C6	C5	C4	H4	179.8°	180.0°
O2	C11	C10	C9	84.4°	179.7°
O2	C11	C10	C12	94.3°	0.0°
C11	C10	C9	C12	178.7°	179.7°
C11	C10	C9	C8	178.4°	179.7°
C11	C10	C12	C13	178.4°	180.0°
C11	C10	C12	H8	1.6°	0.0°
C11	C10	C9	H7	1.5°	0.3°
C10	C11	O2	H11	179.9°	180.0°
C6	C7	C8	C9	100.3°	59.7°
C6	C7	C8	C14	79.7°	120.0°
C7	C6	C5	H5	179.8°	179.7°
C7	C8	C9	C10	180.0°	179.7°
C7	C8	C9	C14	179.9°	179.8°
C7	C8	C14	C13	179.8°	180.0°
C7	C8	C14	H10	0.2°	0.0°
C8	C7	C6	H6	0.2°	0.0°
C7	C8	C9	H7	0.0°	0.3°
C10	C9	C8	H7	180.0°	179.4°
C10	C9	C8	C14	0.1°	0.6°
C9	C10	C12	C13	0.3°	0.3°
C9	C10	C12	H8	179.7°	179.7°
C8	C9	C10	C12	0.3°	0.6°
C9	C8	C14	C13	0.1°	0.3°
C9	C8	C14	H10	179.9°	179.7°
C10	C12	C13	H8	180.0°	180.0°
C10	C12	C13	C14	0.1°	0.0°
C10	C12	C13	H9	179.9°	180.0°
C12	C10	C9	H7	179.7°	180.0°
C8	C14	C13	C12	0.1°	0.0°
C8	C14	C13	H10	180.0°	180.0°
C8	C14	C13	H9	179.8°	180.0°
C14	C8	C9	H7	179.9°	179.9°
C12	C13	C14	H9	180.0°	180.0°
C12	C13	C14	H10	179.9°	180.0°
C14	C13	C12	H8	179.9°	180.0°
H2	C1	H	H1	119.9°	120.0°
H8	C12	C13	H9	0.1°	0.0°
H9	C13	C14	H10	0.2°	0.0°
H3	C3	C4	H4	0.0°	0.0°
H4	C4	C5	H5	0.2°	0.0°
H5	C5	C6	H6	0.2°	0.1°

Release date:	2018-01-10
Definition date:	2017-07-27
Last modified:	2018-01-05
Release status:	REL
Processing site:	RCSB
Derived from:	5QAG