8QU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	N2	doub	1.22Å	1.38Å
N2	O1	sing	1.22Å	1.38Å
N2	C9	sing	1.48Å	1.32Å
C8	C9	doub	1.36Å	1.26Å	Aromatic
C8	C7	sing	1.40Å	1.20Å	Aromatic
C9	C10	sing	1.41Å	1.48Å	Aromatic
C7	C6	doub	1.37Å	1.27Å	Aromatic
C10	N4	doub	1.31Å	1.34Å	Aromatic
C10	C11	sing	1.49Å	1.36Å	Aromatic
O4	C12	doub	1.21Å	1.23Å
C6	C11	sing	1.46Å	1.48Å	Aromatic
C6	N1	sing	1.39Å	1.33Å
C5	N1	sing	1.47Å	1.47Å
C5	C1	sing	1.53Å	1.53Å
C12	O5	sing	1.34Å	1.24Å
C12	C1	sing	1.51Å	1.50Å
N4	O3	sing	1.21Å	1.32Å	Aromatic
C11	N3	doub	1.31Å	1.33Å	Aromatic
N1	C4	sing	1.47Å	1.45Å
C1	C2	sing	1.53Å	1.51Å
O3	N3	sing	1.22Å	1.33Å	Aromatic
C4	C3	sing	1.53Å	1.51Å
C2	C3	sing	1.53Å	1.52Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.08Å	1.08Å
C8	H6	sing	1.08Å	1.08Å
C3	H7	sing	1.09Å	1.10Å
C3	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C2	H10	sing	1.09Å	1.10Å
C2	H11	sing	1.09Å	1.10Å
O5	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	N2	O1	119.0°	120.0°
O2	N2	C9	121.9°	120.0°
O1	N2	C9	119.0°	120.0°
N2	C9	C8	122.9°	120.0°
N2	C9	C10	118.6°	119.9°
C9	C8	C7	124.8°	122.8°
C8	C9	C10	118.6°	120.1°
C9	C8	H6	117.6°	118.6°
C8	C7	C6	125.9°	121.7°
C8	C7	H5	117.1°	119.2°
C7	C8	H6	117.6°	118.6°
C9	C10	N4	134.3°	138.7°
C9	C10	C11	116.7°	118.6°
C7	C6	C11	118.2°	118.6°
C7	C6	N1	122.0°	120.7°
C6	C7	H5	117.0°	119.1°
N4	C10	C11	109.0°	102.7°
C10	N4	O3	103.0°	109.0°
C10	C11	C6	115.7°	118.2°
C10	C11	N3	109.8°	102.9°
O4	C12	O5	122.3°	120.0°
O4	C12	C1	119.2°	120.0°
C11	C6	N1	119.8°	120.7°
C6	C11	N3	134.5°	138.9°
C6	N1	C5	120.8°	111.0°
C6	N1	C4	120.7°	111.0°
N1	C5	C1	113.7°	109.5°
C5	N1	C4	118.4°	111.2°
N1	C5	H3	108.4°	109.4°
N1	C5	H4	108.4°	109.4°
C5	C1	C12	109.2°	109.5°
C5	C1	C2	109.1°	109.3°
C1	C5	H3	108.4°	109.5°
C1	C5	H4	108.4°	109.5°
C5	C1	H9	109.8°	109.5°
O5	C12	C1	118.5°	120.0°
C12	O5	H12	109.5°	117.0°
C12	C1	C2	108.7°	109.5°
C12	C1	H9	110.1°	109.5°
N4	O3	N3	115.7°	116.3°
C11	N3	O3	102.4°	109.1°
N1	C4	C3	108.1°	109.5°
N1	C4	H1	109.8°	109.5°
N1	C4	H2	109.8°	109.5°
C1	C2	C3	109.7°	109.2°
C2	C1	H9	110.0°	109.6°
C1	C2	H10	109.4°	109.6°
C1	C2	H11	109.4°	109.5°
C4	C3	C2	110.8°	109.3°
C3	C4	H1	109.9°	109.4°
C3	C4	H2	109.8°	109.4°
C4	C3	H7	109.2°	109.5°
C4	C3	H8	109.2°	109.5°
C2	C3	H7	109.2°	109.5°
C2	C3	H8	109.1°	109.5°
C3	C2	H10	109.4°	109.5°
C3	C2	H11	109.4°	109.5°
H1	C4	H2	109.5°	109.5°
H3	C5	H4	109.5°	109.5°
H7	C3	H8	109.4°	109.5°
H10	C2	H11	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	N2	O1	C9	179.5°	179.9°
O2	N2	C9	C8	12.3°	180.0°
O2	N2	C9	C10	167.5°	0.2°
O1	N2	C9	C8	168.2°	0.1°
O1	N2	C9	C10	12.0°	179.7°
N2	C9	C8	C10	179.8°	179.8°
N2	C9	C8	C7	179.4°	180.0°
N2	C9	C10	N4	0.8°	0.3°
N2	C9	C10	C11	179.6°	179.7°
N2	C9	C8	H6	0.6°	0.2°
C9	C8	C7	H6	180.0°	179.8°
C9	C8	C7	C6	1.9°	0.0°
C8	C9	C10	N4	179.4°	179.9°
C8	C9	C10	C11	0.2°	0.5°
C9	C8	C7	H5	178.2°	180.0°
C7	C8	C9	C10	0.8°	0.2°
C8	C7	C6	H5	180.0°	180.0°
C8	C7	C6	C11	1.7°	0.0°
C8	C7	C6	N1	177.4°	179.7°
C9	C10	N4	C11	179.6°	179.5°
C9	C10	C11	C6	0.2°	0.6°
C9	C10	N4	O3	179.9°	179.3°
C9	C10	C11	N3	179.9°	179.5°
C10	C9	C8	H6	179.2°	180.0°
C7	C6	C11	C10	0.6°	0.3°
C7	C6	C11	N1	179.0°	179.7°
C7	C6	N1	C5	17.4°	60.3°
C7	C6	C11	N3	179.3°	179.8°
C7	C6	N1	C4	157.9°	63.9°
C6	C7	C8	H6	178.1°	179.7°
N4	C10	C11	C6	179.4°	179.9°
N4	C10	C11	N3	0.5°	0.1°
C10	N4	O3	N3	0.1°	0.2°
C10	C11	C6	N3	179.9°	179.9°
C10	C11	C6	N1	178.5°	180.0°
C11	C10	N4	O3	0.3°	0.2°
C10	C11	N3	O3	0.4°	0.1°
O4	C12	C1	C5	125.1°	0.0°
O4	C12	O5	C1	179.5°	180.0°
O4	C12	C1	C2	116.0°	119.8°
O4	C12	C1	H9	4.5°	120.0°
O4	C12	O5	H12	0.0°	0.0°
C11	C6	N1	C5	163.6°	120.0°
C11	C6	N1	C4	21.1°	115.8°
C6	C11	N3	O3	179.5°	179.9°
C11	C6	C7	H5	178.4°	180.0°
C6	N1	C5	C4	175.4°	124.1°
C6	N1	C5	C1	137.9°	174.2°
N1	C6	C11	N3	1.6°	0.2°
C6	N1	C4	C3	134.4°	174.2°
C6	N1	C4	H1	105.7°	65.8°
C6	N1	C4	H2	14.7°	54.2°
C6	N1	C5	H3	17.3°	54.2°
C6	N1	C5	H4	101.5°	65.8°
N1	C6	C7	H5	2.6°	0.3°
N1	C5	C1	H3	120.6°	120.0°
N1	C5	C1	H4	120.6°	120.0°
N1	C5	C1	C12	165.9°	179.1°
N1	C5	C1	C2	47.3°	59.2°
C5	N1	C4	C3	50.1°	61.7°
C5	N1	C4	H1	69.7°	58.3°
C5	N1	C4	H2	169.9°	178.3°
N1	C5	H3	H4	118.1°	119.9°
N1	C5	C1	H9	73.4°	60.9°
C5	C1	C12	O5	55.4°	180.0°
C5	C1	C12	C2	118.9°	119.8°
C5	C1	C12	H9	120.6°	120.0°
C1	C5	N1	C4	46.6°	61.7°
C5	C1	C2	H9	120.5°	120.0°
C5	C1	C2	C3	56.3°	57.7°
C1	C5	H3	H4	118.1°	120.0°
C5	C1	C2	H10	176.3°	62.2°
C5	C1	C2	H11	63.8°	177.6°
O5	C12	C1	C2	63.5°	60.2°
O5	C12	C1	H9	176.0°	59.9°
C12	C1	C2	H9	120.6°	120.1°
C12	C1	C2	C3	175.2°	177.6°
C12	C1	C5	H3	73.5°	60.9°
C12	C1	C5	H4	45.3°	59.1°
C12	C1	C2	H10	64.8°	57.7°
C12	C1	C2	H11	55.1°	62.5°
C1	C12	O5	H12	179.5°	180.0°
N4	O3	N3	C11	0.2°	0.2°
N1	C4	C3	H1	119.8°	120.0°
N1	C4	C3	H2	119.8°	120.0°
N1	C4	C3	C2	57.6°	59.1°
N1	C4	H1	H2	120.7°	120.0°
C4	N1	C5	H3	167.3°	178.2°
C4	N1	C5	H4	74.0°	58.3°
N1	C4	C3	H7	177.8°	179.1°
N1	C4	C3	H8	62.6°	60.7°
C1	C2	C3	C4	63.7°	57.6°
C1	C2	C3	H10	120.0°	120.0°
C1	C2	C3	H11	120.0°	120.0°
C2	C1	C5	H3	167.9°	179.2°
C2	C1	C5	H4	73.3°	60.8°
C1	C2	C3	H7	176.0°	177.6°
C1	C2	C3	H8	56.5°	62.3°
C1	C2	H10	H11	119.9°	120.2°
C4	C3	C2	H7	120.2°	120.0°
C4	C3	C2	H8	120.2°	119.9°
C3	C4	H1	H2	120.6°	119.9°
C4	C3	H7	H8	119.4°	120.1°
C4	C3	C2	H10	176.2°	62.3°
C4	C3	C2	H11	56.3°	177.6°
C2	C3	C4	H1	62.2°	60.9°
C2	C3	C4	H2	177.4°	179.1°
C2	C3	H7	H8	119.4°	120.1°
C3	C2	C1	H9	64.2°	62.3°
C3	C2	H10	H11	119.9°	120.1°
H1	C4	C3	H7	58.0°	59.1°
H1	C4	C3	H8	177.6°	179.2°
H2	C4	C3	H7	62.4°	60.9°
H2	C4	C3	H8	57.2°	59.3°
H3	C5	C1	H9	47.3°	59.1°
H4	C5	C1	H9	166.0°	179.2°
H5	C7	C8	H6	1.8°	0.3°
H7	C3	C2	H10	56.0°	57.7°
H7	C3	C2	H11	63.9°	62.4°
H8	C3	C2	H10	63.5°	177.8°
H8	C3	C2	H11	176.5°	57.7°
H9	C1	C2	H10	55.8°	177.8°
H9	C1	C2	H11	175.7°	57.6°

Release date:	2022-12-21
Definition date:	2021-12-24
Last modified:	2022-12-16
Release status:	REL
Processing site:	PDBJ
Derived from:	7WC3