A1J0V

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	sing	1.38Å	1.36Å
C1	N2	doub	1.33Å	1.36Å	Aromatic
C1	C4	sing	1.41Å	1.40Å	Aromatic
N2	C2	sing	1.32Å	1.34Å	Aromatic
C2	N3	doub	1.32Å	1.34Å	Aromatic
N3	C3	sing	1.33Å	1.34Å	Aromatic
C3	C4	doub	1.41Å	1.48Å	Aromatic
C3	N5	sing	1.37Å	1.33Å	Aromatic
C4	N4	sing	1.35Å	1.35Å	Aromatic
N4	C5	doub	1.30Å	1.36Å	Aromatic
C5	N5	sing	1.36Å	1.35Å	Aromatic
N5	C6	sing	1.47Å	1.48Å
C6	O1	sing	1.43Å	1.43Å
C6	C10	sing	1.53Å	1.52Å
O1	C7	sing	1.43Å	1.44Å
C7	C8	sing	1.53Å	1.53Å
C9	C7	sing	1.53Å	1.53Å
C8	O2	sing	1.43Å	1.43Å
N6	C9	sing	1.47Å	1.48Å
C10	N6	sing	1.47Å	1.48Å
N1	H1	sing	0.97Å	1.00Å
N1	H2	sing	0.97Å	1.00Å
C7	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C9	H10	sing	1.09Å	1.10Å
C9	H11	sing	1.09Å	1.10Å
C5	H20	sing	1.08Å	1.08Å
C6	H5	sing	1.09Å	1.10Å
C2	H17	sing	1.08Å	1.08Å
C10	H13	sing	1.09Å	1.10Å
C10	H14	sing	1.09Å	1.10Å
N6	H12	sing	1.01Å	1.00Å
O2	H9	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C1	N2	119.7°	120.8°
N1	C1	C4	122.1°	120.7°
C1	N1	H1	109.5°	120.0°
C1	N1	H2	109.4°	120.0°
N2	C1	C4	118.1°	118.5°
C1	N2	C2	121.4°	121.1°
C1	C4	C3	118.5°	118.1°
C1	C4	N4	136.0°	134.7°
N2	C2	N3	123.7°	122.5°
N2	C2	H17	118.2°	118.7°
C2	N3	C3	119.3°	120.7°
N3	C2	H17	118.1°	118.8°
N3	C3	C4	119.0°	119.1°
N3	C3	N5	133.7°	134.9°
C4	C3	N5	107.2°	106.0°
C3	C4	N4	105.5°	107.2°
C3	N5	C5	108.3°	107.5°
C3	N5	C6	124.8°	126.2°
C4	N4	C5	107.9°	109.4°
N4	C5	N5	111.0°	110.0°
N4	C5	H20	124.5°	125.0°
C5	N5	C6	126.9°	126.3°
N5	C5	H20	124.5°	125.0°
N5	C6	O1	108.8°	109.5°
N5	C6	C10	109.8°	109.5°
N5	C6	H5	109.9°	109.6°
O1	C6	C10	108.6°	109.2°
C6	O1	C7	111.7°	113.7°
O1	C6	H5	110.6°	109.5°
C6	C10	N6	109.3°	109.2°
C10	C6	H5	109.3°	109.6°
C6	C10	H13	109.5°	109.5°
C6	C10	H14	109.5°	109.6°
O1	C7	C8	109.1°	109.5°
O1	C7	C9	111.1°	109.3°
O1	C7	H6	110.4°	109.5°
C8	C7	C9	107.7°	109.5°
C7	C8	O2	109.5°	109.5°
C8	C7	H6	109.2°	109.5°
C7	C8	H7	109.5°	109.5°
C7	C8	H8	109.5°	109.5°
C7	C9	N6	110.4°	109.3°
C9	C7	H6	109.2°	109.5°
C7	C9	H10	109.2°	109.5°
C7	C9	H11	109.2°	109.5°
O2	C8	H7	109.5°	109.5°
O2	C8	H8	109.5°	109.5°
C8	O2	H9	109.5°	114.0°
C9	N6	C10	109.0°	110.7°
N6	C9	H10	109.2°	109.5°
N6	C9	H11	109.2°	109.6°
C9	N6	H12	109.6°	111.0°
N6	C10	H13	109.5°	109.5°
N6	C10	H14	109.5°	109.5°
C10	N6	H12	109.6°	111.0°
H1	N1	H2	109.5°	120.0°
H7	C8	H8	109.5°	109.5°
H10	C9	H11	109.5°	109.5°
H13	C10	H14	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C1	N2	C4	179.7°	179.9°
N1	C1	N2	C2	179.9°	180.0°
N1	C1	C4	C3	179.8°	180.0°
N1	C1	C4	N4	0.5°	0.0°
C1	N1	H1	H2	120.0°	179.8°
C1	N2	C2	N3	0.2°	0.1°
N2	C1	C4	C3	0.6°	0.0°
N2	C1	C4	N4	179.8°	180.0°
N2	C1	N1	H1	0.0°	0.0°
N2	C1	N1	H2	120.0°	179.8°
C1	N2	C2	H17	179.7°	180.0°
C4	C1	N2	C2	0.4°	0.1°
C1	C4	C3	N3	0.6°	0.0°
C1	C4	C3	N4	179.4°	180.0°
C1	C4	C3	N5	179.1°	180.0°
C1	C4	N4	C5	179.0°	180.0°
C4	C1	N1	H1	179.7°	179.9°
C4	C1	N1	H2	59.7°	0.3°
N2	C2	N3	H17	180.0°	179.8°
N2	C2	N3	C3	0.3°	0.1°
C2	N3	C3	C4	0.4°	0.0°
C2	N3	C3	N5	179.2°	179.9°
N3	C3	C4	N5	179.7°	180.0°
N3	C3	C4	N4	180.0°	180.0°
N3	C3	N5	C5	179.9°	180.0°
N3	C3	N5	C6	1.3°	0.1°
C3	N3	C2	H17	179.7°	179.9°
C3	C4	N4	C5	0.3°	0.0°
C4	C3	N5	C5	0.2°	0.0°
C4	C3	N5	C6	179.0°	180.0°
N5	C3	C4	N4	0.3°	0.0°
C3	N5	C5	N4	0.1°	0.1°
C3	N5	C5	C6	178.8°	179.9°
C3	N5	C6	O1	139.7°	155.1°
C3	N5	C6	C10	101.7°	85.2°
C3	N5	C5	H20	179.9°	180.0°
C3	N5	C6	H5	18.5°	35.0°
C4	N4	C5	N5	0.2°	0.1°
C4	N4	C5	H20	179.8°	180.0°
N4	C5	N5	H20	180.0°	179.9°
N4	C5	N5	C6	178.8°	180.0°
C5	N5	C6	O1	38.9°	25.0°
C5	N5	C6	C10	79.8°	94.7°
C5	N5	C6	H5	160.0°	145.1°
N5	C6	O1	C10	119.4°	119.9°
N5	C6	O1	H5	120.7°	120.1°
N5	C6	C10	H5	120.5°	120.2°
N5	C6	O1	C7	180.0°	178.6°
N5	C6	C10	N6	178.8°	176.8°
C6	N5	C5	H20	1.2°	0.1°
N5	C6	C10	H13	58.9°	63.4°
N5	C6	C10	H14	61.2°	56.8°
O1	C6	C10	H5	120.7°	119.9°
C6	O1	C7	C8	175.6°	178.6°
C6	O1	C7	C9	57.0°	58.7°
O1	C6	C10	N6	62.4°	56.9°
C6	O1	C7	H6	64.3°	61.3°
O1	C6	C10	H13	177.7°	176.8°
O1	C6	C10	H14	57.6°	63.0°
C10	C6	O1	C7	60.6°	58.7°
C6	C10	N6	C9	60.5°	58.7°
C6	C10	N6	H13	120.0°	119.9°
C6	C10	N6	H14	120.0°	120.0°
C6	C10	H13	H14	120.1°	120.2°
C6	C10	N6	H12	179.5°	177.6°
O1	C7	C8	C9	120.7°	119.8°
O1	C7	C8	H6	120.8°	120.1°
O1	C7	C9	H6	122.0°	119.9°
O1	C7	C8	O2	52.0°	65.1°
O1	C7	C9	N6	54.3°	56.8°
O1	C7	C8	H7	68.0°	174.9°
O1	C7	C8	H8	172.0°	54.9°
O1	C7	C9	H10	65.9°	63.1°
O1	C7	C9	H11	174.4°	176.8°
C7	O1	C6	H5	59.3°	61.2°
C8	C7	C9	H6	118.5°	120.1°
C7	C8	O2	H7	120.0°	120.0°
C7	C8	O2	H8	120.0°	120.0°
C8	C7	C9	N6	173.7°	176.8°
C7	C8	H7	H8	120.0°	120.0°
C8	C7	C9	H10	53.6°	56.8°
C8	C7	C9	H11	66.1°	63.2°
C7	C8	O2	H9	180.0°	180.0°
C9	C7	C8	O2	68.7°	175.1°
C7	C9	N6	H10	120.2°	120.0°
C7	C9	N6	H11	120.2°	119.9°
C7	C9	N6	C10	56.3°	58.7°
C9	C7	C8	H7	171.3°	55.1°
C9	C7	C8	H8	51.3°	64.9°
C7	C9	H10	H11	119.6°	120.0°
C7	C9	N6	H12	176.2°	177.6°
O2	C8	C7	H6	172.8°	55.0°
O2	C8	H7	H8	120.0°	120.0°
C9	N6	C10	H12	119.9°	123.8°
N6	C9	C7	H6	67.8°	63.1°
N6	C9	H10	H11	119.6°	120.1°
C9	N6	C10	H13	179.5°	178.6°
C9	N6	C10	H14	59.4°	61.3°
C10	N6	C9	H10	63.9°	61.3°
C10	N6	C9	H11	176.4°	178.6°
N6	C10	C6	H5	58.3°	63.0°
N6	C10	H13	H14	120.1°	120.1°
H6	C7	C8	H7	52.8°	65.0°
H6	C7	C8	H8	67.2°	175.0°
H6	C7	C9	H10	172.1°	176.9°
H6	C7	C9	H11	52.4°	56.9°
H7	C8	O2	H9	60.0°	60.0°
H8	C8	O2	H9	60.0°	60.0°
H10	C9	N6	H12	56.0°	62.4°
H11	C9	N6	H12	63.7°	57.7°
H5	C6	C10	H13	61.7°	56.8°
H5	C6	C10	H14	178.3°	177.0°
H13	C10	N6	H12	59.6°	57.7°
H14	C10	N6	H12	60.5°	62.5°

Release date:	2026-03-04
Definition date:	2026-02-24
Last modified:	2026-02-27
Release status:	REL
Processing site:	PDBE
Derived from:	28WF