A1A83

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C1	sing	1.53Å	1.52Å
C2	C3	sing	1.53Å	1.55Å
C4	C3	sing	1.53Å	1.56Å
C4	O1	sing	1.43Å	1.40Å
C3	N1	sing	1.47Å	1.48Å
N1	C5	sing	1.38Å	1.39Å
C5	C8	doub	1.40Å	1.42Å	Aromatic
C5	N2	sing	1.33Å	1.37Å	Aromatic
C9	C8	sing	1.46Å	1.44Å	Aromatic
C9	C10	doub	1.34Å	1.39Å	Aromatic
C8	C7	sing	1.41Å	1.43Å	Aromatic
N2	C6	doub	1.32Å	1.36Å	Aromatic
C10	N4	sing	1.37Å	1.38Å	Aromatic
C7	N4	sing	1.37Å	1.38Å	Aromatic
C7	N3	doub	1.33Å	1.35Å	Aromatic
C6	N3	sing	1.32Å	1.33Å	Aromatic
C3	H1	sing	1.09Å	1.10Å
C6	H11	sing	1.08Å	1.08Å
C9	H12	sing	1.08Å	1.08Å
C1	H3	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C10	H13	sing	1.08Å	1.08Å
C2	H6	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
N1	H10	sing	0.97Å	1.00Å
N4	H14	sing	0.97Å	1.00Å
O1	H9	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	111.0°	109.5°
C2	C1	H3	109.5°	109.5°
C2	C1	H2	109.5°	109.5°
C2	C1	H4	109.5°	109.5°
C1	C2	H6	109.1°	109.4°
C1	C2	H5	109.1°	109.4°
C2	C3	C4	107.2°	109.5°
C2	C3	N1	109.5°	109.5°
C2	C3	H1	108.9°	109.5°
C3	C2	H6	109.1°	109.5°
C3	C2	H5	109.1°	109.5°
C3	C4	O1	107.3°	109.5°
C4	C3	N1	112.4°	109.4°
C4	C3	H1	108.8°	109.5°
C3	C4	H7	110.0°	109.4°
C3	C4	H8	110.0°	109.5°
O1	C4	H7	110.0°	109.5°
O1	C4	H8	110.0°	109.5°
C4	O1	H9	109.5°	114.0°
C3	N1	C5	123.3°	120.0°
N1	C3	H1	110.0°	109.4°
C3	N1	H10	105.9°	120.0°
N1	C5	C8	121.9°	120.9°
N1	C5	N2	117.1°	120.8°
C5	N1	H10	105.9°	120.0°
C8	C5	N2	121.0°	118.3°
C5	C8	C9	140.4°	135.1°
C5	C8	C7	114.2°	118.7°
C5	N2	C6	117.0°	121.1°
C8	C9	C10	108.5°	106.8°
C9	C8	C7	105.4°	106.2°
C8	C9	H12	125.7°	126.6°
C9	C10	N4	108.2°	109.9°
C10	C9	H12	125.8°	126.6°
C9	C10	H13	125.9°	125.1°
C8	C7	N4	108.4°	107.2°
C8	C7	N3	126.2°	118.6°
N2	C6	N3	128.3°	122.7°
N2	C6	H11	115.9°	118.7°
C10	N4	C7	109.5°	110.0°
N4	C10	H13	125.9°	125.1°
C10	N4	H14	125.3°	125.0°
N4	C7	N3	125.3°	134.3°
C7	N4	H14	125.2°	125.0°
C7	N3	C6	113.3°	120.7°
N3	C6	H11	115.8°	118.6°
H3	C1	H2	109.4°	109.5°
H3	C1	H4	109.4°	109.5°
H2	C1	H4	109.5°	109.4°
H6	C2	H5	109.5°	109.5°
H7	C4	H8	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	H6	120.3°	120.0°
C1	C2	C3	H5	120.2°	120.0°
C1	C2	C3	C4	178.2°	175.0°
C1	C2	C3	N1	59.6°	65.0°
C1	C2	C3	H1	60.6°	55.0°
C2	C1	H3	H2	120.0°	120.0°
C2	C1	H3	H4	120.0°	120.1°
C2	C1	H2	H4	120.0°	120.0°
C1	C2	H6	H5	119.3°	119.9°
C2	C3	C4	N1	120.3°	120.0°
C2	C3	C4	H1	117.6°	120.1°
C2	C3	C4	O1	173.4°	55.0°
C2	C3	N1	H1	119.6°	120.0°
C2	C3	N1	C5	139.4°	85.0°
C3	C2	C1	H3	180.0°	180.0°
C3	C2	C1	H2	60.0°	60.0°
C3	C2	C1	H4	60.0°	59.9°
C3	C2	H6	H5	119.3°	120.1°
C2	C3	C4	H7	53.8°	65.1°
C2	C3	C4	H8	66.9°	175.0°
C2	C3	N1	H10	17.5°	95.0°
C3	C4	O1	H7	119.7°	120.0°
C3	C4	O1	H8	119.7°	120.0°
C4	C3	N1	H1	121.4°	120.0°
C4	C3	N1	C5	101.6°	155.0°
C4	C3	C2	H6	61.5°	55.1°
C4	C3	C2	H5	58.0°	65.0°
C3	C4	H7	H8	121.0°	120.0°
C4	C3	N1	H10	136.5°	25.0°
C3	C4	O1	H9	180.0°	179.9°
O1	C4	C3	N1	53.1°	65.0°
O1	C4	C3	H1	68.9°	175.0°
O1	C4	H7	H8	121.0°	120.0°
C3	N1	C5	H10	121.9°	180.0°
C3	N1	C5	C8	173.5°	180.0°
C3	N1	C5	N2	6.7°	0.0°
N1	C3	C2	H6	60.6°	175.0°
N1	C3	C2	H5	179.8°	55.0°
N1	C3	C4	H7	66.6°	174.9°
N1	C3	C4	H8	172.8°	55.0°
N1	C5	C8	N2	179.8°	180.0°
N1	C5	C8	C9	0.1°	0.0°
N1	C5	C8	C7	179.6°	180.0°
N1	C5	N2	C6	179.8°	180.0°
C5	N1	C3	H1	19.8°	35.0°
C5	C8	C9	C7	179.5°	180.0°
C5	C8	C9	C10	179.6°	180.0°
C8	C5	N2	C6	0.0°	0.0°
C5	C8	C7	N4	179.6°	180.0°
C5	C8	C7	N3	0.6°	0.0°
C5	C8	C9	H12	0.4°	0.0°
C8	C5	N1	H10	64.6°	0.0°
N2	C5	C8	C9	180.0°	180.0°
N2	C5	C8	C7	0.5°	0.0°
C5	N2	C6	N3	0.6°	0.0°
C5	N2	C6	H11	179.4°	180.0°
N2	C5	N1	H10	115.2°	180.0°
C8	C9	C10	H12	180.0°	180.0°
C8	C9	C10	N4	0.2°	0.0°
C9	C8	C7	N4	0.1°	0.0°
C9	C8	C7	N3	179.7°	180.0°
C8	C9	C10	H13	179.8°	180.0°
C10	C9	C8	C7	0.0°	0.0°
C9	C10	N4	H13	180.0°	179.9°
C9	C10	N4	C7	0.2°	0.0°
C9	C10	N4	H14	179.8°	180.0°
C8	C7	N4	C10	0.2°	0.0°
C8	C7	N4	N3	179.8°	180.0°
C8	C7	N3	C6	0.1°	0.0°
C7	C8	C9	H12	180.0°	180.0°
C8	C7	N4	H14	179.8°	180.0°
N2	C6	N3	C7	0.6°	0.0°
N2	C6	N3	H11	180.0°	180.0°
C10	N4	C7	H14	180.0°	180.0°
C10	N4	C7	N3	179.6°	180.0°
N4	C10	C9	H12	179.8°	180.0°
N4	C7	N3	C6	179.9°	179.9°
C7	N4	C10	H13	179.7°	179.9°
C7	N3	C6	H11	179.4°	180.0°
N3	C7	N4	H14	0.4°	0.0°
H1	C3	C2	H6	179.1°	65.0°
H1	C3	C2	H5	59.6°	174.9°
H1	C3	C4	H7	171.4°	55.0°
H1	C3	C4	H8	50.7°	65.0°
H1	C3	N1	H10	102.1°	145.0°
H12	C9	C10	H13	0.2°	0.0°
H3	C1	H2	H4	119.9°	120.0°
H3	C1	C2	H6	59.8°	60.0°
H3	C1	C2	H5	59.8°	59.9°
H2	C1	C2	H6	60.3°	180.0°
H2	C1	C2	H5	179.8°	60.0°
H4	C1	C2	H6	179.7°	60.0°
H4	C1	C2	H5	60.2°	180.0°
H13	C10	N4	H14	0.2°	0.1°
H7	C4	O1	H9	60.3°	60.0°
H8	C4	O1	H9	60.3°	60.0°

Release date:	2025-06-11
Definition date:	2024-09-22
Last modified:	2025-06-06
Release status:	REL
Processing site:	RCSB
Derived from:	7HDU