A1AAE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C14	C9	sing	1.53Å	1.49Å
C9	N3	sing	1.47Å	1.45Å
N3	C1	sing	1.39Å	1.36Å
C1	N1	doub	1.33Å	1.34Å	Aromatic
C1	C2	sing	1.38Å	1.39Å	Aromatic
N1	C5	sing	1.31Å	1.32Å	Aromatic
C2	C3	doub	1.40Å	1.40Å	Aromatic
C5	C4	doub	1.40Å	1.41Å	Aromatic
C3	C4	sing	1.42Å	1.42Å	Aromatic
C3	C6	sing	1.40Å	1.41Å	Aromatic
C4	C8	sing	1.41Å	1.45Å	Aromatic
C6	C7	doub	1.39Å	1.37Å	Aromatic
C8	N6	sing	1.38Å	1.34Å
C8	N2	doub	1.32Å	1.34Å	Aromatic
C7	N2	sing	1.34Å	1.34Å	Aromatic
C7	C10	sing	1.48Å	1.48Å
C13	N4	sing	1.46Å	1.46Å
C10	N4	sing	1.38Å	1.43Å	Aromatic
C10	C12	doub	1.36Å	1.37Å	Aromatic
N4	C11	sing	1.35Å	1.35Å	Aromatic
C12	N5	sing	1.34Å	1.38Å	Aromatic
C11	N5	doub	1.31Å	1.32Å	Aromatic
N3	H4	sing	0.97Å	1.00Å
C5	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C13	H11	sing	1.09Å	1.10Å
C13	H9	sing	1.09Å	1.10Å
C13	H10	sing	1.09Å	1.10Å
N6	H13	sing	0.97Å	1.00Å
N6	H12	sing	0.97Å	1.00Å
C9	H6	sing	1.09Å	1.10Å
C9	H5	sing	1.09Å	1.10Å
C14	H14	sing	1.09Å	1.10Å
C14	H16	sing	1.09Å	1.10Å
C14	H15	sing	1.09Å	1.10Å
C2	H1	sing	1.08Å	1.08Å
C12	H8	sing	1.08Å	1.08Å
C11	H7	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C14	C9	N3	108.1°	109.5°
C14	C9	H6	109.8°	109.5°
C14	C9	H5	109.8°	109.5°
C9	C14	H14	109.5°	109.5°
C9	C14	H16	109.5°	109.4°
C9	C14	H15	109.4°	109.4°
C9	N3	C1	123.3°	120.0°
C9	N3	H4	105.9°	120.0°
N3	C9	H6	109.8°	109.5°
N3	C9	H5	109.8°	109.4°
N3	C1	N1	116.4°	119.2°
N3	C1	C2	120.3°	119.3°
C1	N3	H4	105.9°	120.0°
N1	C1	C2	123.2°	121.5°
C1	N1	C5	118.3°	122.7°
C1	C2	C3	118.3°	118.3°
C1	C2	H1	120.8°	120.8°
N1	C5	C4	124.8°	120.2°
N1	C5	H2	117.6°	119.9°
C2	C3	C4	119.4°	118.5°
C2	C3	C6	121.7°	122.9°
C3	C2	H1	120.9°	120.9°
C5	C4	C3	115.9°	118.8°
C5	C4	C8	127.4°	122.5°
C4	C5	H2	117.6°	119.9°
C4	C3	C6	118.7°	118.6°
C3	C4	C8	116.6°	118.7°
C3	C6	C7	120.0°	118.5°
C3	C6	H3	120.0°	120.8°
C4	C8	N6	120.6°	120.0°
C4	C8	N2	122.3°	119.9°
C6	C7	N2	122.6°	121.5°
C6	C7	C10	121.0°	119.2°
C7	C6	H3	120.0°	120.7°
N6	C8	N2	117.0°	120.0°
C8	N6	H13	109.5°	120.0°
C8	N6	H12	109.5°	120.0°
C8	N2	C7	119.7°	122.7°
N2	C7	C10	116.4°	119.3°
C7	C10	N4	126.3°	126.8°
C7	C10	C12	128.9°	126.8°
C13	N4	C10	128.0°	126.4°
C13	N4	C11	126.1°	126.5°
N4	C13	H11	109.5°	109.5°
N4	C13	H9	109.5°	109.4°
N4	C13	H10	109.5°	109.5°
N4	C10	C12	104.8°	106.4°
C10	N4	C11	105.9°	107.1°
C10	C12	N5	110.8°	107.9°
C10	C12	H8	124.6°	126.1°
N4	C11	N5	113.0°	109.0°
N4	C11	H7	123.5°	125.5°
C12	N5	C11	105.6°	109.5°
N5	C12	H8	124.6°	126.0°
N5	C11	H7	123.5°	125.5°
H11	C13	H9	109.5°	109.5°
H11	C13	H10	109.4°	109.5°
H9	C13	H10	109.5°	109.4°
H13	N6	H12	109.4°	120.0°
H6	C9	H5	109.5°	109.5°
H14	C14	H16	109.4°	109.5°
H14	C14	H15	109.5°	109.5°
H16	C14	H15	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C14	C9	N3	H6	119.8°	120.0°
C14	C9	N3	H5	119.8°	120.0°
C14	C9	N3	C1	133.0°	180.0°
C14	C9	N3	H4	105.1°	0.1°
C14	C9	H6	H5	120.6°	120.1°
C9	C14	H14	H16	120.0°	120.0°
C9	C14	H14	H15	120.0°	120.0°
C9	C14	H16	H15	120.0°	119.9°
C9	N3	C1	H4	121.9°	179.9°
C9	N3	C1	N1	148.8°	179.9°
C9	N3	C1	C2	34.1°	0.0°
N3	C9	H6	H5	120.6°	119.9°
N3	C9	C14	H14	180.0°	60.0°
N3	C9	C14	H16	60.0°	60.1°
N3	C9	C14	H15	60.0°	180.0°
N3	C1	N1	C2	177.0°	179.9°
N3	C1	N1	C5	175.7°	180.0°
N3	C1	C2	C3	175.3°	180.0°
C1	N3	C9	H6	13.2°	60.0°
C1	N3	C9	H5	107.2°	60.0°
N3	C1	C2	H1	4.7°	0.0°
N1	C1	C2	C3	1.5°	0.1°
C1	N1	C5	C4	0.3°	0.1°
N1	C1	N3	H4	89.3°	0.0°
C1	N1	C5	H2	179.7°	180.0°
N1	C1	C2	H1	178.5°	179.9°
C2	C1	N1	C5	1.3°	0.1°
C1	C2	C3	H1	180.0°	180.0°
C1	C2	C3	C4	0.1°	0.0°
C1	C2	C3	C6	175.7°	180.0°
C2	C1	N3	H4	87.8°	179.9°
N1	C5	C4	H2	180.0°	179.9°
N1	C5	C4	C3	1.6°	0.1°
N1	C5	C4	C8	174.1°	180.0°
C2	C3	C4	C5	1.3°	0.0°
C2	C3	C4	C6	175.9°	180.0°
C2	C3	C4	C8	174.9°	180.0°
C2	C3	C6	C7	173.6°	179.9°
C2	C3	C6	H3	6.4°	0.0°
C5	C4	C3	C8	176.2°	179.9°
C5	C4	C3	C6	177.2°	180.0°
C5	C4	C8	N6	0.0°	0.0°
C5	C4	C8	N2	175.9°	179.9°
C4	C3	C6	C7	2.2°	0.0°
C3	C4	C8	N6	175.7°	179.9°
C3	C4	C8	N2	0.2°	0.0°
C3	C4	C5	H2	178.4°	180.0°
C4	C3	C6	H3	177.8°	180.0°
C4	C3	C2	H1	179.9°	180.0°
C6	C3	C4	C8	1.0°	0.0°
C3	C6	C7	H3	180.0°	180.0°
C3	C6	C7	N2	2.7°	0.0°
C3	C6	C7	C10	174.3°	180.0°
C6	C3	C2	H1	4.3°	0.1°
C4	C8	N6	N2	176.1°	179.9°
C4	C8	N2	C7	0.6°	0.0°
C8	C4	C5	H2	5.8°	0.1°
C4	C8	N6	H13	176.1°	0.1°
C4	C8	N6	H12	56.1°	179.9°
C6	C7	N2	C8	1.8°	0.0°
C6	C7	N2	C10	177.2°	179.9°
C6	C7	C10	N4	25.1°	171.5°
C6	C7	C10	C12	153.0°	8.2°
N6	C8	N2	C7	175.5°	179.9°
C8	N6	H13	H12	120.0°	179.9°
C8	N2	C7	C10	175.3°	180.0°
N2	C8	N6	H13	0.0°	180.0°
N2	C8	N6	H12	120.0°	0.1°
N2	C7	C10	N4	152.1°	8.5°
N2	C7	C10	C12	29.8°	171.9°
N2	C7	C6	H3	177.3°	180.0°
C7	C10	N4	C13	4.1°	0.1°
C7	C10	N4	C12	178.5°	179.7°
C7	C10	N4	C11	177.7°	179.9°
C7	C10	C12	N5	178.0°	180.0°
C10	C7	C6	H3	5.7°	0.0°
C7	C10	C12	H8	2.0°	0.1°
C13	N4	C10	C11	178.2°	179.8°
C13	N4	C10	C12	177.4°	179.8°
C13	N4	C11	N5	177.3°	179.8°
N4	C13	H11	H9	120.0°	120.0°
N4	C13	H11	H10	120.0°	120.1°
N4	C13	H9	H10	120.0°	119.9°
C13	N4	C11	H7	2.7°	0.0°
N4	C10	C12	N5	0.4°	0.2°
C10	N4	C11	N5	0.9°	0.4°
C10	N4	C13	H11	180.0°	90.9°
C10	N4	C13	H9	60.0°	149.1°
C10	N4	C13	H10	60.0°	29.2°
N4	C10	C12	H8	179.6°	179.8°
C10	N4	C11	H7	179.1°	179.8°
C12	C10	N4	C11	0.8°	0.4°
C10	C12	N5	H8	180.0°	180.0°
C10	C12	N5	C11	0.1°	0.0°
N4	C11	N5	C12	0.7°	0.3°
N4	C11	N5	H7	180.0°	179.8°
C11	N4	C13	H11	2.2°	88.9°
C11	N4	C13	H9	122.2°	31.1°
C11	N4	C13	H10	117.8°	151.0°
C12	N5	C11	H7	179.4°	180.0°
C11	N5	C12	H8	179.9°	180.0°
H4	N3	C9	H6	135.1°	120.0°
H4	N3	C9	H5	14.7°	120.1°
H11	C13	H9	H10	120.0°	120.0°
H6	C9	C14	H14	60.2°	180.0°
H6	C9	C14	H16	59.7°	60.0°
H6	C9	C14	H15	179.7°	60.0°
H5	C9	C14	H14	60.2°	60.0°
H5	C9	C14	H16	179.8°	180.0°
H5	C9	C14	H15	59.8°	60.0°
H14	C14	H16	H15	120.0°	120.1°

Release date:	2025-01-22
Definition date:	2023-12-12
Last modified:	2025-01-17
Release status:	REL
Processing site:	RCSB
Derived from:	8V5H