A1BAE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	N1	doub	1.32Å	1.35Å	Aromatic
C8	C7	sing	1.38Å	1.40Å	Aromatic
N1	C4	sing	1.32Å	1.36Å	Aromatic
C7	C6	doub	1.39Å	1.39Å	Aromatic
C4	C3	sing	1.51Å	1.52Å
C4	C5	doub	1.38Å	1.41Å	Aromatic
C3	C2	sing	1.53Å	1.56Å
O1	C1	sing	1.43Å	1.39Å
C6	C5	sing	1.39Å	1.39Å	Aromatic
C1	C2	sing	1.53Å	1.56Å
C2	N2	sing	1.47Å	1.47Å
N2	C9	sing	1.38Å	1.39Å
C9	C12	doub	1.40Å	1.42Å	Aromatic
C9	N3	sing	1.33Å	1.37Å	Aromatic
C13	C12	sing	1.46Å	1.43Å	Aromatic
C13	C14	doub	1.34Å	1.38Å	Aromatic
C12	C11	sing	1.41Å	1.42Å	Aromatic
N3	C10	doub	1.32Å	1.37Å	Aromatic
C14	N5	sing	1.37Å	1.41Å	Aromatic
C11	N5	sing	1.37Å	1.39Å	Aromatic
C11	N4	doub	1.33Å	1.38Å	Aromatic
C10	N4	sing	1.32Å	1.35Å	Aromatic
O1	H2	sing	0.97Å	0.95Å
C1	H4	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C2	H1	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C5	H7	sing	1.08Å	1.08Å
C6	H8	sing	1.08Å	1.08Å
C7	H9	sing	1.08Å	1.08Å
C8	H10	sing	1.08Å	1.08Å
C10	H12	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
N2	H11	sing	0.97Å	1.00Å
N5	H15	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C8	C7	124.3°	120.7°
C8	N1	C4	117.5°	121.8°
N1	C8	H10	117.9°	119.7°
C8	C7	C6	117.6°	119.2°
C8	C7	H9	121.2°	120.4°
C7	C8	H10	117.8°	119.6°
N1	C4	C3	116.5°	119.6°
N1	C4	C5	121.6°	120.7°
C7	C6	C5	119.5°	118.4°
C7	C6	H8	120.2°	120.8°
C6	C7	H9	121.2°	120.4°
C3	C4	C5	121.9°	119.6°
C4	C3	C2	117.2°	109.5°
C4	C3	H6	107.5°	109.4°
C4	C3	H5	107.5°	109.4°
C4	C5	C6	119.4°	119.2°
C4	C5	H7	120.3°	120.4°
C3	C2	C1	108.4°	109.5°
C3	C2	N2	108.6°	109.5°
C3	C2	H1	109.4°	109.5°
C2	C3	H6	107.5°	109.5°
C2	C3	H5	107.5°	109.5°
O1	C1	C2	105.3°	109.4°
C1	O1	H2	109.5°	114.0°
O1	C1	H4	110.5°	109.5°
O1	C1	H3	110.5°	109.5°
C6	C5	H7	120.3°	120.4°
C5	C6	H8	120.2°	120.8°
C1	C2	N2	110.4°	109.5°
C2	C1	H4	110.5°	109.4°
C2	C1	H3	110.5°	109.5°
C1	C2	H1	109.4°	109.4°
C2	N2	C9	127.1°	120.0°
N2	C2	H1	110.6°	109.5°
C2	N2	H11	104.9°	120.0°
N2	C9	C12	121.0°	120.8°
N2	C9	N3	119.4°	120.9°
C9	N2	H11	104.9°	120.0°
C12	C9	N3	119.6°	118.3°
C9	C12	C13	137.8°	135.1°
C9	C12	C11	116.3°	118.7°
C9	N3	C10	117.5°	121.1°
C12	C13	C14	108.4°	106.8°
C13	C12	C11	105.9°	106.2°
C12	C13	H13	125.8°	126.6°
C13	C14	N5	109.1°	109.8°
C14	C13	H13	125.8°	126.6°
C13	C14	H14	125.4°	125.1°
C12	C11	N5	109.2°	107.2°
C12	C11	N4	126.0°	118.6°
N3	C10	N4	129.2°	122.7°
N3	C10	H12	115.4°	118.7°
C14	N5	C11	107.4°	110.0°
N5	C14	H14	125.5°	125.1°
C14	N5	H15	126.3°	125.0°
N5	C11	N4	124.8°	134.3°
C11	N5	H15	126.3°	125.0°
C11	N4	C10	111.4°	120.7°
N4	C10	H12	115.4°	118.6°
H4	C1	H3	109.5°	109.5°
H6	C3	H5	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C8	C7	H10	180.0°	179.5°
N1	C8	C7	C6	0.1°	0.2°
C8	N1	C4	C3	180.0°	179.7°
C8	N1	C4	C5	0.3°	0.4°
N1	C8	C7	H9	179.9°	179.8°
C7	C8	N1	C4	0.3°	0.5°
C8	C7	C6	H9	180.0°	180.0°
C8	C7	C6	C5	0.2°	0.0°
C8	C7	C6	H8	179.8°	180.0°
N1	C4	C3	C5	179.7°	179.9°
N1	C4	C3	C2	113.7°	55.2°
N1	C4	C5	C6	0.0°	0.2°
N1	C4	C3	H6	7.5°	175.2°
N1	C4	C3	H5	125.2°	64.8°
N1	C4	C5	H7	180.0°	179.8°
C4	N1	C8	H10	179.7°	180.0°
C7	C6	C5	C4	0.2°	0.0°
C7	C6	C5	H8	180.0°	180.0°
C7	C6	C5	H7	179.8°	180.0°
C6	C7	C8	H10	179.9°	179.8°
C4	C3	C2	H6	121.1°	120.0°
C4	C3	C2	H5	121.1°	120.0°
C3	C4	C5	C6	179.8°	180.0°
C4	C3	C2	C1	171.4°	175.0°
C4	C3	C2	N2	68.6°	65.0°
C4	C3	C2	H1	52.2°	55.0°
C4	C3	H6	H5	116.5°	119.9°
C3	C4	C5	H7	0.2°	0.1°
C5	C4	C3	C2	66.1°	125.0°
C4	C5	C6	H7	180.0°	180.0°
C5	C4	C3	H6	172.8°	4.9°
C5	C4	C3	H5	55.1°	115.0°
C4	C5	C6	H8	179.8°	180.0°
C3	C2	C1	O1	54.4°	55.0°
C3	C2	C1	N2	118.8°	120.0°
C3	C2	C1	H1	119.2°	120.0°
C3	C2	N2	H1	120.0°	120.0°
C3	C2	N2	C9	157.3°	155.1°
C3	C2	C1	H4	173.8°	65.0°
C3	C2	C1	H3	64.9°	175.0°
C2	C3	H6	H5	116.5°	120.1°
C3	C2	N2	H11	80.3°	25.0°
O1	C1	C2	H4	119.4°	120.0°
O1	C1	C2	H3	119.3°	120.0°
O1	C1	C2	N2	173.2°	65.0°
O1	C1	H4	H3	121.9°	120.0°
O1	C1	C2	H1	64.8°	175.0°
C5	C6	C7	H9	179.8°	180.0°
C1	C2	N2	H1	121.3°	120.0°
C1	C2	N2	C9	84.0°	85.0°
C2	C1	O1	H2	180.0°	179.9°
C2	C1	H4	H3	121.9°	120.0°
C1	C2	C3	H6	50.3°	65.0°
C1	C2	C3	H5	67.5°	55.0°
C1	C2	N2	H11	38.4°	95.0°
C2	N2	C9	H11	122.3°	180.0°
C2	N2	C9	C12	178.1°	180.0°
C2	N2	C9	N3	2.4°	0.7°
N2	C2	C1	H4	67.4°	175.0°
N2	C2	C1	H3	53.9°	55.0°
N2	C2	C3	H6	170.3°	55.0°
N2	C2	C3	H5	52.5°	175.0°
N2	C9	C12	N3	179.5°	179.3°
N2	C9	C12	C13	0.0°	0.7°
N2	C9	C12	C11	179.8°	180.0°
N2	C9	N3	C10	180.0°	179.8°
C9	N2	C2	H1	37.3°	35.0°
C9	C12	C13	C11	179.8°	179.4°
C9	C12	C13	C14	179.9°	179.4°
C12	C9	N3	C10	0.5°	0.4°
C9	C12	C11	N5	179.9°	179.5°
C9	C12	C11	N4	0.1°	0.4°
C9	C12	C13	H13	0.1°	0.7°
C12	C9	N2	H11	59.6°	0.0°
N3	C9	C12	C13	179.5°	180.0°
N3	C9	C12	C11	0.3°	0.7°
C9	N3	C10	N4	0.6°	0.1°
C9	N3	C10	H12	179.4°	179.7°
N3	C9	N2	H11	120.0°	179.3°
C12	C13	C14	H13	180.0°	179.9°
C12	C13	C14	N5	0.4°	0.0°
C13	C12	C11	N5	0.1°	0.0°
C13	C12	C11	N4	179.7°	180.0°
C12	C13	C14	H14	179.6°	180.0°
C14	C13	C12	C11	0.3°	0.0°
C13	C14	N5	H14	180.0°	180.0°
C13	C14	N5	C11	0.3°	0.0°
C13	C14	N5	H15	179.7°	179.9°
C12	C11	N5	C14	0.1°	0.0°
C12	C11	N5	N4	179.8°	180.0°
C12	C11	N4	C10	0.2°	0.1°
C11	C12	C13	H13	179.7°	179.9°
C12	C11	N5	H15	179.9°	179.9°
N3	C10	N4	C11	0.4°	0.3°
N3	C10	N4	H12	180.0°	179.7°
C14	N5	C11	H15	180.0°	179.9°
C14	N5	C11	N4	179.9°	180.0°
N5	C14	C13	H13	179.6°	179.9°
N5	C11	N4	C10	180.0°	180.0°
C11	N5	C14	H14	179.7°	180.0°
C11	N4	C10	H12	179.6°	180.0°
N4	C11	N5	H15	0.1°	0.1°
H2	O1	C1	H4	60.6°	60.0°
H2	O1	C1	H3	60.7°	60.1°
H4	C1	C2	H1	54.6°	55.0°
H3	C1	C2	H1	175.9°	65.0°
H1	C2	C3	H6	68.9°	175.0°
H1	C2	C3	H5	173.3°	65.0°
H1	C2	N2	H11	159.7°	145.0°
H7	C5	C6	H8	0.2°	0.0°
H8	C6	C7	H9	0.2°	0.0°
H9	C7	C8	H10	0.1°	0.3°
H13	C13	C14	H14	0.4°	0.0°
H14	C14	N5	H15	0.3°	0.1°

Release date:	2025-06-11
Definition date:	2024-09-24
Last modified:	2025-06-06
Release status:	REL
Processing site:	RCSB
Derived from:	7HEV