A1BAD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	N1	doub	1.32Å	1.36Å	Aromatic
C8	C7	sing	1.38Å	1.40Å	Aromatic
N1	C4	sing	1.32Å	1.37Å	Aromatic
C7	C6	doub	1.39Å	1.39Å	Aromatic
C4	C3	sing	1.51Å	1.56Å
C4	C5	doub	1.38Å	1.41Å	Aromatic
O1	C1	sing	1.43Å	1.40Å
C6	C5	sing	1.39Å	1.40Å	Aromatic
C3	C2	sing	1.53Å	1.58Å
C2	C1	sing	1.53Å	1.59Å
C2	N2	sing	1.46Å	1.51Å
N2	C9	sing	1.38Å	1.43Å
C9	N3	doub	1.33Å	1.38Å	Aromatic
C9	C12	sing	1.40Å	1.44Å	Aromatic
C13	C12	sing	1.46Å	1.43Å	Aromatic
C13	C14	doub	1.34Å	1.38Å	Aromatic
N3	C10	sing	1.32Å	1.39Å	Aromatic
C12	C11	doub	1.41Å	1.42Å	Aromatic
C14	N5	sing	1.37Å	1.41Å	Aromatic
C10	N4	doub	1.32Å	1.35Å	Aromatic
C11	N5	sing	1.37Å	1.40Å	Aromatic
C11	N4	sing	1.33Å	1.37Å	Aromatic
N2	H11	sing	0.97Å	1.00Å
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C6	H8	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C10	H12	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C2	H1	sing	1.09Å	1.10Å
C5	H7	sing	1.08Å	1.08Å
C7	H9	sing	1.08Å	1.08Å
C8	H10	sing	1.08Å	1.08Å
N5	H15	sing	0.97Å	1.00Å
O1	H2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C8	C7	124.0°	120.7°
C8	N1	C4	119.3°	121.7°
N1	C8	H10	118.0°	119.6°
C8	C7	C6	116.8°	119.2°
C8	C7	H9	121.6°	120.4°
C7	C8	H10	118.0°	119.6°
N1	C4	C3	118.5°	119.6°
N1	C4	C5	119.0°	120.8°
C7	C6	C5	120.2°	118.4°
C7	C6	H8	119.9°	120.8°
C6	C7	H9	121.6°	120.4°
C3	C4	C5	122.6°	119.6°
C4	C3	C2	117.5°	109.4°
C4	C3	H5	107.4°	109.5°
C4	C3	H6	107.4°	109.5°
C4	C5	C6	120.7°	119.1°
C4	C5	H7	119.7°	120.5°
O1	C1	C2	108.4°	109.5°
O1	C1	H3	109.7°	109.4°
O1	C1	H4	109.7°	109.5°
C1	O1	H2	109.5°	114.0°
C5	C6	H8	119.9°	120.8°
C6	C5	H7	119.6°	120.4°
C3	C2	C1	110.2°	109.5°
C3	C2	N2	113.2°	109.5°
C2	C3	H5	107.4°	109.5°
C2	C3	H6	107.4°	109.5°
C3	C2	H1	106.6°	109.4°
C1	C2	N2	112.5°	109.5°
C2	C1	H3	109.7°	109.5°
C2	C1	H4	109.7°	109.5°
C1	C2	H1	106.5°	109.5°
C2	N2	C9	131.8°	120.0°
C2	N2	H11	103.6°	120.0°
N2	C2	H1	107.4°	109.5°
N2	C9	N3	120.9°	120.9°
N2	C9	C12	121.3°	120.8°
C9	N2	H11	103.6°	120.1°
N3	C9	C12	117.8°	118.3°
C9	N3	C10	118.8°	121.0°
C9	C12	C13	140.2°	135.1°
C9	C12	C11	115.6°	118.7°
C12	C13	C14	109.0°	106.8°
C13	C12	C11	104.3°	106.2°
C12	C13	H13	125.5°	126.6°
C13	C14	N5	110.1°	109.8°
C13	C14	H14	125.0°	125.1°
C14	C13	H13	125.5°	126.5°
N3	C10	N4	129.1°	122.7°
N3	C10	H12	115.4°	118.6°
C12	C11	N5	111.7°	107.2°
C12	C11	N4	129.0°	118.6°
C14	N5	C11	105.0°	110.0°
N5	C14	H14	124.9°	125.1°
C14	N5	H15	127.5°	125.0°
C10	N4	C11	109.6°	120.7°
N4	C10	H12	115.4°	118.7°
N5	C11	N4	119.3°	134.3°
C11	N5	H15	127.5°	125.0°
H5	C3	H6	109.5°	109.5°
H3	C1	H4	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C8	C7	H10	180.0°	179.7°
N1	C8	C7	C6	0.1°	0.0°
C8	N1	C4	C3	179.7°	179.9°
C8	N1	C4	C5	0.7°	0.6°
N1	C8	C7	H9	180.0°	179.9°
C7	C8	N1	C4	0.3°	0.3°
C8	C7	C6	H9	180.0°	179.9°
C8	C7	C6	C5	0.0°	0.0°
C8	C7	C6	H8	180.0°	179.7°
N1	C4	C3	C5	179.0°	179.5°
N1	C4	C5	C6	0.7°	0.6°
N1	C4	C3	C2	133.1°	54.5°
N1	C4	C3	H5	105.8°	174.4°
N1	C4	C3	H6	12.0°	65.5°
N1	C4	C5	H7	179.3°	179.4°
C4	N1	C8	H10	179.7°	180.0°
C7	C6	C5	C4	0.4°	0.3°
C7	C6	C5	H8	180.0°	179.7°
C7	C6	C5	H7	179.6°	179.8°
C6	C7	C8	H10	180.0°	179.6°
C3	C4	C5	C6	179.7°	179.9°
C4	C3	C2	H5	121.1°	120.0°
C4	C3	C2	H6	121.1°	120.0°
C4	C3	C2	C1	173.6°	175.0°
C4	C3	C2	N2	59.4°	65.0°
C4	C3	H5	H6	116.4°	120.1°
C4	C3	C2	H1	58.4°	55.0°
C3	C4	C5	H7	0.3°	0.0°
C4	C5	C6	H7	180.0°	180.0°
C5	C4	C3	C2	47.9°	125.0°
C5	C4	C3	H5	73.2°	5.1°
C5	C4	C3	H6	169.1°	115.0°
C4	C5	C6	H8	179.6°	180.0°
O1	C1	C2	C3	40.5°	55.0°
O1	C1	C2	H3	119.9°	119.9°
O1	C1	C2	H4	119.9°	120.0°
O1	C1	C2	N2	167.8°	65.0°
O1	C1	H3	H4	120.5°	120.0°
O1	C1	C2	H1	74.8°	174.9°
C5	C6	C7	H9	180.0°	179.9°
C3	C2	C1	N2	127.4°	120.0°
C3	C2	C1	H1	115.2°	119.9°
C3	C2	N2	H1	117.4°	120.0°
C3	C2	N2	C9	76.8°	155.0°
C3	C2	N2	H11	160.4°	25.3°
C2	C3	H5	H6	116.3°	120.0°
C3	C2	C1	H3	79.4°	65.0°
C3	C2	C1	H4	160.3°	175.0°
C1	C2	N2	H1	116.9°	120.0°
C1	C2	N2	C9	49.0°	85.0°
C1	C2	N2	H11	73.9°	94.7°
C1	C2	C3	H5	65.2°	55.0°
C1	C2	C3	H6	52.5°	65.0°
C2	C1	H3	H4	120.5°	120.0°
C2	C1	O1	H2	180.0°	180.0°
C2	N2	C9	H11	122.9°	179.7°
C2	N2	C9	N3	4.9°	0.3°
C2	N2	C9	C12	175.2°	179.4°
N2	C2	C3	H5	61.7°	175.0°
N2	C2	C3	H6	179.4°	55.0°
N2	C2	C1	H3	48.0°	175.0°
N2	C2	C1	H4	72.3°	55.0°
N2	C9	N3	C12	179.9°	179.7°
N2	C9	C12	C13	0.3°	0.1°
N2	C9	N3	C10	180.0°	180.0°
N2	C9	C12	C11	180.0°	180.0°
C9	N2	C2	H1	165.9°	35.0°
N3	C9	C12	C13	179.7°	179.8°
N3	C9	C12	C11	0.1°	0.4°
C9	N3	C10	N4	0.0°	0.0°
N3	C9	N2	H11	127.7°	179.9°
C9	N3	C10	H12	180.0°	179.7°
C9	C12	C13	C11	179.7°	179.9°
C9	C12	C13	C14	179.9°	179.9°
C12	C9	N3	C10	0.0°	0.3°
C9	C12	C11	N5	179.8°	180.0°
C9	C12	C11	N4	0.1°	0.1°
C12	C9	N2	H11	52.4°	0.3°
C9	C12	C13	H13	0.1°	0.0°
C12	C13	C14	H13	180.0°	179.9°
C12	C13	C14	N5	0.3°	0.1°
C13	C12	C11	N5	0.1°	0.0°
C13	C12	C11	N4	179.9°	180.0°
C12	C13	C14	H14	179.7°	180.0°
C14	C13	C12	C11	0.2°	0.0°
C13	C14	N5	H14	180.0°	179.9°
C13	C14	N5	C11	0.2°	0.1°
C13	C14	N5	H15	179.8°	180.0°
N3	C10	N4	H12	180.0°	179.7°
N3	C10	N4	C11	0.1°	0.3°
C12	C11	N5	C14	0.1°	0.1°
C12	C11	N4	C10	0.1°	0.2°
C12	C11	N5	N4	180.0°	179.9°
C11	C12	C13	H13	179.8°	179.9°
C12	C11	N5	H15	179.9°	180.0°
C14	N5	C11	H15	180.0°	179.9°
C14	N5	C11	N4	180.0°	180.0°
N5	C14	C13	H13	179.7°	180.0°
C10	N4	C11	N5	179.9°	179.7°
C11	N5	C14	H14	179.8°	180.0°
C11	N4	C10	H12	180.0°	180.0°
N4	C11	N5	H15	0.0°	0.1°
H11	N2	C2	H1	43.0°	145.3°
H5	C3	C2	H1	179.6°	65.0°
H6	C3	C2	H1	62.7°	175.0°
H8	C6	C5	H7	0.4°	0.0°
H8	C6	C7	H9	0.1°	0.2°
H14	C14	C13	H13	0.3°	0.1°
H14	C14	N5	H15	0.2°	0.1°
H3	C1	C2	H1	165.4°	55.0°
H3	C1	O1	H2	60.2°	60.1°
H4	C1	C2	H1	45.1°	65.0°
H4	C1	O1	H2	60.1°	60.0°
H9	C7	C8	H10	0.0°	0.3°

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