A1A9F

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	sing	1.47Å	1.47Å
C2	N1	sing	1.35Å	1.40Å	Aromatic
C2	C3	doub	1.35Å	1.40Å	Aromatic
N1	N6	sing	1.40Å	1.36Å	Aromatic
C3	C4	sing	1.51Å	1.49Å
C3	C13	sing	1.40Å	1.44Å	Aromatic
C4	C5	sing	1.53Å	1.56Å
N6	C13	doub	1.31Å	1.35Å	Aromatic
O1	C6	sing	1.43Å	1.39Å
C6	C5	sing	1.53Å	1.56Å
C5	N2	sing	1.46Å	1.47Å
N2	C7	sing	1.38Å	1.38Å
C7	C10	doub	1.40Å	1.42Å	Aromatic
C7	N3	sing	1.33Å	1.37Å	Aromatic
C11	C10	sing	1.46Å	1.43Å	Aromatic
C11	C12	doub	1.34Å	1.38Å	Aromatic
C10	C9	sing	1.41Å	1.42Å	Aromatic
N3	C8	doub	1.32Å	1.36Å	Aromatic
C12	N5	sing	1.37Å	1.41Å	Aromatic
C8	N4	sing	1.31Å	1.34Å	Aromatic
C9	N5	sing	1.37Å	1.38Å	Aromatic
C9	N4	doub	1.33Å	1.37Å	Aromatic
N2	H11	sing	0.97Å	1.00Å
C6	H9	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C12	H14	sing	1.08Å	1.08Å
C1	H4	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C11	H13	sing	1.08Å	1.08Å
C13	H16	sing	1.08Å	1.08Å
C2	H5	sing	1.08Å	1.08Å
C4	H6	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C5	H1	sing	1.09Å	1.10Å
C8	H12	sing	1.08Å	1.08Å
N5	H15	sing	0.97Å	1.00Å
O1	H10	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	C2	126.9°	126.1°
C1	N1	N6	121.1°	126.0°
N1	C1	H4	109.5°	109.4°
N1	C1	H3	109.5°	109.5°
N1	C1	H2	109.5°	109.4°
N1	C2	C3	106.5°	107.8°
C2	N1	N6	112.0°	107.9°
N1	C2	H5	126.8°	126.1°
C2	C3	C4	128.4°	126.1°
C2	C3	C13	104.8°	107.9°
C3	C2	H5	126.8°	126.1°
N1	N6	C13	105.6°	108.2°
C4	C3	C13	126.8°	126.1°
C3	C4	C5	116.8°	109.5°
C3	C4	H6	107.6°	109.4°
C3	C4	H7	107.6°	109.5°
C3	C13	N6	111.2°	108.2°
C3	C13	H16	124.4°	125.8°
C4	C5	C6	107.7°	109.4°
C4	C5	N2	111.7°	109.5°
C5	C4	H6	107.6°	109.5°
C5	C4	H7	107.6°	109.5°
C4	C5	H1	109.4°	109.5°
N6	C13	H16	124.4°	125.9°
O1	C6	C5	106.4°	109.5°
O1	C6	H9	110.3°	109.4°
O1	C6	H8	110.2°	109.5°
C6	O1	H10	109.5°	114.0°
C6	C5	N2	108.1°	109.5°
C5	C6	H9	110.2°	109.4°
C5	C6	H8	110.3°	109.5°
C6	C5	H1	109.4°	109.5°
C5	N2	C7	123.8°	120.0°
C5	N2	H11	105.8°	120.0°
N2	C5	H1	110.5°	109.5°
N2	C7	C10	123.1°	120.8°
N2	C7	N3	116.8°	120.9°
C7	N2	H11	105.8°	120.0°
C10	C7	N3	120.0°	118.3°
C7	C10	C11	139.0°	135.1°
C7	C10	C9	115.1°	118.6°
C7	N3	C8	118.0°	121.1°
C10	C11	C12	108.5°	106.8°
C11	C10	C9	105.8°	106.2°
C10	C11	H13	125.8°	126.6°
C11	C12	N5	108.6°	109.8°
C11	C12	H14	125.7°	125.1°
C12	C11	H13	125.8°	126.6°
C10	C9	N5	109.0°	107.1°
C10	C9	N4	126.2°	118.6°
N3	C8	N4	128.3°	122.7°
N3	C8	H12	115.9°	118.6°
C12	N5	C9	108.1°	110.0°
N5	C12	H14	125.7°	125.1°
C12	N5	H15	126.0°	125.0°
C8	N4	C9	112.3°	120.7°
N4	C8	H12	115.8°	118.6°
N5	C9	N4	124.8°	134.3°
C9	N5	H15	125.9°	125.0°
H9	C6	H8	109.4°	109.5°
H4	C1	H3	109.5°	109.5°
H4	C1	H2	109.4°	109.5°
H3	C1	H2	109.5°	109.5°
H6	C4	H7	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	C2	N6	179.6°	179.8°
C1	N1	C2	C3	179.8°	179.9°
C1	N1	N6	C13	180.0°	179.8°
N1	C1	H4	H3	120.0°	120.0°
N1	C1	H4	H2	120.0°	120.0°
N1	C1	H3	H2	120.0°	120.0°
C1	N1	C2	H5	0.2°	0.1°
N1	C2	C3	H5	180.0°	179.9°
N1	C2	C3	C4	179.9°	180.0°
N1	C2	C3	C13	0.1°	0.2°
C2	N1	N6	C13	0.4°	0.1°
C2	N1	C1	H4	179.6°	90.0°
C2	N1	C1	H3	60.4°	150.0°
C2	N1	C1	H2	59.6°	30.0°
C3	C2	N1	N6	0.2°	0.2°
C2	C3	C4	C13	179.8°	179.8°
C2	C3	C4	C5	131.5°	90.2°
C2	C3	C13	N6	0.3°	0.2°
C2	C3	C13	H16	179.7°	179.7°
C2	C3	C4	H6	10.5°	29.8°
C2	C3	C4	H7	107.4°	149.7°
N1	N6	C13	C3	0.4°	0.1°
N6	N1	C1	H4	0.0°	90.3°
N6	N1	C1	H3	120.0°	29.7°
N6	N1	C1	H2	120.0°	149.8°
N1	N6	C13	H16	179.6°	179.9°
N6	N1	C2	H5	179.8°	179.9°
C3	C4	C5	H6	121.0°	120.0°
C3	C4	C5	H7	121.1°	120.0°
C4	C3	C13	N6	179.9°	180.0°
C3	C4	C5	C6	171.4°	175.0°
C3	C4	C5	N2	70.0°	65.0°
C4	C3	C13	H16	0.1°	0.1°
C4	C3	C2	H5	0.1°	0.1°
C3	C4	H6	H7	116.6°	120.0°
C3	C4	C5	H1	52.6°	55.0°
C13	C3	C4	C5	48.7°	90.0°
C3	C13	N6	H16	180.0°	179.9°
C13	C3	C2	H5	179.9°	179.9°
C13	C3	C4	H6	169.8°	150.0°
C13	C3	C4	H7	72.3°	30.1°
C4	C5	C6	O1	61.8°	55.0°
C4	C5	C6	N2	120.9°	120.0°
C4	C5	C6	H1	118.7°	120.0°
C4	C5	N2	H1	122.0°	120.0°
C4	C5	N2	C7	156.5°	155.0°
C4	C5	N2	H11	81.6°	25.2°
C4	C5	C6	H9	178.7°	174.9°
C4	C5	C6	H8	57.7°	65.0°
C5	C4	H6	H7	116.7°	120.1°
O1	C6	C5	H9	119.5°	119.9°
O1	C6	C5	H8	119.5°	120.0°
O1	C6	C5	N2	177.3°	65.0°
O1	C6	H9	H8	121.4°	120.0°
O1	C6	C5	H1	57.0°	175.0°
C6	C5	N2	H1	119.7°	120.0°
C6	C5	N2	C7	85.2°	85.0°
C6	C5	N2	H11	36.7°	94.8°
C5	C6	H9	H8	121.4°	120.1°
C6	C5	C4	H6	50.4°	55.0°
C6	C5	C4	H7	67.5°	65.0°
C5	C6	O1	H10	180.0°	180.0°
C5	N2	C7	H11	122.0°	179.8°
C5	N2	C7	C10	176.0°	179.7°
C5	N2	C7	N3	4.3°	0.3°
N2	C5	C6	H9	57.8°	54.9°
N2	C5	C6	H8	63.1°	175.0°
N2	C5	C4	H6	168.9°	175.0°
N2	C5	C4	H7	51.0°	55.0°
N2	C7	C10	N3	179.7°	180.0°
N2	C7	C10	C11	0.6°	0.1°
N2	C7	C10	C9	179.9°	179.9°
N2	C7	N3	C8	179.8°	180.0°
C7	N2	C5	H1	34.4°	35.0°
C7	C10	C11	C9	179.4°	179.9°
C7	C10	C11	C12	180.0°	179.9°
C10	C7	N3	C8	0.5°	0.1°
C7	C10	C9	N5	179.9°	180.0°
C7	C10	C9	N4	0.3°	0.1°
C10	C7	N2	H11	62.0°	0.1°
C7	C10	C11	H13	0.0°	0.0°
N3	C7	C10	C11	179.2°	180.0°
N3	C7	C10	C9	0.2°	0.1°
C7	N3	C8	N4	0.3°	0.2°
N3	C7	N2	H11	117.7°	179.9°
C7	N3	C8	H12	179.7°	179.8°
C10	C11	C12	H13	180.0°	180.0°
C10	C11	C12	N5	0.5°	0.0°
C11	C10	C9	N5	0.5°	0.1°
C11	C10	C9	N4	179.9°	179.8°
C10	C11	C12	H14	179.5°	180.0°
C12	C11	C10	C9	0.6°	0.0°
C11	C12	N5	H14	180.0°	180.0°
C11	C12	N5	C9	0.2°	0.0°
C11	C12	N5	H15	179.8°	179.7°
C10	C9	N5	C12	0.2°	0.0°
C10	C9	N4	C8	0.5°	0.3°
C10	C9	N5	N4	179.6°	179.8°
C9	C10	C11	H13	179.4°	179.9°
C10	C9	N5	H15	179.8°	179.7°
N3	C8	N4	H12	180.0°	179.6°
N3	C8	N4	C9	0.2°	0.4°
C12	N5	C9	H15	180.0°	179.7°
C12	N5	C9	N4	179.9°	179.8°
N5	C12	C11	H13	179.5°	180.0°
C8	N4	C9	N5	180.0°	179.9°
C9	N5	C12	H14	179.8°	180.0°
C9	N4	C8	H12	179.9°	180.0°
N4	C9	N5	H15	0.2°	0.1°
H11	N2	C5	H1	156.4°	145.2°
H9	C6	C5	H1	62.6°	65.1°
H9	C6	O1	H10	60.5°	60.1°
H8	C6	C5	H1	176.5°	55.0°
H8	C6	O1	H10	60.5°	59.9°
H14	C12	C11	H13	0.5°	0.1°
H14	C12	N5	H15	0.2°	0.3°
H4	C1	H3	H2	120.0°	120.0°
H6	C4	C5	H1	68.4°	65.0°
H7	C4	C5	H1	173.7°	175.0°

Release date:	2025-06-11
Definition date:	2024-09-23
Last modified:	2025-06-06
Release status:	REL
Processing site:	RCSB
Derived from:	7HE3