A1A9X

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C3	sing	1.55Å	1.53Å
C4	C5	sing	1.57Å	1.52Å
C4	C12	sing	1.56Å	1.58Å
C3	C2	sing	1.55Å	1.59Å
C5	N1	sing	1.50Å	1.62Å
C12	C2	sing	1.56Å	1.53Å
C2	N1	sing	1.50Å	1.52Å
C2	C1	sing	1.53Å	1.44Å
N1	C6	sing	1.38Å	1.48Å
C1	O1	sing	1.43Å	1.41Å
C8	C7	sing	1.46Å	1.44Å	Aromatic
C8	C9	doub	1.34Å	1.38Å	Aromatic
C6	C7	doub	1.40Å	1.38Å	Aromatic
C6	N4	sing	1.33Å	1.37Å	Aromatic
C7	C10	sing	1.41Å	1.44Å	Aromatic
C9	N2	sing	1.37Å	1.41Å	Aromatic
N4	C11	doub	1.32Å	1.37Å	Aromatic
C10	N2	sing	1.37Å	1.38Å	Aromatic
C10	N3	doub	1.33Å	1.33Å	Aromatic
C11	N3	sing	1.31Å	1.34Å	Aromatic
N2	H11	sing	0.97Å	1.00Å
C3	H5	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C9	H10	sing	1.08Å	1.08Å
C12	H14	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C11	H12	sing	1.08Å	1.08Å
C4	H6	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C8	H9	sing	1.08Å	1.08Å
O1	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C4	C5	95.4°	101.8°
C3	C4	C12	88.6°	81.5°
C4	C3	C2	85.7°	82.0°
C4	C3	H5	115.1°	114.4°
C4	C3	H4	115.0°	114.5°
C3	C4	H6	123.9°	120.9°
C5	C4	C12	92.5°	106.5°
C4	C5	N1	102.2°	99.2°
C5	C4	H6	124.3°	118.4°
C4	C5	H8	111.2°	111.4°
C4	C5	H7	111.3°	111.5°
C4	C12	C2	86.3°	81.5°
C4	C12	H14	114.9°	114.5°
C4	C12	H13	114.9°	114.5°
C12	C4	H6	122.8°	120.9°
C3	C2	C12	88.2°	81.7°
C3	C2	N1	90.9°	103.5°
C3	C2	C1	114.1°	119.9°
C2	C3	H5	115.1°	114.4°
C2	C3	H4	115.0°	114.4°
C5	N1	C2	96.0°	101.0°
C5	N1	C6	124.4°	111.0°
N1	C5	H8	111.3°	111.4°
N1	C5	H7	111.3°	111.5°
C12	C2	N1	103.7°	108.3°
C12	C2	C1	118.8°	119.2°
C2	C12	H14	114.9°	114.6°
C2	C12	H13	114.9°	114.5°
N1	C2	C1	130.0°	118.0°
C2	N1	C6	105.6°	111.0°
C2	C1	O1	103.8°	109.4°
C2	C1	H2	110.9°	109.5°
C2	C1	H3	110.9°	109.5°
N1	C6	C7	109.6°	120.8°
N1	C6	N4	129.9°	120.8°
O1	C1	H2	110.9°	109.4°
O1	C1	H3	110.9°	109.5°
C1	O1	H1	109.5°	114.0°
C7	C8	C9	103.3°	106.8°
C8	C7	C6	134.1°	135.1°
C8	C7	C10	111.7°	106.2°
C7	C8	H9	128.3°	126.6°
C8	C9	N2	111.0°	109.8°
C8	C9	H10	124.5°	125.1°
C9	C8	H9	128.3°	126.6°
C7	C6	N4	120.4°	118.4°
C6	C7	C10	114.2°	118.7°
C6	N4	C11	120.3°	121.0°
C7	C10	N2	103.6°	107.1°
C7	C10	N3	126.0°	118.5°
C9	N2	C10	110.4°	110.1°
C9	N2	H11	124.8°	125.0°
N2	C9	H10	124.5°	125.1°
N4	C11	N3	123.6°	122.7°
N4	C11	H12	118.2°	118.6°
N2	C10	N3	130.4°	134.4°
C10	N2	H11	124.8°	124.9°
C10	N3	C11	115.5°	120.7°
N3	C11	H12	118.2°	118.6°
H5	C3	H4	109.4°	113.5°
H14	C12	H13	109.5°	113.5°
H2	C1	H3	109.5°	109.5°
H8	C5	H7	109.5°	111.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C4	C5	C12	88.8°	84.5°
C3	C4	C5	H6	137.9°	135.3°
C3	C4	C12	H6	130.3°	121.1°
C4	C3	C2	H5	115.7°	113.3°
C4	C3	C2	H4	115.7°	113.3°
C3	C4	C5	N1	35.4°	43.3°
C3	C4	C12	C2	25.5°	41.5°
C4	C3	C2	N1	78.4°	65.2°
C4	C3	C2	C1	146.3°	160.8°
C4	C3	H5	H4	131.3°	133.9°
C3	C4	C12	H14	90.3°	154.7°
C3	C4	C12	H13	141.3°	71.6°
C3	C4	C5	H8	154.2°	160.8°
C3	C4	C5	H7	83.5°	74.2°
C5	C4	C12	H6	134.4°	139.0°
C5	C4	C3	C2	68.0°	63.4°
C4	C5	N1	H8	118.8°	117.5°
C4	C5	N1	H7	118.8°	117.5°
C5	C4	C12	C2	69.8°	58.4°
C4	C5	N1	C2	13.6°	0.1°
C4	C5	N1	C6	127.1°	117.9°
C5	C4	C3	H5	47.7°	176.7°
C5	C4	C3	H4	176.4°	49.8°
C5	C4	C12	H14	174.4°	54.8°
C5	C4	C12	H13	45.9°	171.5°
C4	C5	H8	H7	123.4°	125.1°
C12	C4	C5	N1	53.4°	41.2°
C4	C12	C2	H14	115.8°	113.2°
C4	C12	C2	H13	115.8°	113.2°
C4	C12	C2	N1	65.9°	59.9°
C4	C12	C2	C1	141.2°	161.3°
C12	C4	C3	H5	140.2°	71.6°
C12	C4	C3	H4	91.2°	155.0°
C4	C12	H14	H13	131.1°	134.1°
C12	C4	C5	H8	65.4°	76.3°
C12	C4	C5	H7	172.3°	158.7°
C3	C2	N1	C5	54.8°	44.0°
C3	C2	C12	N1	90.5°	101.5°
C3	C2	C12	C1	116.7°	119.7°
C3	C2	N1	C1	123.1°	135.1°
C3	C2	N1	C6	176.9°	161.8°
C3	C2	C1	O1	145.5°	179.2°
C2	C3	H5	H4	131.4°	133.8°
C3	C2	C12	H14	91.3°	154.7°
C3	C2	C12	H13	140.3°	71.6°
C3	C2	C1	H2	95.4°	60.8°
C3	C2	C1	H3	26.4°	59.2°
C2	C3	C4	H6	153.9°	162.7°
C5	N1	C2	C12	33.6°	41.5°
C5	N1	C2	C6	128.3°	117.7°
C5	N1	C2	C1	177.9°	179.2°
C5	N1	C6	C7	54.2°	131.7°
C5	N1	C6	N4	129.1°	48.3°
N1	C5	C4	H6	173.3°	178.6°
N1	C5	H8	H7	123.4°	125.1°
C12	C2	N1	C1	148.5°	139.3°
C12	C2	N1	C6	94.7°	76.2°
C12	C2	C1	O1	43.5°	81.7°
C12	C2	C3	H5	141.0°	71.5°
C12	C2	C3	H4	90.4°	155.1°
C2	C12	H14	H13	131.0°	134.1°
C12	C2	C1	H2	162.6°	158.3°
C12	C2	C1	H3	75.6°	38.3°
C2	C12	C4	H6	155.8°	162.6°
N1	C2	C1	O1	101.1°	53.1°
C2	N1	C6	C7	163.1°	116.8°
C2	N1	C6	N4	20.2°	63.2°
N1	C2	C3	H5	37.3°	178.4°
N1	C2	C3	H4	165.9°	48.2°
N1	C2	C12	H14	178.2°	53.2°
N1	C2	C12	H13	49.9°	173.1°
N1	C2	C1	H2	18.0°	66.8°
N1	C2	C1	H3	139.8°	173.1°
C2	N1	C5	H8	105.2°	117.4°
C2	N1	C5	H7	132.4°	117.7°
C1	C2	N1	C6	53.8°	63.1°
C2	C1	O1	H2	119.1°	119.9°
C2	C1	O1	H3	119.1°	120.0°
C1	C2	C3	H5	98.0°	47.5°
C1	C2	C3	H4	30.6°	85.9°
C1	C2	C12	H14	25.4°	85.5°
C1	C2	C12	H13	103.0°	48.1°
C2	C1	H2	H3	122.6°	120.0°
C2	C1	O1	H1	180.0°	179.9°
N1	C6	C7	C8	2.5°	0.2°
N1	C6	C7	N4	177.0°	180.0°
N1	C6	C7	C10	178.8°	180.0°
N1	C6	N4	C11	178.1°	179.9°
C6	N1	C5	H8	8.4°	0.4°
C6	N1	C5	H7	114.1°	124.6°
O1	C1	H2	H3	122.7°	120.0°
C7	C8	C9	H9	180.0°	179.8°
C8	C7	C6	C10	178.7°	179.8°
C8	C7	C6	N4	179.6°	179.8°
C7	C8	C9	N2	0.4°	0.2°
C8	C7	C10	N2	0.1°	0.1°
C8	C7	C10	N3	179.9°	179.9°
C7	C8	C9	H10	179.6°	180.0°
C9	C8	C7	C6	178.4°	179.8°
C9	C8	C7	C10	0.3°	0.0°
C8	C9	N2	H10	180.0°	179.8°
C8	C9	N2	C10	0.4°	0.3°
C8	C9	N2	H11	179.6°	180.0°
C7	C6	N4	C11	1.7°	0.1°
C6	C7	C10	N2	178.9°	180.0°
C6	C7	C10	N3	1.1°	0.0°
C6	C7	C8	H9	1.6°	0.0°
N4	C6	C7	C10	1.7°	0.0°
C6	N4	C11	N3	0.9°	0.1°
C6	N4	C11	H12	179.1°	180.0°
C7	C10	N2	C9	0.2°	0.3°
C7	C10	N2	N3	180.0°	180.0°
C7	C10	N3	C11	0.3°	0.0°
C7	C10	N2	H11	179.8°	180.0°
C10	C7	C8	H9	179.7°	179.8°
C9	N2	C10	H11	180.0°	179.7°
C9	N2	C10	N3	179.8°	179.7°
N2	C9	C8	H9	179.6°	179.9°
N4	C11	N3	C10	0.2°	0.1°
N4	C11	N3	H12	180.0°	179.9°
N2	C10	N3	C11	179.7°	180.0°
C10	N2	C9	H10	179.6°	179.9°
N3	C10	N2	H11	0.2°	0.0°
C10	N3	C11	H12	179.8°	180.0°
H11	N2	C9	H10	0.4°	0.2°
H5	C3	C4	H6	90.4°	49.4°
H4	C3	C4	H6	38.2°	84.0°
H10	C9	C8	H9	0.4°	0.2°
H14	C12	C4	H6	40.0°	84.2°
H13	C12	C4	H6	88.4°	49.4°
H2	C1	O1	H1	60.9°	60.1°
H3	C1	O1	H1	60.9°	59.9°
H6	C4	C5	H8	67.9°	63.9°
H6	C4	C5	H7	54.4°	61.1°

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