A1A96

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C8	sing	1.53Å	1.53Å
C9	C4	sing	1.53Å	1.54Å
C8	C7	sing	1.53Å	1.52Å
C3	C4	sing	1.53Å	1.55Å
C3	C2	sing	1.53Å	1.58Å
C7	C6	sing	1.53Å	1.51Å
C4	C5	sing	1.53Å	1.53Å
O1	C1	sing	1.43Å	1.40Å
C1	C2	sing	1.53Å	1.56Å
C5	C6	sing	1.53Å	1.48Å
C2	N1	sing	1.46Å	1.47Å
N1	C10	sing	1.38Å	1.39Å
C14	C13	sing	1.46Å	1.44Å	Aromatic
C14	C15	doub	1.34Å	1.39Å	Aromatic
C10	C13	doub	1.40Å	1.45Å	Aromatic
C10	N2	sing	1.33Å	1.37Å	Aromatic
C13	C12	sing	1.41Å	1.43Å	Aromatic
N2	C11	doub	1.32Å	1.34Å	Aromatic
C15	N4	sing	1.37Å	1.39Å	Aromatic
C12	N4	sing	1.37Å	1.38Å	Aromatic
C12	N3	doub	1.33Å	1.37Å	Aromatic
C11	N3	sing	1.32Å	1.33Å	Aromatic
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C9	H17	sing	1.09Å	1.10Å
C9	H16	sing	1.09Å	1.10Å
C14	H20	sing	1.08Å	1.08Å
C1	H4	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C11	H19	sing	1.08Å	1.08Å
C15	H21	sing	1.08Å	1.08Å
C2	H1	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C7	H12	sing	1.09Å	1.10Å
C7	H13	sing	1.09Å	1.10Å
C8	H14	sing	1.09Å	1.10Å
C8	H15	sing	1.09Å	1.10Å
N1	H18	sing	0.97Å	1.00Å
N4	H22	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)
C8	C9	C4	113.0°	109.5°
C9	C8	C7	112.6°	109.5°
C8	C9	H17	108.6°	109.5°
C8	C9	H16	108.6°	109.5°
C9	C8	H14	108.7°	109.5°
C9	C8	H15	108.7°	109.5°
C9	C4	C3	113.1°	109.5°
C9	C4	C5	105.4°	109.4°
C4	C9	H17	108.6°	109.4°
C4	C9	H16	108.6°	109.5°
C9	C4	H7	109.1°	109.5°
C8	C7	C6	109.3°	109.5°
C8	C7	H12	109.5°	109.5°
C8	C7	H13	109.5°	109.5°
C7	C8	H14	108.7°	109.4°
C7	C8	H15	108.7°	109.4°
C4	C3	C2	118.7°	109.4°
C3	C4	C5	110.9°	109.4°
C4	C3	H5	107.1°	109.4°
C4	C3	H6	107.1°	109.5°
C3	C4	H7	109.0°	109.5°
C3	C2	C1	103.5°	109.4°
C3	C2	N1	113.5°	109.4°
C2	C3	H5	107.1°	109.4°
C2	C3	H6	107.1°	109.5°
C3	C2	H1	110.2°	109.5°
C7	C6	C5	110.6°	109.5°
C7	C6	H10	109.2°	109.5°
C7	C6	H11	109.2°	109.4°
C6	C7	H12	109.5°	109.4°
C6	C7	H13	109.5°	109.5°
C4	C5	C6	111.5°	109.5°
C5	C4	H7	109.3°	109.4°
C4	C5	H8	109.0°	109.4°
C4	C5	H9	108.9°	109.5°
O1	C1	C2	105.9°	109.5°
O1	C1	H4	110.4°	109.5°
O1	C1	H3	110.4°	109.5°
C1	O1	H2	109.5°	114.0°
C1	C2	N1	106.8°	109.5°
C2	C1	H4	110.4°	109.5°
C2	C1	H3	110.4°	109.4°
C1	C2	H1	110.5°	109.5°
C5	C6	H10	109.2°	109.5°
C5	C6	H11	109.2°	109.5°
C6	C5	H8	108.9°	109.5°
C6	C5	H9	109.0°	109.5°
C2	N1	C10	131.5°	120.0°
N1	C2	H1	111.8°	109.5°
C2	N1	H18	103.7°	120.0°
N1	C10	C13	130.0°	120.9°
N1	C10	N2	110.5°	120.8°
C10	N1	H18	103.8°	119.9°
C13	C14	C15	108.6°	106.8°
C14	C13	C10	142.1°	135.1°
C14	C13	C12	103.9°	106.2°
C13	C14	H20	125.7°	126.6°
C14	C15	N4	109.4°	109.8°
C15	C14	H20	125.7°	126.6°
C14	C15	H21	125.3°	125.1°
C13	C10	N2	119.5°	118.3°
C10	C13	C12	114.1°	118.7°
C10	N2	C11	119.0°	121.0°
C13	C12	N4	111.0°	107.1°
C13	C12	N3	125.5°	118.6°
N2	C11	N3	127.7°	122.7°
N2	C11	H19	116.1°	118.7°
C15	N4	C12	107.1°	110.0°
N4	C15	H21	125.3°	125.0°
C15	N4	H22	126.4°	125.0°
N4	C12	N3	123.5°	134.3°
C12	N4	H22	126.4°	125.0°
C12	N3	C11	114.2°	120.7°
N3	C11	H19	116.1°	118.6°
H5	C3	H6	109.5°	109.5°
H10	C6	H11	109.5°	109.5°
H17	C9	H16	109.5°	109.5°
H4	C1	H3	109.4°	109.4°
H8	C5	H9	109.5°	109.5°
H12	C7	H13	109.4°	109.5°
H14	C8	H15	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	C9	C4	H17	120.5°	120.0°
C8	C9	C4	H16	120.5°	120.0°
C9	C8	C7	H14	120.5°	120.0°
C9	C8	C7	H15	120.4°	120.0°
C8	C9	C4	C3	176.7°	180.0°
C9	C8	C7	C6	51.6°	60.0°
C8	C9	C4	C5	55.3°	60.0°
C8	C9	H17	H16	118.4°	120.0°
C8	C9	C4	H7	61.9°	60.0°
C9	C8	C7	H12	171.6°	60.0°
C9	C8	C7	H13	68.3°	180.0°
C9	C8	H14	H15	118.5°	120.1°
C4	C9	C8	C7	53.3°	60.0°
C9	C4	C3	C5	118.2°	120.0°
C9	C4	C3	H7	121.5°	120.1°
C9	C4	C3	C2	168.6°	65.8°
C9	C4	C5	H7	117.1°	120.0°
C9	C4	C5	C6	61.5°	60.0°
C9	C4	C3	H5	70.1°	54.1°
C9	C4	C3	H6	47.3°	174.2°
C4	C9	H17	H16	118.4°	120.0°
C9	C4	C5	H8	58.8°	180.0°
C9	C4	C5	H9	178.2°	60.0°
C4	C9	C8	H14	67.2°	59.9°
C4	C9	C8	H15	173.7°	180.0°
C8	C7	C6	H12	120.0°	120.0°
C8	C7	C6	H13	120.0°	120.0°
C8	C7	C6	C5	57.3°	60.0°
C8	C7	C6	H10	62.9°	180.0°
C8	C7	C6	H11	177.5°	60.0°
C7	C8	C9	H17	67.2°	180.0°
C7	C8	C9	H16	173.8°	60.0°
C8	C7	H12	H13	120.1°	120.0°
C7	C8	H14	H15	118.6°	119.9°
C4	C3	C2	H5	121.3°	119.9°
C4	C3	C2	H6	121.3°	120.0°
C3	C4	C5	H7	120.2°	120.0°
C4	C3	C2	C1	163.5°	174.7°
C3	C4	C5	C6	175.8°	180.0°
C4	C3	C2	N1	48.1°	65.3°
C4	C3	H5	H6	115.8°	120.1°
C3	C4	C9	H17	56.2°	60.0°
C3	C4	C9	H16	62.8°	60.0°
C4	C3	C2	H1	78.2°	54.7°
C3	C4	C5	H8	63.9°	60.0°
C3	C4	C5	H9	55.5°	60.0°
C2	C3	C4	C5	73.2°	174.2°
C3	C2	C1	O1	57.2°	55.0°
C3	C2	C1	N1	120.1°	119.9°
C3	C2	C1	H1	118.0°	120.0°
C3	C2	N1	H1	125.5°	120.0°
C3	C2	N1	C10	143.2°	155.1°
C2	C3	H5	H6	115.8°	120.0°
C3	C2	C1	H4	176.6°	65.1°
C3	C2	C1	H3	62.3°	175.0°
C2	C3	C4	H7	47.1°	54.3°
C3	C2	N1	H18	20.4°	25.0°
C7	C6	C5	C4	65.0°	60.0°
C7	C6	C5	H10	120.2°	120.0°
C7	C6	C5	H11	120.2°	120.0°
C7	C6	H10	H11	119.5°	120.0°
C7	C6	C5	H8	55.4°	180.0°
C7	C6	C5	H9	174.7°	60.0°
C6	C7	H12	H13	120.1°	120.0°
C6	C7	C8	H14	68.8°	60.0°
C6	C7	C8	H15	172.1°	180.0°
C4	C5	C6	H8	120.3°	120.0°
C4	C5	C6	H9	120.3°	120.0°
C5	C4	C3	H5	48.1°	65.9°
C5	C4	C3	H6	165.4°	54.2°
C4	C5	C6	H10	55.2°	180.0°
C4	C5	C6	H11	174.9°	60.0°
C5	C4	C9	H17	65.2°	180.0°
C5	C4	C9	H16	175.9°	60.0°
C4	C5	H8	H9	119.0°	120.0°
O1	C1	C2	H4	119.4°	120.1°
O1	C1	C2	H3	119.5°	120.0°
O1	C1	C2	N1	62.9°	64.9°
O1	C1	H4	H3	121.7°	120.0°
O1	C1	C2	H1	175.2°	175.0°
C1	C2	N1	H1	121.1°	120.1°
C1	C2	N1	C10	103.3°	85.0°
C1	C2	C3	H5	42.2°	54.8°
C1	C2	C3	H6	75.2°	65.2°
C2	C1	H4	H3	121.7°	119.9°
C1	C2	N1	H18	133.9°	94.9°
C2	C1	O1	H2	180.0°	180.0°
C5	C6	H10	H11	119.5°	120.0°
C6	C5	C4	H7	55.6°	60.0°
C6	C5	H8	H9	119.0°	120.0°
C5	C6	C7	H12	177.3°	60.0°
C5	C6	C7	H13	62.7°	180.0°
C2	N1	C10	H18	122.8°	179.9°
C2	N1	C10	C13	29.7°	180.0°
C2	N1	C10	N2	151.6°	0.1°
N1	C2	C3	H5	73.2°	174.8°
N1	C2	C3	H6	169.4°	54.8°
N1	C2	C1	H4	56.5°	175.0°
N1	C2	C1	H3	177.6°	55.0°
N1	C10	C13	C14	2.1°	0.1°
N1	C10	C13	N2	178.6°	179.9°
N1	C10	C13	C12	179.5°	179.9°
N1	C10	N2	C11	179.8°	179.9°
C10	N1	C2	H1	17.7°	35.1°
C13	C14	C15	H20	180.0°	180.0°
C14	C13	C10	C12	178.3°	180.0°
C14	C13	C10	N2	179.3°	180.0°
C13	C14	C15	N4	0.8°	0.1°
C14	C13	C12	N4	0.3°	0.0°
C14	C13	C12	N3	179.8°	180.0°
C13	C14	C15	H21	179.2°	180.0°
C15	C14	C13	C10	179.1°	180.0°
C15	C14	C13	C12	0.7°	0.0°
C14	C15	N4	H21	180.0°	179.9°
C14	C15	N4	C12	0.6°	0.1°
C14	C15	N4	H22	179.5°	179.9°
C13	C10	N2	C11	0.9°	0.0°
C10	C13	C12	N4	179.3°	179.9°
C10	C13	C12	N3	0.8°	0.0°
C10	C13	C14	H20	0.9°	0.0°
C13	C10	N1	H18	93.1°	0.1°
N2	C10	C13	C12	1.0°	0.0°
C10	N2	C11	N3	0.7°	0.0°
C10	N2	C11	H19	179.3°	179.9°
N2	C10	N1	H18	85.6°	180.0°
C13	C12	N4	C15	0.1°	0.1°
C13	C12	N4	N3	179.9°	179.9°
C13	C12	N3	C11	0.6°	0.0°
C12	C13	C14	H20	179.3°	180.0°
C13	C12	N4	H22	179.9°	179.9°
N2	C11	N3	C12	0.5°	0.0°
N2	C11	N3	H19	180.0°	179.9°
C15	N4	C12	H22	180.0°	179.8°
C15	N4	C12	N3	179.8°	180.0°
N4	C15	C14	H20	179.2°	179.9°
N4	C12	N3	C11	179.5°	179.9°
C12	N4	C15	H21	179.4°	180.0°
C12	N3	C11	H19	179.5°	180.0°
N3	C12	N4	H22	0.2°	0.1°
H5	C3	C2	H1	160.5°	65.2°
H5	C3	C4	H7	168.4°	174.2°
H6	C3	C2	H1	43.1°	174.8°
H6	C3	C4	H7	74.2°	65.8°
H10	C6	C5	H8	175.5°	60.0°
H10	C6	C5	H9	65.1°	60.0°
H10	C6	C7	H12	57.1°	60.0°
H10	C6	C7	H13	177.1°	59.9°
H11	C6	C5	H8	64.8°	60.0°
H11	C6	C5	H9	54.5°	180.0°
H11	C6	C7	H12	62.5°	180.0°
H11	C6	C7	H13	57.5°	60.0°
H17	C9	C4	H7	177.6°	60.1°
H17	C9	C8	H14	172.3°	60.0°
H17	C9	C8	H15	53.2°	60.0°
H16	C9	C4	H7	58.7°	180.0°
H16	C9	C8	H14	53.3°	179.9°
H16	C9	C8	H15	65.7°	60.0°
H20	C14	C15	H21	0.8°	0.0°
H4	C1	C2	H1	65.4°	54.9°
H4	C1	O1	H2	60.5°	59.9°
H3	C1	C2	H1	55.8°	65.0°
H3	C1	O1	H2	60.6°	60.1°
H21	C15	N4	H22	0.6°	0.1°
H1	C2	N1	H18	105.1°	145.0°
H7	C4	C5	H8	175.9°	60.0°
H7	C4	C5	H9	64.7°	180.0°
H12	C7	C8	H14	51.2°	180.0°
H12	C7	C8	H15	67.9°	60.0°
H13	C7	C8	H14	171.2°	60.0°
H13	C7	C8	H15	52.1°	60.0°

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