A1A9J

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C3	sing	1.53Å	1.58Å
C4	C5	sing	1.53Å	1.55Å
C4	C6	sing	1.53Å	1.54Å
O1	C1	sing	1.43Å	1.41Å
C3	C2	sing	1.53Å	1.61Å
C5	C6	sing	1.53Å	1.52Å
C1	C2	sing	1.53Å	1.62Å
C2	N1	sing	1.47Å	1.50Å
N1	C7	sing	1.38Å	1.42Å
C7	C10	doub	1.40Å	1.46Å	Aromatic
C7	N2	sing	1.33Å	1.39Å	Aromatic
C11	C10	sing	1.46Å	1.47Å	Aromatic
C11	C12	doub	1.34Å	1.40Å	Aromatic
C10	C9	sing	1.41Å	1.45Å	Aromatic
N2	C8	doub	1.32Å	1.38Å	Aromatic
C12	N4	sing	1.37Å	1.35Å	Aromatic
C8	N3	sing	1.32Å	1.33Å	Aromatic
C9	N4	sing	1.37Å	1.35Å	Aromatic
C9	N3	doub	1.33Å	1.37Å	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
C12	H15	sing	1.08Å	1.08Å
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C11	H14	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
C8	H13	sing	1.08Å	1.08Å
N1	H12	sing	0.97Å	1.00Å
N4	H16	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)
C3	C4	C5	120.4°	117.5°
C3	C4	C6	120.2°	117.5°
C4	C3	C2	122.4°	109.5°
C4	C3	H5	106.1°	109.5°
C4	C3	H6	106.2°	109.5°
C3	C4	H7	115.0°	115.6°
C5	C4	C6	58.7°	60.0°
C4	C5	C6	60.5°	60.0°
C5	C4	H7	115.5°	117.5°
C4	C5	H8	119.9°	117.4°
C4	C5	H9	119.9°	117.5°
C4	C6	C5	60.8°	60.0°
C4	C6	H10	119.8°	117.5°
C4	C6	H11	119.9°	117.6°
C6	C4	H7	115.6°	117.5°
O1	C1	C2	109.0°	109.4°
O1	C1	H3	109.6°	109.5°
O1	C1	H4	109.6°	109.5°
C1	O1	H2	109.5°	114.0°
C3	C2	C1	106.6°	109.5°
C3	C2	N1	115.6°	109.5°
C2	C3	H5	106.2°	109.4°
C2	C3	H6	106.2°	109.5°
C3	C2	H1	107.7°	109.4°
C5	C6	H10	119.9°	117.5°
C5	C6	H11	119.9°	117.5°
C6	C5	H8	119.9°	117.5°
C6	C5	H9	119.9°	117.5°
C1	C2	N1	109.8°	109.5°
C2	C1	H3	109.6°	109.5°
C2	C1	H4	109.6°	109.5°
C1	C2	H1	107.7°	109.5°
C2	N1	C7	122.1°	120.0°
N1	C2	H1	109.1°	109.5°
C2	N1	H12	106.2°	119.9°
N1	C7	C10	124.8°	120.8°
N1	C7	N2	117.8°	120.8°
C7	N1	H12	106.2°	120.0°
C10	C7	N2	117.4°	118.3°
C7	C10	C11	140.4°	135.1°
C7	C10	C9	114.6°	118.6°
C7	N2	C8	121.3°	121.0°
C10	C11	C12	107.7°	106.8°
C11	C10	C9	104.9°	106.2°
C10	C11	H14	126.2°	126.6°
C11	C12	N4	106.8°	109.8°
C11	C12	H15	126.6°	125.1°
C12	C11	H14	126.1°	126.6°
C10	C9	N4	105.9°	107.1°
C10	C9	N3	126.9°	118.6°
N2	C8	N3	126.1°	122.7°
N2	C8	H13	117.0°	118.6°
C12	N4	C9	114.7°	110.0°
N4	C12	H15	126.6°	125.1°
C12	N4	H16	122.7°	125.0°
C8	N3	C9	113.7°	120.7°
N3	C8	H13	116.9°	118.7°
N4	C9	N3	127.3°	134.3°
C9	N4	H16	122.6°	125.0°
H5	C3	H6	109.5°	109.5°
H10	C6	H11	109.5°	115.5°
H3	C1	H4	109.4°	109.5°
H8	C5	H9	109.4°	115.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C4	C5	C6	109.0°	107.5°
C3	C4	C5	H7	145.4°	145.1°
C3	C4	C6	H7	145.2°	145.0°
C4	C3	C2	H5	121.8°	120.0°
C4	C3	C2	H6	121.8°	120.0°
C4	C3	C2	C1	174.2°	175.0°
C4	C3	C2	N1	51.8°	65.0°
C4	C3	H5	H6	114.2°	120.0°
C3	C4	C6	H10	141.0°	145.0°
C3	C4	C6	H11	0.4°	0.0°
C4	C3	C2	H1	70.5°	55.0°
C3	C4	C5	H8	0.6°	145.0°
C3	C4	C5	H9	141.4°	0.1°
C5	C4	C6	H7	105.5°	107.5°
C5	C4	C3	C2	60.2°	175.0°
C4	C5	C6	H8	109.6°	107.4°
C4	C5	C6	H9	109.6°	107.5°
C5	C4	C3	H5	178.0°	65.0°
C5	C4	C3	H6	61.6°	55.0°
C5	C4	C6	H10	109.7°	107.5°
C5	C4	C6	H11	109.7°	107.5°
C4	C5	H8	H9	144.4°	145.7°
C6	C4	C3	C2	8.9°	116.4°
C6	C4	C3	H5	112.8°	3.6°
C6	C4	C3	H6	130.7°	123.6°
C4	C6	H10	H11	144.3°	145.7°
O1	C1	C2	C3	30.4°	55.0°
O1	C1	C2	H3	120.0°	120.0°
O1	C1	C2	H4	119.9°	120.0°
O1	C1	C2	N1	156.4°	65.1°
O1	C1	H3	H4	120.2°	120.0°
O1	C1	C2	H1	85.0°	175.0°
C3	C2	C1	N1	126.0°	120.1°
C3	C2	C1	H1	115.4°	120.0°
C3	C2	N1	H1	121.5°	120.0°
C3	C2	N1	C7	143.7°	155.0°
C2	C3	H5	H6	114.2°	120.0°
C3	C2	C1	H3	150.3°	175.0°
C3	C2	C1	H4	89.5°	65.0°
C2	C3	C4	H7	154.3°	29.3°
C3	C2	N1	H12	94.6°	25.0°
C5	C6	H10	H11	144.3°	145.6°
C6	C5	H8	H9	144.5°	145.7°
C1	C2	N1	H1	117.8°	120.0°
C1	C2	N1	C7	95.6°	85.0°
C1	C2	C3	H5	64.1°	65.0°
C1	C2	C3	H6	52.4°	54.9°
C2	C1	H3	H4	120.2°	120.0°
C1	C2	N1	H12	26.1°	95.1°
C2	C1	O1	H2	180.0°	180.0°
C2	N1	C7	H12	121.7°	180.0°
C2	N1	C7	C10	171.0°	180.0°
C2	N1	C7	N2	8.7°	0.0°
N1	C2	C3	H5	173.5°	55.0°
N1	C2	C3	H6	70.0°	175.0°
N1	C2	C1	H3	83.7°	54.9°
N1	C2	C1	H4	36.4°	175.0°
N1	C7	C10	N2	179.7°	180.0°
N1	C7	C10	C11	0.8°	0.0°
N1	C7	C10	C9	179.8°	180.0°
N1	C7	N2	C8	179.8°	180.0°
C7	N1	C2	H1	22.2°	35.0°
C7	C10	C11	C9	179.4°	180.0°
C7	C10	C11	C12	179.7°	180.0°
C10	C7	N2	C8	0.0°	0.0°
C7	C10	C9	N4	179.6°	180.0°
C7	C10	C9	N3	0.3°	0.0°
C7	C10	C11	H14	0.3°	0.1°
C10	C7	N1	H12	67.2°	0.0°
N2	C7	C10	C11	179.4°	180.0°
N2	C7	C10	C9	0.1°	0.0°
C7	N2	C8	N3	0.1°	0.0°
C7	N2	C8	H13	179.9°	180.0°
N2	C7	N1	H12	113.0°	180.0°
C10	C11	C12	H14	180.0°	179.9°
C10	C11	C12	N4	0.5°	0.0°
C11	C10	C9	N4	0.0°	0.0°
C11	C10	C9	N3	179.9°	180.0°
C10	C11	C12	H15	179.5°	180.0°
C12	C11	C10	C9	0.3°	0.0°
C11	C12	N4	H15	180.0°	180.0°
C11	C12	N4	C9	0.5°	0.0°
C11	C12	N4	H16	179.5°	180.0°
C10	C9	N4	C12	0.3°	0.0°
C10	C9	N3	C8	0.4°	0.0°
C10	C9	N4	N3	179.9°	180.0°
C9	C10	C11	H14	179.7°	179.9°
C10	C9	N4	H16	179.7°	180.0°
N2	C8	N3	H13	180.0°	180.0°
N2	C8	N3	C9	0.3°	0.0°
C12	N4	C9	H16	180.0°	180.0°
C12	N4	C9	N3	179.8°	180.0°
N4	C12	C11	H14	179.5°	179.9°
C8	N3	C9	N4	179.5°	180.0°
C9	N4	C12	H15	179.5°	180.0°
C9	N3	C8	H13	179.7°	180.0°
N3	C9	N4	H16	0.2°	0.0°
H5	C3	C2	H1	51.3°	175.0°
H5	C3	C4	H7	32.5°	149.3°
H6	C3	C2	H1	167.7°	65.0°
H6	C3	C4	H7	84.0°	90.7°
H10	C6	C4	H7	4.2°	0.0°
H10	C6	C5	H8	140.7°	0.1°
H10	C6	C5	H9	0.1°	145.0°
H11	C6	C4	H7	144.8°	145.0°
H11	C6	C5	H8	0.1°	145.0°
H11	C6	C5	H9	140.7°	0.1°
H15	C12	C11	H14	0.5°	0.1°
H15	C12	N4	H16	0.5°	0.0°
H3	C1	C2	H1	34.9°	65.0°
H3	C1	O1	H2	60.1°	60.0°
H4	C1	C2	H1	155.1°	55.0°
H4	C1	O1	H2	60.1°	60.1°
H1	C2	N1	H12	143.9°	145.0°
H7	C4	C5	H8	144.8°	0.0°
H7	C4	C5	H9	4.0°	145.0°

Release date:	2025-06-11
Definition date:	2024-09-23
Last modified:	2025-06-06
Release status:	REL
Processing site:	RCSB
Derived from:	7HE7