A1A58

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F1	C4	sing	1.40Å	1.38Å
C4	C3	sing	1.55Å	1.53Å
C4	C5	sing	1.55Å	1.54Å
C3	C2	sing	1.54Å	1.48Å
C5	N1	sing	1.48Å	1.48Å
C2	N1	sing	1.47Å	1.47Å
C2	C1	sing	1.53Å	1.60Å
N1	C6	sing	1.38Å	1.37Å
C1	O1	sing	1.43Å	1.40Å
C10	C9	sing	1.46Å	1.47Å	Aromatic
C10	C11	doub	1.34Å	1.40Å	Aromatic
C6	C9	doub	1.40Å	1.44Å	Aromatic
C6	N2	sing	1.33Å	1.35Å	Aromatic
C9	C8	sing	1.41Å	1.44Å	Aromatic
C11	N4	sing	1.37Å	1.35Å	Aromatic
N2	C7	doub	1.32Å	1.38Å	Aromatic
C8	N4	sing	1.37Å	1.35Å	Aromatic
C8	N3	doub	1.33Å	1.34Å	Aromatic
C7	N3	sing	1.32Å	1.34Å	Aromatic
C3	H7	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C10	H11	sing	1.08Å	1.08Å
C11	H12	sing	1.08Å	1.08Å
C2	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C7	H10	sing	1.08Å	1.08Å
N4	H13	sing	0.97Å	1.00Å
O1	H3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F1	C4	C3	108.5°	111.0°
F1	C4	C5	109.7°	110.9°
F1	C4	H2	112.4°	110.9°
C3	C4	C5	106.0°	101.7°
C4	C3	C2	107.4°	103.0°
C4	C3	H7	110.0°	110.8°
C4	C3	H6	110.0°	110.8°
C3	C4	H2	110.1°	111.0°
C4	C5	N1	104.6°	104.8°
C5	C4	H2	109.9°	111.0°
C4	C5	H9	110.7°	110.4°
C4	C5	H8	110.7°	110.4°
C3	C2	N1	105.6°	107.2°
C3	C2	C1	106.8°	109.9°
C2	C3	H7	110.0°	110.7°
C2	C3	H6	110.0°	110.7°
C3	C2	H1	110.7°	109.9°
C5	N1	C2	111.8°	108.6°
C5	N1	C6	124.8°	111.0°
N1	C5	H9	110.7°	110.3°
N1	C5	H8	110.7°	110.4°
N1	C2	C1	113.7°	109.9°
C2	N1	C6	122.3°	111.0°
N1	C2	H1	110.8°	109.9°
C2	C1	O1	109.5°	109.5°
C2	C1	H5	109.4°	109.5°
C2	C1	H4	109.5°	109.5°
C1	C2	H1	109.1°	110.0°
N1	C6	C9	123.8°	120.8°
N1	C6	N2	116.2°	120.9°
O1	C1	H5	109.4°	109.4°
O1	C1	H4	109.5°	109.5°
C1	O1	H3	109.5°	114.0°
C9	C10	C11	107.3°	106.8°
C10	C9	C6	142.3°	135.1°
C10	C9	C8	104.8°	106.2°
C9	C10	H11	126.3°	126.6°
C10	C11	N4	107.4°	109.8°
C11	C10	H11	126.3°	126.5°
C10	C11	H12	126.3°	125.1°
C9	C6	N2	119.9°	118.3°
C6	C9	C8	112.9°	118.7°
C6	N2	C7	120.7°	121.0°
C9	C8	N4	107.3°	107.2°
C9	C8	N3	127.2°	118.5°
C11	N4	C8	113.1°	110.0°
N4	C11	H12	126.3°	125.1°
C11	N4	H13	123.5°	125.0°
N2	C7	N3	124.4°	122.7°
N2	C7	H10	117.8°	118.6°
N4	C8	N3	125.5°	134.3°
C8	N4	H13	123.4°	125.0°
C8	N3	C7	114.9°	120.7°
N3	C7	H10	117.8°	118.6°
H7	C3	H6	109.5°	110.6°
H5	C1	H4	109.5°	109.5°
H9	C5	H8	109.5°	110.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F1	C4	C3	C5	117.7°	118.0°
F1	C4	C3	H2	123.4°	123.9°
F1	C4	C5	H2	124.0°	123.8°
F1	C4	C3	C2	98.1°	153.7°
F1	C4	C5	N1	106.9°	155.2°
F1	C4	C3	H7	142.3°	35.3°
F1	C4	C3	H6	21.6°	87.9°
F1	C4	C5	H9	12.3°	36.4°
F1	C4	C5	H8	133.8°	86.0°
C3	C4	C5	H2	119.0°	118.2°
C4	C3	C2	H7	119.7°	118.4°
C4	C3	C2	H6	119.7°	118.5°
C3	C4	C5	N1	10.0°	37.1°
C4	C3	C2	N1	21.3°	22.3°
C4	C3	C2	C1	100.0°	141.7°
C4	C3	H7	H6	120.9°	123.3°
C4	C3	C2	H1	141.4°	97.1°
C3	C4	C5	H9	129.3°	81.7°
C3	C4	C5	H8	109.2°	155.9°
C5	C4	C3	C2	19.7°	35.7°
C4	C5	N1	H9	119.2°	118.9°
C4	C5	N1	H8	119.2°	118.8°
C4	C5	N1	C2	3.1°	24.1°
C4	C5	N1	C6	171.5°	146.4°
C5	C4	C3	H7	100.0°	82.7°
C5	C4	C3	H6	139.4°	154.1°
C4	C5	H9	H8	122.2°	122.4°
C3	C2	N1	C5	15.4°	1.0°
C3	C2	N1	C1	116.7°	119.4°
C3	C2	N1	H1	120.0°	119.4°
C3	C2	C1	H1	119.7°	121.1°
C3	C2	N1	C6	175.9°	123.2°
C3	C2	C1	O1	73.1°	53.9°
C2	C3	H7	H6	121.0°	123.1°
C3	C2	C1	H5	46.9°	173.9°
C3	C2	C1	H4	166.9°	66.1°
C2	C3	C4	H2	138.5°	82.4°
C5	N1	C2	C6	168.7°	122.3°
C5	N1	C2	C1	101.3°	118.4°
C5	N1	C6	C9	1.4°	157.0°
C5	N1	C6	N2	179.8°	23.0°
C5	N1	C2	H1	135.4°	120.4°
N1	C5	C4	H2	129.0°	81.1°
N1	C5	H9	H8	122.2°	122.3°
N1	C2	C1	H1	124.3°	121.1°
N1	C2	C1	O1	170.9°	63.9°
C2	N1	C6	C9	165.8°	82.1°
C2	N1	C6	N2	13.0°	97.8°
N1	C2	C3	H7	98.3°	96.1°
N1	C2	C3	H6	141.0°	140.8°
N1	C2	C1	H5	69.1°	56.1°
N1	C2	C1	H4	50.9°	176.1°
C2	N1	C5	H9	116.1°	94.8°
C2	N1	C5	H8	122.4°	142.9°
C1	C2	N1	C6	67.4°	3.8°
C2	C1	O1	H5	120.0°	120.0°
C2	C1	O1	H4	120.0°	120.0°
C1	C2	C3	H7	140.4°	23.3°
C1	C2	C3	H6	19.7°	99.8°
C2	C1	H5	H4	120.0°	120.0°
C2	C1	O1	H3	180.0°	180.0°
N1	C6	C9	C10	1.5°	0.1°
N1	C6	C9	N2	178.7°	180.0°
N1	C6	C9	C8	178.5°	180.0°
N1	C6	N2	C7	178.9°	180.0°
C6	N1	C2	H1	56.0°	117.4°
C6	N1	C5	H9	52.2°	27.5°
C6	N1	C5	H8	69.3°	94.8°
O1	C1	H5	H4	120.0°	120.0°
O1	C1	C2	H1	46.6°	175.0°
C9	C10	C11	H11	180.0°	179.9°
C10	C9	C6	C8	180.0°	179.9°
C10	C9	C6	N2	179.8°	180.0°
C9	C10	C11	N4	0.8°	0.1°
C10	C9	C8	N4	0.3°	0.0°
C10	C9	C8	N3	178.7°	180.0°
C9	C10	C11	H12	179.1°	179.9°
C11	C10	C9	C6	179.6°	180.0°
C11	C10	C9	C8	0.3°	0.0°
C10	C11	N4	H12	180.0°	179.9°
C10	C11	N4	C8	1.1°	0.1°
C10	C11	N4	H13	178.9°	180.0°
C9	C6	N2	C7	0.0°	0.0°
C6	C9	C8	N4	179.7°	179.9°
C6	C9	C8	N3	1.3°	0.1°
C6	C9	C10	H11	0.4°	0.1°
N2	C6	C9	C8	0.2°	0.0°
C6	N2	C7	N3	0.7°	0.1°
C6	N2	C7	H10	179.3°	180.0°
C9	C8	N4	C11	0.9°	0.0°
C9	C8	N4	N3	179.0°	180.0°
C9	C8	N3	C7	1.9°	0.1°
C8	C9	C10	H11	179.7°	180.0°
C9	C8	N4	H13	179.1°	180.0°
C11	N4	C8	H13	180.0°	179.9°
C11	N4	C8	N3	178.2°	179.9°
N4	C11	C10	H11	179.2°	180.0°
N2	C7	N3	C8	1.5°	0.1°
N2	C7	N3	H10	180.0°	179.9°
N4	C8	N3	C7	179.3°	179.9°
C8	N4	C11	H12	178.9°	179.9°
C8	N3	C7	H10	178.5°	180.0°
N3	C8	N4	H13	1.8°	0.0°
H7	C3	C2	H1	21.7°	144.5°
H7	C3	C4	H2	18.9°	159.2°
H6	C3	C2	H1	98.9°	21.4°
H6	C3	C4	H2	101.8°	36.0°
H5	C1	C2	H1	166.6°	65.0°
H5	C1	O1	H3	60.0°	60.0°
H4	C1	C2	H1	73.4°	55.0°
H4	C1	O1	H3	60.0°	60.0°
H11	C10	C11	H12	0.9°	0.1°
H12	C11	N4	H13	1.1°	0.1°
H2	C4	C5	H9	111.7°	160.2°
H2	C4	C5	H8	9.8°	37.8°

Release date:	2025-06-11
Definition date:	2024-09-10
Last modified:	2025-06-06
Release status:	REL
Processing site:	RCSB
Derived from:	7HCS