A1A8H

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5	C6	sing	1.54Å	1.55Å
C5	C4	sing	1.53Å	1.59Å
C6	C7	sing	1.54Å	1.54Å
C3	C4	sing	1.53Å	1.54Å
C3	C2	sing	1.55Å	1.57Å
C4	C7	sing	1.53Å	1.58Å
C4	C8	sing	1.53Å	1.57Å
O1	C1	sing	1.43Å	1.41Å
C1	C2	sing	1.53Å	1.58Å
C8	N1	sing	1.49Å	1.50Å
C2	N1	sing	1.49Å	1.50Å
N1	C9	sing	1.38Å	1.45Å
C9	N2	doub	1.33Å	1.38Å	Aromatic
C9	C12	sing	1.40Å	1.45Å	Aromatic
C13	C12	sing	1.46Å	1.47Å	Aromatic
C13	C14	doub	1.34Å	1.40Å	Aromatic
N2	C10	sing	1.32Å	1.39Å	Aromatic
C12	C11	doub	1.41Å	1.44Å	Aromatic
C14	N4	sing	1.37Å	1.35Å	Aromatic
C10	N3	doub	1.31Å	1.34Å	Aromatic
C11	N4	sing	1.37Å	1.37Å	Aromatic
C11	N3	sing	1.33Å	1.35Å	Aromatic
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C14	H17	sing	1.08Å	1.08Å
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C10	H15	sing	1.08Å	1.08Å
C13	H16	sing	1.08Å	1.08Å
C2	H1	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C7	H12	sing	1.09Å	1.10Å
C7	H11	sing	1.09Å	1.10Å
C8	H14	sing	1.09Å	1.10Å
C8	H13	sing	1.09Å	1.10Å
N4	H18	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)
C6	C5	C4	91.3°	86.8°
C5	C6	C7	86.8°	87.2°
C5	C6	H9	114.8°	113.5°
C5	C6	H10	114.8°	113.7°
C6	C5	H8	113.8°	113.6°
C6	C5	H7	113.8°	113.7°
C5	C4	C3	119.7°	115.6°
C5	C4	C7	84.2°	88.1°
C5	C4	C8	127.0°	115.5°
C4	C5	H8	113.8°	113.6°
C4	C5	H7	113.8°	113.7°
C6	C7	C4	92.0°	86.8°
C7	C6	H9	114.8°	113.6°
C7	C6	H10	114.8°	113.6°
C6	C7	H12	113.6°	113.6°
C6	C7	H11	113.6°	113.7°
C4	C3	C2	107.4°	104.6°
C3	C4	C7	111.9°	115.6°
C3	C4	C8	100.9°	106.1°
C4	C3	H5	110.0°	110.4°
C4	C3	H6	110.0°	110.5°
C3	C2	C1	109.5°	110.4°
C3	C2	N1	107.2°	104.7°
C2	C3	H5	110.0°	110.4°
C2	C3	H6	110.0°	110.4°
C3	C2	H1	109.9°	110.4°
C7	C4	C8	112.1°	115.6°
C4	C7	H12	113.7°	113.6°
C4	C7	H11	113.6°	113.7°
C4	C8	N1	109.8°	104.3°
C4	C8	H14	109.4°	110.5°
C4	C8	H13	109.4°	110.5°
O1	C1	C2	108.7°	109.5°
O1	C1	H3	109.7°	109.5°
O1	C1	H4	109.7°	109.5°
C1	O1	H2	109.5°	114.0°
C1	C2	N1	109.7°	110.4°
C2	C1	H3	109.6°	109.5°
C2	C1	H4	109.7°	109.5°
C1	C2	H1	109.8°	110.4°
C8	N1	C2	107.0°	104.4°
C8	N1	C9	123.5°	111.0°
N1	C8	H14	109.4°	110.4°
N1	C8	H13	109.4°	110.4°
C2	N1	C9	124.6°	111.0°
N1	C2	H1	110.9°	110.5°
N1	C9	N2	119.7°	120.8°
N1	C9	C12	122.4°	120.9°
N2	C9	C12	117.9°	118.3°
C9	N2	C10	120.4°	121.1°
C9	C12	C13	140.5°	135.1°
C9	C12	C11	115.0°	118.7°
C12	C13	C14	107.9°	106.8°
C13	C12	C11	104.5°	106.2°
C12	C13	H16	126.1°	126.6°
C13	C14	N4	107.5°	109.8°
C13	C14	H17	126.2°	125.0°
C14	C13	H16	126.0°	126.6°
N2	C10	N3	126.1°	122.7°
N2	C10	H15	116.9°	118.6°
C12	C11	N4	107.4°	107.2°
C12	C11	N3	127.0°	118.5°
C14	N4	C11	112.7°	110.0°
N4	C14	H17	126.3°	125.2°
C14	N4	H18	123.6°	124.9°
C10	N3	C11	113.6°	120.7°
N3	C10	H15	116.9°	118.6°
N4	C11	N3	125.7°	134.3°
C11	N4	H18	123.7°	125.1°
H5	C3	H6	109.5°	110.5°
H9	C6	H10	109.5°	112.9°
H3	C1	H4	109.5°	109.4°
H8	C5	H7	109.4°	113.0°
H12	C7	H11	109.5°	113.0°
H14	C8	H13	109.5°	110.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	C5	C4	H8	116.9°	114.4°
C6	C5	C4	H7	116.8°	114.5°
C5	C6	C7	H9	115.9°	114.5°
C5	C6	C7	H10	115.9°	114.7°
C6	C5	C4	C3	94.3°	142.5°
C6	C5	C4	C7	17.7°	24.9°
C6	C5	C4	C8	131.1°	92.7°
C5	C6	H9	H10	130.8°	131.3°
C6	C5	H8	H7	128.6°	131.4°
C5	C6	C7	H12	98.8°	139.1°
C5	C6	C7	H11	135.2°	89.8°
C5	C4	C3	C7	96.0°	100.9°
C5	C4	C3	C8	144.6°	129.5°
C5	C4	C3	C2	171.1°	129.8°
C5	C4	C7	C8	127.7°	117.5°
C5	C4	C8	N1	168.1°	106.4°
C5	C4	C3	H5	69.3°	11.0°
C5	C4	C3	H6	51.4°	111.5°
C4	C5	C6	H9	134.1°	89.9°
C4	C5	C6	H10	97.8°	139.3°
C4	C5	H8	H7	128.6°	131.4°
C5	C4	C7	H12	99.1°	139.3°
C5	C4	C7	H11	134.8°	89.6°
C5	C4	C8	H14	48.1°	12.3°
C5	C4	C8	H13	71.8°	135.0°
C6	C7	C4	C3	101.9°	142.5°
C6	C7	C4	H12	116.9°	114.4°
C6	C7	C4	H11	116.9°	114.5°
C6	C7	C4	C8	145.6°	92.6°
C7	C6	H9	H10	130.8°	131.1°
C7	C6	C5	H8	135.0°	89.7°
C7	C6	C5	H7	98.7°	139.2°
C6	C7	H12	H11	128.2°	131.4°
C4	C3	C2	H5	119.7°	118.8°
C4	C3	C2	H6	119.7°	118.8°
C3	C4	C7	C8	112.5°	124.9°
C4	C3	C2	C1	136.7°	142.5°
C3	C4	C8	N1	27.1°	23.2°
C4	C3	C2	N1	17.8°	23.7°
C4	C3	H5	H6	121.0°	122.5°
C4	C3	C2	H1	102.7°	95.2°
C3	C4	C5	H8	22.6°	28.1°
C3	C4	C5	H7	148.9°	103.0°
C3	C4	C7	H12	141.2°	103.1°
C3	C4	C7	H11	15.0°	28.0°
C3	C4	C8	H14	92.9°	141.9°
C3	C4	C8	H13	147.2°	95.5°
C2	C3	C4	C7	93.0°	129.4°
C2	C3	C4	C8	26.4°	0.3°
C3	C2	C1	O1	67.8°	175.0°
C3	C2	C1	N1	117.3°	115.2°
C3	C2	C1	H1	120.7°	122.3°
C3	C2	N1	C8	0.3°	38.9°
C3	C2	N1	H1	119.9°	118.8°
C3	C2	N1	C9	156.1°	158.6°
C2	C3	H5	H6	121.0°	122.3°
C3	C2	C1	H3	172.3°	55.0°
C3	C2	C1	H4	52.0°	65.0°
C7	C4	C8	N1	92.1°	152.8°
C7	C4	C3	H5	26.7°	111.9°
C7	C4	C3	H6	147.3°	10.6°
C4	C7	C6	H9	134.1°	89.8°
C4	C7	C6	H10	97.7°	139.4°
C7	C4	C5	H8	134.6°	89.5°
C7	C4	C5	H7	99.1°	139.4°
C4	C7	H12	H11	128.3°	131.4°
C7	C4	C8	H14	147.8°	88.5°
C7	C4	C8	H13	27.9°	34.2°
C4	C8	N1	H14	120.0°	118.7°
C4	C8	N1	H13	120.1°	118.7°
C4	C8	N1	C2	17.1°	38.6°
C4	C8	N1	C9	138.9°	158.3°
C8	C4	C3	H5	146.1°	118.5°
C8	C4	C3	H6	93.3°	119.0°
C8	C4	C5	H8	112.0°	152.9°
C8	C4	C5	H7	14.3°	21.8°
C8	C4	C7	H12	28.6°	21.8°
C8	C4	C7	H11	97.5°	152.9°
C4	C8	H14	H13	119.9°	122.6°
O1	C1	C2	H3	119.9°	120.0°
O1	C1	C2	H4	119.9°	120.0°
O1	C1	C2	N1	174.8°	69.8°
O1	C1	H3	H4	120.4°	119.9°
O1	C1	C2	H1	52.8°	52.7°
C1	C2	N1	C8	119.1°	157.7°
C1	C2	N1	H1	121.4°	122.4°
C1	C2	N1	C9	85.2°	82.6°
C1	C2	C3	H5	103.7°	23.7°
C1	C2	C3	H6	17.0°	98.7°
C2	C1	H3	H4	120.3°	120.0°
C2	C1	O1	H2	180.0°	180.0°
C8	N1	C2	C9	155.7°	119.7°
C8	N1	C9	N2	156.3°	115.6°
C8	N1	C9	C12	24.6°	64.4°
C8	N1	C2	H1	119.6°	79.9°
N1	C8	H14	H13	119.9°	122.5°
C2	N1	C9	N2	4.4°	0.0°
C2	N1	C9	C12	176.4°	180.0°
N1	C2	C3	H5	137.5°	95.1°
N1	C2	C3	H6	101.9°	142.5°
N1	C2	C1	H3	54.9°	170.2°
N1	C2	C1	H4	65.3°	50.2°
C2	N1	C8	H14	102.9°	157.3°
C2	N1	C8	H13	137.2°	80.2°
N1	C9	N2	C12	179.2°	180.0°
N1	C9	C12	C13	0.2°	0.0°
N1	C9	N2	C10	179.8°	180.0°
N1	C9	C12	C11	179.7°	180.0°
C9	N1	C2	H1	36.2°	39.7°
C9	N1	C8	H14	101.1°	83.0°
C9	N1	C8	H13	18.8°	39.5°
N2	C9	C12	C13	179.3°	180.0°
N2	C9	C12	C11	0.5°	0.0°
C9	N2	C10	N3	0.6°	0.0°
C9	N2	C10	H15	179.4°	180.0°
C9	C12	C13	C11	179.9°	180.0°
C9	C12	C13	C14	180.0°	180.0°
C12	C9	N2	C10	0.6°	0.0°
C9	C12	C11	N4	179.9°	180.0°
C9	C12	C11	N3	0.4°	0.0°
C9	C12	C13	H16	0.0°	0.0°
C12	C13	C14	H16	180.0°	180.0°
C12	C13	C14	N4	0.2°	0.0°
C13	C12	C11	N4	0.0°	0.0°
C13	C12	C11	N3	179.5°	180.0°
C12	C13	C14	H17	179.8°	179.9°
C14	C13	C12	C11	0.1°	0.0°
C13	C14	N4	H17	180.0°	179.9°
C13	C14	N4	C11	0.2°	0.0°
C13	C14	N4	H18	179.8°	180.0°
N2	C10	N3	H15	180.0°	180.0°
N2	C10	N3	C11	0.4°	0.0°
C12	C11	N4	C14	0.1°	0.0°
C12	C11	N3	C10	0.3°	0.0°
C12	C11	N4	N3	179.5°	180.0°
C11	C12	C13	H16	179.9°	180.0°
C12	C11	N4	H18	179.9°	179.9°
C14	N4	C11	H18	180.0°	180.0°
C14	N4	C11	N3	179.6°	180.0°
N4	C14	C13	H16	179.9°	180.0°
C10	N3	C11	N4	179.7°	179.9°
C11	N4	C14	H17	179.8°	180.0°
C11	N3	C10	H15	179.7°	180.0°
N3	C11	N4	H18	0.4°	0.0°
H5	C3	C2	H1	16.9°	146.0°
H6	C3	C2	H1	137.6°	23.6°
H9	C6	C5	H8	109.1°	155.7°
H9	C6	C5	H7	17.2°	24.6°
H9	C6	C7	H12	17.2°	24.6°
H9	C6	C7	H11	108.9°	155.6°
H10	C6	C5	H8	19.0°	24.9°
H10	C6	C5	H7	145.4°	106.3°
H10	C6	C7	H12	145.3°	106.2°
H10	C6	C7	H11	19.3°	24.8°
H17	C14	C13	H16	0.1°	0.1°
H17	C14	N4	H18	0.2°	0.0°
H3	C1	C2	H1	67.1°	67.3°
H3	C1	O1	H2	60.1°	60.0°
H4	C1	C2	H1	172.7°	172.7°
H4	C1	O1	H2	60.2°	59.9°

Release date:	2025-06-11
Definition date:	2024-09-19
Last modified:	2025-06-06
Release status:	REL
Processing site:	RCSB
Derived from:	7HDJ