A1AYA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	sing	1.47Å	1.49Å
N1	C2	sing	1.47Å	1.50Å
N1	C5	sing	1.47Å	1.50Å
C2	C3	sing	1.53Å	1.51Å
C3	N2	sing	1.47Å	1.46Å
N2	C4	sing	1.47Å	1.46Å
N2	C6	sing	1.40Å	1.43Å
C4	C5	sing	1.53Å	1.51Å
C6	C7	doub	1.39Å	1.39Å	Aromatic
C6	C11	sing	1.39Å	1.41Å	Aromatic
C7	C8	sing	1.38Å	1.38Å	Aromatic
C8	C9	doub	1.38Å	1.38Å	Aromatic
C9	C10	sing	1.38Å	1.38Å	Aromatic
C10	C11	doub	1.38Å	1.39Å	Aromatic
C11	C12	sing	1.51Å	1.51Å
C12	O1	sing	1.43Å	1.42Å
C10	HC11	sing	1.08Å	1.08Å
C12	HC12	sing	1.09Å	1.10Å
C12	HC13	sing	1.09Å	1.10Å
C1	HC15	sing	1.09Å	1.10Å
C1	HC16	sing	1.09Å	1.10Å
C1	HC14	sing	1.09Å	1.10Å
C2	HC3	sing	1.09Å	1.10Å
C2	HC2	sing	1.09Å	1.10Å
C3	HC5	sing	1.09Å	1.10Å
C3	HC4	sing	1.09Å	1.10Å
C4	HC7	sing	1.09Å	1.10Å
C4	HC6	sing	1.09Å	1.10Å
C5	HC8	sing	1.09Å	1.10Å
C5	HC9	sing	1.09Å	1.10Å
C7	HC	sing	1.08Å	1.08Å
C8	HC1	sing	1.08Å	1.08Å
C9	HC10	sing	1.08Å	1.08Å
O1	HO	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	C2	111.8°	111.0°
C1	N1	C5	111.2°	111.0°
N1	C1	HC15	109.5°	109.5°
N1	C1	HC16	109.5°	109.5°
N1	C1	HC14	109.5°	109.4°
C2	N1	C5	111.2°	110.9°
N1	C2	C3	110.9°	109.3°
N1	C2	HC3	109.1°	109.5°
N1	C2	HC2	109.1°	109.5°
N1	C5	C4	111.4°	109.3°
N1	C5	HC8	109.0°	109.6°
N1	C5	HC9	109.0°	109.5°
C2	C3	N2	109.8°	109.3°
C3	C2	HC3	109.1°	109.5°
C3	C2	HC2	109.1°	109.5°
C2	C3	HC5	109.4°	109.5°
C2	C3	HC4	109.4°	109.4°
C3	N2	C4	114.7°	110.9°
C3	N2	C6	123.6°	111.0°
N2	C3	HC5	109.4°	109.5°
N2	C3	HC4	109.4°	109.5°
C4	N2	C6	121.7°	111.0°
N2	C4	C5	110.0°	109.4°
N2	C4	HC7	109.4°	109.5°
N2	C4	HC6	109.3°	109.5°
N2	C6	C7	119.6°	120.1°
N2	C6	C11	120.7°	120.1°
C5	C4	HC7	109.3°	109.4°
C5	C4	HC6	109.3°	109.5°
C4	C5	HC8	109.0°	109.5°
C4	C5	HC9	109.0°	109.4°
C7	C6	C11	119.7°	119.9°
C6	C7	C8	120.7°	119.9°
C6	C7	HC	119.7°	120.0°
C6	C11	C10	118.4°	119.9°
C6	C11	C12	123.2°	120.1°
C7	C8	C9	120.1°	120.1°
C8	C7	HC	119.7°	120.0°
C7	C8	HC1	120.0°	120.0°
C8	C9	C10	119.9°	120.1°
C9	C8	HC1	119.9°	120.0°
C8	C9	HC10	120.1°	119.9°
C9	C10	C11	121.2°	120.1°
C9	C10	HC11	119.4°	119.9°
C10	C9	HC10	120.0°	120.0°
C10	C11	C12	118.5°	120.0°
C11	C10	HC11	119.4°	120.0°
C11	C12	O1	112.9°	109.5°
C11	C12	HC12	108.6°	109.4°
C11	C12	HC13	108.6°	109.5°
O1	C12	HC12	108.6°	109.5°
O1	C12	HC13	108.6°	109.5°
C12	O1	HO	109.5°	114.0°
HC12	C12	HC13	109.5°	109.5°
HC15	C1	HC16	109.5°	109.5°
HC15	C1	HC14	109.4°	109.5°
HC16	C1	HC14	109.5°	109.4°
HC3	C2	HC2	109.5°	109.6°
HC5	C3	HC4	109.5°	109.6°
HC7	C4	HC6	109.4°	109.5°
HC8	C5	HC9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	C2	C5	124.9°	123.9°
C1	N1	C2	C3	73.2°	176.8°
C1	N1	C5	C4	130.8°	176.8°
N1	C1	HC15	HC16	120.0°	120.0°
N1	C1	HC15	HC14	120.0°	120.0°
N1	C1	HC16	HC14	120.0°	120.0°
C1	N1	C2	HC3	166.6°	63.3°
C1	N1	C2	HC2	47.0°	56.9°
C1	N1	C5	HC8	10.5°	56.8°
C1	N1	C5	HC9	108.9°	63.3°
N1	C2	C3	HC3	120.2°	119.9°
N1	C2	C3	HC2	120.2°	119.9°
N1	C2	C3	N2	58.5°	58.4°
C2	N1	C5	C4	5.5°	59.3°
C2	N1	C1	HC15	180.0°	60.0°
C2	N1	C1	HC16	60.0°	180.0°
C2	N1	C1	HC14	60.0°	60.0°
N1	C2	HC3	HC2	119.3°	120.1°
N1	C2	C3	HC5	178.6°	61.6°
N1	C2	C3	HC4	61.5°	178.4°
C2	N1	C5	HC8	114.8°	179.3°
C2	N1	C5	HC9	125.8°	60.5°
C5	N1	C2	C3	51.7°	59.4°
N1	C5	C4	N2	57.0°	58.4°
N1	C5	C4	HC8	120.3°	120.0°
N1	C5	C4	HC9	120.3°	119.9°
C5	N1	C1	HC15	55.1°	176.2°
C5	N1	C1	HC16	64.9°	56.1°
C5	N1	C1	HC14	175.0°	63.8°
C5	N1	C2	HC3	68.5°	60.6°
C5	N1	C2	HC2	171.9°	179.3°
N1	C5	C4	HC7	63.1°	178.3°
N1	C5	C4	HC6	177.2°	61.7°
N1	C5	HC8	HC9	119.1°	120.1°
C2	C3	N2	HC5	120.1°	119.9°
C2	C3	N2	HC4	120.0°	119.9°
C2	C3	N2	C4	5.7°	59.4°
C2	C3	N2	C6	175.1°	176.8°
C3	C2	HC3	HC2	119.4°	120.1°
C2	C3	HC5	HC4	119.9°	120.0°
C3	N2	C4	C6	179.2°	123.8°
C3	N2	C4	C5	51.1°	59.4°
C3	N2	C6	C7	105.6°	59.9°
C3	N2	C6	C11	75.5°	120.0°
N2	C3	C2	HC3	61.7°	61.5°
N2	C3	C2	HC2	178.7°	178.4°
N2	C3	HC5	HC4	119.9°	120.1°
C3	N2	C4	HC7	69.0°	179.3°
C3	N2	C4	HC6	171.2°	60.6°
N2	C4	C5	HC7	120.1°	120.0°
N2	C4	C5	HC6	120.1°	120.0°
C4	N2	C6	C7	73.4°	63.8°
C4	N2	C6	C11	105.5°	116.2°
C4	N2	C3	HC5	125.8°	60.5°
C4	N2	C3	HC4	114.3°	179.3°
N2	C4	HC7	HC6	119.8°	120.1°
N2	C4	C5	HC8	63.3°	178.4°
N2	C4	C5	HC9	177.3°	61.6°
C6	N2	C4	C5	128.1°	176.8°
N2	C6	C7	C11	178.9°	180.0°
N2	C6	C7	C8	179.9°	180.0°
N2	C6	C11	C10	179.8°	180.0°
N2	C6	C11	C12	0.8°	0.0°
C6	N2	C3	HC5	55.1°	63.3°
C6	N2	C3	HC4	64.9°	56.9°
C6	N2	C4	HC7	111.8°	56.9°
C6	N2	C4	HC6	8.0°	63.2°
N2	C6	C7	HC	0.1°	0.0°
C5	C4	HC7	HC6	119.7°	120.0°
C4	C5	HC8	HC9	119.1°	120.0°
C6	C7	C8	HC	180.0°	179.9°
C6	C7	C8	C9	0.5°	0.3°
C7	C6	C11	C10	0.9°	0.1°
C7	C6	C11	C12	179.7°	180.0°
C6	C7	C8	HC1	179.5°	180.0°
C11	C6	C7	C8	0.9°	0.1°
C6	C11	C10	C9	0.5°	0.3°
C6	C11	C10	C12	179.4°	180.0°
C6	C11	C12	O1	105.8°	180.0°
C6	C11	C10	HC11	179.6°	179.9°
C6	C11	C12	HC12	133.7°	60.0°
C6	C11	C12	HC13	14.7°	59.9°
C11	C6	C7	HC	179.1°	180.0°
C7	C8	C9	HC1	180.0°	179.7°
C7	C8	C9	C10	0.1°	0.5°
C7	C8	C9	HC10	180.0°	180.0°
C8	C9	C10	HC10	180.0°	179.5°
C8	C9	C10	C11	0.0°	0.5°
C8	C9	C10	HC11	180.0°	179.7°
C9	C8	C7	HC	179.5°	179.8°
C9	C10	C11	HC11	180.0°	179.8°
C9	C10	C11	C12	179.9°	179.7°
C10	C9	C8	HC1	180.0°	179.7°
C10	C11	C12	O1	73.6°	0.0°
C10	C11	C12	HC12	46.9°	120.0°
C10	C11	C12	HC13	165.9°	120.0°
C11	C10	C9	HC10	180.0°	180.0°
C11	C12	O1	HC12	120.5°	119.9°
C11	C12	O1	HC13	120.5°	120.0°
C12	C11	C10	HC11	0.1°	0.0°
C11	C12	HC12	HC13	118.4°	119.9°
C11	C12	O1	HO	180.0°	180.0°
O1	C12	HC12	HC13	118.5°	120.1°
HC11	C10	C9	HC10	0.0°	0.2°
HC12	C12	O1	HO	59.5°	60.1°
HC13	C12	O1	HO	59.5°	60.0°
HC15	C1	HC16	HC14	119.9°	120.0°
HC3	C2	C3	HC5	58.4°	178.5°
HC3	C2	C3	HC4	178.3°	58.4°
HC2	C2	C3	HC5	61.2°	58.4°
HC2	C2	C3	HC4	58.7°	61.7°
HC7	C4	C5	HC8	176.6°	61.6°
HC7	C4	C5	HC9	57.2°	58.4°
HC6	C4	C5	HC8	56.8°	58.4°
HC6	C4	C5	HC9	62.6°	178.4°
HC	C7	C8	HC1	0.5°	0.0°
HC1	C8	C9	HC10	0.0°	0.2°

Release date:	2025-03-26
Definition date:	2024-07-11
Last modified:	2025-03-21
Release status:	REL
Processing site:	RCSB
Derived from:	7HAU