A1IU2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N4	C11	doub	1.32Å	1.34Å	Aromatic
N4	C12	sing	1.32Å	1.34Å	Aromatic
C11	C10	sing	1.38Å	1.37Å	Aromatic
C10	C9	doub	1.39Å	1.40Å	Aromatic
C12	C13	doub	1.38Å	1.37Å	Aromatic
C13	C9	sing	1.39Å	1.40Å	Aromatic
C9	N3	sing	1.40Å	1.41Å
O2	C8	doub	1.21Å	1.24Å
N3	C8	sing	1.35Å	1.36Å
C8	C7	sing	1.51Å	1.53Å
C7	C6	sing	1.53Å	1.52Å
N2	C6	sing	1.47Å	1.44Å
N2	C5	sing	1.35Å	1.34Å
N1	C5	sing	1.35Å	1.39Å
N1	C4	sing	1.40Å	1.39Å
C5	O1	doub	1.22Å	1.22Å
N5	C4	doub	1.31Å	1.31Å	Aromatic
N5	O3	sing	1.21Å	1.43Å	Aromatic
C4	C3	sing	1.42Å	1.41Å	Aromatic
O3	C2	sing	1.34Å	1.35Å	Aromatic
C3	C2	doub	1.35Å	1.34Å	Aromatic
C2	C1	sing	1.51Å	1.48Å
C10	H12	sing	1.08Å	1.08Å
C13	H15	sing	1.08Å	1.08Å
C11	H13	sing	1.08Å	1.08Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.08Å	1.08Å
N1	H5	sing	0.97Å	1.00Å
N2	H6	sing	0.97Å	1.00Å
C6	H8	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C7	H10	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
N3	H11	sing	0.97Å	1.00Å
C12	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	N4	C12	116.2°	121.9°
N4	C11	C10	124.2°	120.8°
N4	C11	H13	117.9°	119.6°
N4	C12	C13	124.3°	120.9°
N4	C12	H14	117.8°	119.6°
C11	C10	C9	118.7°	119.1°
C11	C10	H12	120.7°	120.5°
C10	C11	H13	117.9°	119.5°
C10	C9	C13	117.9°	118.3°
C10	C9	N3	123.0°	120.9°
C9	C10	H12	120.6°	120.5°
C12	C13	C9	118.7°	119.0°
C12	C13	H15	120.7°	120.4°
C13	C12	H14	117.8°	119.6°
C13	C9	N3	119.2°	120.8°
C9	C13	H15	120.7°	120.6°
C9	N3	C8	129.6°	120.0°
C9	N3	H11	115.2°	120.0°
O2	C8	N3	122.2°	120.0°
O2	C8	C7	123.8°	120.0°
N3	C8	C7	113.9°	120.0°
C8	N3	H11	115.2°	120.0°
C8	C7	C6	113.7°	109.5°
C8	C7	H10	108.4°	109.5°
C8	C7	H9	108.4°	109.5°
C7	C6	N2	112.2°	109.5°
C7	C6	H8	108.8°	109.5°
C7	C6	H7	108.8°	109.5°
C6	C7	H10	108.4°	109.5°
C6	C7	H9	108.4°	109.4°
C6	N2	C5	122.2°	120.0°
C6	N2	H6	118.9°	120.0°
N2	C6	H8	108.8°	109.5°
N2	C6	H7	108.8°	109.5°
N2	C5	N1	114.3°	120.0°
N2	C5	O1	123.3°	120.0°
C5	N2	H6	118.9°	120.0°
C5	N1	C4	127.5°	120.0°
N1	C5	O1	122.3°	120.0°
C5	N1	H5	116.3°	120.0°
N1	C4	N5	119.7°	126.8°
N1	C4	C3	128.7°	126.9°
C4	N1	H5	116.3°	120.0°
C4	N5	O3	105.0°	111.5°
N5	C4	C3	111.6°	106.3°
N5	O3	C2	108.3°	111.7°
C4	C3	C2	106.0°	104.0°
C4	C3	H4	127.0°	128.0°
O3	C2	C3	109.1°	106.6°
O3	C2	C1	117.4°	126.7°
C3	C2	C1	133.5°	126.7°
C2	C3	H4	127.0°	128.0°
C2	C1	H1	109.5°	109.4°
C2	C1	H2	109.5°	109.5°
C2	C1	H3	109.5°	109.5°
H1	C1	H2	109.5°	109.5°
H1	C1	H3	109.4°	109.5°
H2	C1	H3	109.5°	109.5°
H8	C6	H7	109.5°	109.5°
H10	C7	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N4	C11	C10	H13	180.0°	179.9°
N4	C11	C10	C9	1.2°	0.0°
C11	N4	C12	C13	1.1°	0.3°
N4	C11	C10	H12	178.8°	179.7°
C11	N4	C12	H14	178.9°	180.0°
C12	N4	C11	C10	1.5°	0.0°
N4	C12	C13	H14	180.0°	179.7°
N4	C12	C13	C9	0.4°	0.5°
N4	C12	C13	H15	179.6°	180.0°
C12	N4	C11	H13	178.5°	180.0°
C11	C10	C9	H12	180.0°	179.7°
C11	C10	C9	C13	0.5°	0.3°
C11	C10	C9	N3	179.6°	179.7°
C10	C9	C13	C12	0.1°	0.5°
C10	C9	C13	N3	179.9°	180.0°
C10	C9	N3	C8	8.4°	34.9°
C10	C9	C13	H15	180.0°	180.0°
C9	C10	C11	H13	178.8°	180.0°
C10	C9	N3	H11	171.6°	145.0°
C12	C13	C9	H15	180.0°	179.4°
C12	C13	C9	N3	180.0°	179.4°
C13	C9	N3	C8	171.5°	145.1°
C13	C9	C10	H12	179.5°	180.0°
C13	C9	N3	H11	8.5°	34.9°
C9	C13	C12	H14	179.6°	179.8°
C9	N3	C8	O2	3.3°	4.6°
C9	N3	C8	H11	180.0°	179.9°
C9	N3	C8	C7	174.2°	175.3°
N3	C9	C10	H12	0.4°	0.0°
N3	C9	C13	H15	0.0°	0.0°
O2	C8	N3	C7	177.4°	179.9°
O2	C8	C7	C6	0.4°	0.0°
O2	C8	C7	H10	121.1°	120.0°
O2	C8	C7	H9	120.2°	119.9°
O2	C8	N3	H11	176.7°	175.3°
N3	C8	C7	C6	177.8°	179.9°
N3	C8	C7	H10	61.6°	60.0°
N3	C8	C7	H9	57.2°	60.0°
C8	C7	C6	H10	120.6°	120.0°
C8	C7	C6	H9	120.6°	120.0°
C8	C7	C6	N2	63.9°	180.0°
C8	C7	C6	H8	175.6°	60.0°
C8	C7	C6	H7	56.5°	60.0°
C8	C7	H10	H9	118.0°	120.0°
C7	C8	N3	H11	5.8°	4.7°
C7	C6	N2	H8	120.4°	120.0°
C7	C6	N2	H7	120.4°	120.0°
C7	C6	N2	C5	118.8°	180.0°
C7	C6	N2	H6	61.2°	0.0°
C7	C6	H8	H7	118.7°	120.0°
C6	C7	H10	H9	118.0°	119.9°
C6	N2	C5	H6	180.0°	179.9°
C6	N2	C5	N1	172.3°	180.0°
C6	N2	C5	O1	8.4°	0.1°
N2	C6	H8	H7	118.7°	120.0°
N2	C6	C7	H10	56.7°	60.0°
N2	C6	C7	H9	175.4°	60.0°
N2	C5	N1	O1	179.3°	179.9°
N2	C5	N1	C4	176.2°	180.0°
N2	C5	N1	H5	3.8°	0.1°
C5	N2	C6	H8	1.6°	60.0°
C5	N2	C6	H7	120.8°	60.0°
C5	N1	C4	H5	180.0°	179.9°
C5	N1	C4	N5	166.9°	179.9°
C5	N1	C4	C3	10.3°	0.0°
N1	C5	N2	H6	7.7°	0.1°
C4	N1	C5	O1	3.1°	0.1°
N1	C4	N5	C3	177.6°	179.9°
N1	C4	N5	O3	175.8°	179.7°
N1	C4	C3	C2	176.3°	180.0°
N1	C4	C3	H4	3.7°	0.1°
O1	C5	N1	H5	176.9°	180.0°
O1	C5	N2	H6	171.6°	180.0°
C4	N5	O3	C2	2.1°	0.4°
N5	C4	C3	C2	1.0°	0.1°
N5	C4	C3	H4	179.0°	179.9°
N5	C4	N1	H5	13.1°	0.0°
O3	N5	C4	C3	1.9°	0.2°
N5	O3	C2	C3	1.5°	0.5°
N5	O3	C2	C1	177.3°	179.9°
C4	C3	C2	O3	0.4°	0.3°
C4	C3	C2	H4	180.0°	179.9°
C4	C3	C2	C1	178.2°	180.0°
C3	C4	N1	H5	169.7°	179.9°
O3	C2	C3	C1	178.6°	179.7°
O3	C2	C1	H1	0.0°	90.3°
O3	C2	C1	H2	120.0°	29.7°
O3	C2	C1	H3	120.0°	149.7°
O3	C2	C3	H4	179.6°	179.9°
C3	C2	C1	H1	178.5°	90.1°
C3	C2	C1	H2	61.5°	149.9°
C3	C2	C1	H3	58.5°	29.9°
C2	C1	H1	H2	120.0°	120.0°
C2	C1	H1	H3	120.0°	120.0°
C2	C1	H2	H3	120.0°	120.0°
C1	C2	C3	H4	1.8°	0.2°
H12	C10	C11	H13	1.2°	0.4°
H15	C13	C12	H14	0.4°	0.3°
H1	C1	H2	H3	120.0°	120.0°
H6	N2	C6	H8	178.4°	120.0°
H6	N2	C6	H7	59.2°	120.0°
H8	C6	C7	H10	63.7°	NaN°
H8	C6	C7	H9	55.0°	60.0°
H7	C6	C7	H10	177.1°	60.0°
H7	C6	C7	H9	64.2°	180.0°

Release date:	2025-12-03
Definition date:	2024-11-23
Last modified:	2025-11-28
Release status:	REL
Processing site:	PDBE
Derived from:	9HI0