A1IUI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	doub	1.32Å	1.35Å	Aromatic
N1	C6	sing	1.33Å	1.35Å	Aromatic
C2	C3	sing	1.38Å	1.40Å	Aromatic
C3	C4	doub	1.39Å	1.39Å	Aromatic
C4	C5	sing	1.40Å	1.39Å	Aromatic
C4	N10	sing	1.39Å	1.36Å
C5	C6	doub	1.40Å	1.39Å	Aromatic
C5	C7	sing	1.46Å	1.50Å	Aromatic
C6	N9	sing	1.37Å	1.34Å	Aromatic
C7	C8	doub	1.34Å	1.34Å	Aromatic
C8	N9	sing	1.37Å	1.30Å	Aromatic
N10	C11	sing	1.40Å	1.36Å
C11	C12	doub	1.39Å	1.40Å	Aromatic
C11	C16	sing	1.39Å	1.42Å	Aromatic
C12	C13	sing	1.38Å	1.40Å	Aromatic
C13	C14	doub	1.39Å	1.40Å	Aromatic
C14	C15	sing	1.39Å	1.41Å	Aromatic
C14	O17	sing	1.36Å	1.41Å
C15	C16	doub	1.38Å	1.41Å	Aromatic
O17	C18	sing	1.43Å	1.44Å
C18	C19	sing	1.53Å	1.55Å
C18	C23	sing	1.53Å	1.56Å
C19	C20	sing	1.53Å	1.55Å
C20	C21	sing	1.53Å	1.55Å
C21	N22	sing	1.47Å	1.49Å
N22	C23	sing	1.47Å	1.50Å
C2	H1	sing	1.08Å	1.08Å
C3	H2	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
C13	H8	sing	1.08Å	1.08Å
C15	H9	sing	1.08Å	1.08Å
C16	H10	sing	1.08Å	1.08Å
C18	H11	sing	1.09Å	1.10Å
C19	H12	sing	1.09Å	1.10Å
C19	H13	sing	1.09Å	1.10Å
C20	H15	sing	1.09Å	1.10Å
C20	H14	sing	1.09Å	1.10Å
C21	H17	sing	1.09Å	1.10Å
C21	H16	sing	1.09Å	1.10Å
C23	H20	sing	1.09Å	1.10Å
C23	H21	sing	1.09Å	1.10Å
C7	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.08Å	1.08Å
N9	H5	sing	0.97Å	1.00Å
N10	H6	sing	0.97Å	1.00Å
N22	H18	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C6	118.2°	121.8°
N1	C2	C3	121.9°	121.7°
N1	C2	H1	119.1°	119.2°
N1	C6	C5	121.3°	119.9°
N1	C6	N9	129.8°	133.1°
C2	C3	C4	121.2°	119.3°
C3	C2	H1	119.1°	119.2°
C2	C3	H2	119.4°	120.4°
C3	C4	C5	114.8°	117.9°
C3	C4	N10	122.1°	121.0°
C4	C3	H2	119.4°	120.3°
C5	C4	N10	123.0°	121.0°
C4	C5	C6	122.6°	119.4°
C4	C5	C7	134.3°	134.3°
C4	N10	C11	121.4°	120.0°
C4	N10	H6	119.3°	120.0°
C6	C5	C7	103.0°	106.3°
C5	C6	N9	109.0°	107.0°
C5	C7	C8	106.1°	106.9°
C5	C7	H3	127.0°	126.6°
C6	N9	C8	111.3°	110.0°
C6	N9	H5	124.4°	125.1°
C7	C8	N9	110.6°	109.8°
C8	C7	H3	126.9°	126.6°
C7	C8	H4	124.7°	125.1°
N9	C8	H4	124.7°	125.1°
C8	N9	H5	124.4°	124.9°
N10	C11	C12	118.1°	120.0°
N10	C11	C16	123.6°	120.0°
C11	N10	H6	119.3°	120.0°
C12	C11	C16	118.3°	119.9°
C11	C12	C13	120.7°	120.0°
C11	C12	H7	119.7°	120.0°
C11	C16	C15	121.4°	120.0°
C11	C16	H10	119.3°	120.0°
C12	C13	C14	121.4°	120.1°
C13	C12	H7	119.7°	120.0°
C12	C13	H8	119.3°	120.0°
C13	C14	C15	118.8°	120.0°
C13	C14	O17	117.7°	120.0°
C14	C13	H8	119.3°	120.0°
C15	C14	O17	123.4°	120.0°
C14	C15	C16	119.5°	120.1°
C14	C15	H9	120.3°	120.0°
C14	O17	C18	130.0°	116.9°
C16	C15	H9	120.2°	119.9°
C15	C16	H10	119.3°	120.1°
O17	C18	C19	105.9°	109.5°
O17	C18	C23	107.0°	109.5°
O17	C18	H11	113.1°	109.6°
C19	C18	C23	108.1°	109.3°
C18	C19	C20	110.7°	109.1°
C19	C18	H11	111.2°	109.5°
C18	C19	H12	109.2°	109.5°
C18	C19	H13	109.2°	109.5°
C18	C23	N22	113.4°	109.5°
C23	C18	H11	111.1°	109.5°
C18	C23	H20	108.5°	109.5°
C18	C23	H21	108.5°	109.5°
C19	C20	C21	109.7°	109.3°
C20	C19	H12	109.2°	109.6°
C20	C19	H13	109.2°	109.5°
C19	C20	H15	109.4°	109.5°
C19	C20	H14	109.4°	109.5°
C20	C21	N22	111.5°	109.5°
C21	C20	H15	109.4°	109.5°
C21	C20	H14	109.4°	109.5°
C20	C21	H17	109.0°	109.5°
C20	C21	H16	109.0°	109.5°
C21	N22	C23	116.1°	111.2°
N22	C21	H17	109.0°	109.4°
N22	C21	H16	109.0°	109.4°
C21	N22	H18	107.8°	111.0°
N22	C23	H20	108.5°	109.5°
N22	C23	H21	108.5°	109.4°
C23	N22	H18	107.8°	110.9°
H12	C19	H13	109.5°	109.5°
H15	C20	H14	109.5°	109.5°
H17	C21	H16	109.5°	109.5°
H20	C23	H21	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	C3	H1	180.0°	179.7°
N1	C2	C3	C4	2.6°	0.3°
C2	N1	C6	C5	0.6°	0.5°
C2	N1	C6	N9	179.6°	180.0°
N1	C2	C3	H2	177.3°	179.8°
C6	N1	C2	C3	1.6°	0.1°
N1	C6	C5	C4	1.9°	0.7°
N1	C6	C5	N9	179.2°	179.6°
N1	C6	C5	C7	179.5°	179.6°
N1	C6	N9	C8	178.8°	179.1°
C6	N1	C2	H1	178.4°	179.8°
N1	C6	N9	H5	1.2°	0.0°
C2	C3	C4	H2	180.0°	179.9°
C2	C3	C4	C5	1.3°	0.1°
C2	C3	C4	N10	175.8°	180.0°
C3	C4	C5	N10	177.1°	180.0°
C3	C4	C5	C6	0.9°	0.4°
C3	C4	C5	C7	179.1°	179.9°
C3	C4	N10	C11	24.1°	7.9°
C4	C3	C2	H1	177.4°	180.0°
C3	C4	N10	H6	155.9°	172.1°
C4	C5	C6	C7	178.7°	179.7°
C4	C5	C6	N9	178.9°	179.7°
C4	C5	C7	C8	179.1°	179.9°
C5	C4	N10	C11	159.0°	172.1°
C5	C4	C3	H2	178.7°	180.0°
C4	C5	C7	H3	0.8°	0.1°
C5	C4	N10	H6	21.0°	7.8°
N10	C4	C5	C6	177.9°	179.5°
N10	C4	C5	C7	3.9°	0.1°
C4	N10	C11	H6	180.0°	180.0°
C4	N10	C11	C12	89.4°	138.4°
C4	N10	C11	C16	90.7°	41.8°
N10	C4	C3	H2	4.2°	0.1°
C6	C5	C7	C8	0.7°	0.4°
C5	C6	N9	C8	0.4°	0.5°
C6	C5	C7	H3	179.3°	179.6°
C5	C6	N9	H5	179.6°	179.5°
C7	C5	C6	N9	0.2°	0.1°
C5	C7	C8	H3	180.0°	180.0°
C5	C7	C8	N9	1.0°	0.7°
C5	C7	C8	H4	179.0°	180.0°
C6	N9	C8	C7	0.9°	0.8°
C6	N9	C8	H5	180.0°	179.0°
C6	N9	C8	H4	179.1°	179.9°
C7	C8	N9	H4	180.0°	179.3°
C7	C8	N9	H5	179.1°	179.8°
N9	C8	C7	H3	179.0°	179.3°
N10	C11	C12	C16	180.0°	179.8°
N10	C11	C12	C13	179.4°	179.8°
N10	C11	C16	C15	179.7°	179.7°
N10	C11	C12	H7	0.6°	0.3°
N10	C11	C16	H10	0.3°	0.2°
C11	C12	C13	H7	180.0°	179.9°
C11	C12	C13	C14	1.1°	0.0°
C12	C11	C16	C15	0.3°	0.0°
C11	C12	C13	H8	178.9°	180.0°
C12	C11	C16	H10	179.7°	180.0°
C12	C11	N10	H6	90.7°	41.6°
C16	C11	C12	C13	0.6°	0.0°
C11	C16	C15	C14	0.5°	0.1°
C11	C16	C15	H10	180.0°	180.0°
C16	C11	C12	H7	179.4°	179.9°
C11	C16	C15	H9	179.5°	180.0°
C16	C11	N10	H6	89.3°	138.1°
C12	C13	C14	H8	180.0°	180.0°
C12	C13	C14	C15	1.3°	0.0°
C12	C13	C14	O17	177.8°	180.0°
C13	C14	C15	O17	176.3°	180.0°
C13	C14	C15	C16	1.0°	0.0°
C13	C14	O17	C18	163.1°	5.3°
C14	C13	C12	H7	178.9°	179.9°
C13	C14	C15	H9	179.0°	180.0°
C14	C15	C16	H9	180.0°	179.9°
C15	C14	O17	C18	20.6°	174.7°
C15	C14	C13	H8	178.7°	180.0°
C14	C15	C16	H10	179.5°	180.0°
O17	C14	C15	C16	177.3°	180.0°
C14	O17	C18	C19	94.9°	155.2°
C14	O17	C18	C23	149.9°	85.0°
O17	C14	C13	H8	2.2°	0.0°
O17	C14	C15	H9	2.7°	0.1°
C14	O17	C18	H11	27.2°	35.1°
O17	C18	C19	C23	114.4°	119.9°
O17	C18	C19	H11	123.3°	120.1°
O17	C18	C23	H11	124.0°	120.1°
O17	C18	C19	C20	56.1°	177.6°
O17	C18	C23	N22	61.4°	179.1°
O17	C18	C19	H12	64.1°	57.6°
O17	C18	C19	H13	176.2°	62.5°
O17	C18	C23	H20	178.1°	60.9°
O17	C18	C23	H21	59.2°	59.1°
C19	C18	C23	H11	122.4°	120.0°
C18	C19	C20	H12	120.2°	119.9°
C18	C19	C20	H13	120.2°	119.9°
C18	C19	C20	C21	60.1°	57.7°
C19	C18	C23	N22	52.3°	59.2°
C18	C19	H12	H13	119.4°	120.1°
C18	C19	C20	H15	59.9°	177.6°
C18	C19	C20	H14	179.8°	62.3°
C19	C18	C23	H20	68.2°	179.2°
C19	C18	C23	H21	172.9°	60.8°
C23	C18	C19	C20	58.3°	57.7°
C18	C23	N22	C21	49.8°	61.7°
C18	C23	N22	H20	120.6°	120.1°
C18	C23	N22	H21	120.6°	120.0°
C23	C18	C19	H12	178.5°	62.3°
C23	C18	C19	H13	61.8°	177.6°
C18	C23	H20	H21	118.2°	120.0°
C18	C23	N22	H18	71.1°	174.2°
C19	C20	C21	H15	120.0°	120.0°
C19	C20	C21	H14	120.0°	120.0°
C19	C20	C21	N22	53.9°	59.2°
C20	C19	C18	H11	179.3°	62.3°
C20	C19	H12	H13	119.4°	120.2°
C19	C20	H15	H14	119.9°	120.1°
C19	C20	C21	H17	174.2°	60.8°
C19	C20	C21	H16	66.4°	179.2°
C20	C21	N22	H17	120.3°	120.1°
C20	C21	N22	H16	120.3°	120.0°
C20	C21	N22	C23	49.8°	61.7°
C21	C20	C19	H12	179.7°	62.2°
C21	C20	C19	H13	60.1°	177.6°
C21	C20	H15	H14	119.9°	120.1°
C20	C21	H17	H16	119.1°	120.0°
C20	C21	N22	H18	71.2°	174.2°
C21	N22	C23	H18	121.0°	124.1°
N22	C21	C20	H15	66.1°	179.2°
N22	C21	C20	H14	173.9°	60.8°
N22	C21	H17	H16	119.1°	119.9°
C21	N22	C23	H20	70.8°	178.2°
C21	N22	C23	H21	170.4°	58.3°
N22	C23	C18	H11	174.7°	60.8°
C23	N22	C21	H17	170.1°	58.3°
C23	N22	C21	H16	70.5°	178.2°
N22	C23	H20	H21	118.2°	119.9°
H1	C2	C3	H2	2.7°	0.1°
H7	C12	C13	H8	1.1°	0.1°
H9	C15	C16	H10	0.5°	0.1°
H11	C18	C19	H12	59.1°	177.8°
H11	C18	C19	H13	60.5°	57.6°
H11	C18	C23	H20	54.1°	59.2°
H11	C18	C23	H21	64.7°	179.3°
H12	C19	C20	H15	60.3°	57.7°
H12	C19	C20	H14	59.6°	177.8°
H13	C19	C20	H15	179.9°	62.5°
H13	C19	C20	H14	60.0°	57.6°
H15	C20	C21	H17	54.2°	59.2°
H15	C20	C21	H16	173.5°	60.9°
H14	C20	C21	H17	65.8°	179.2°
H14	C20	C21	H16	53.6°	59.2°
H17	C21	N22	H18	49.1°	65.8°
H16	C21	N22	H18	168.5°	54.2°
H20	C23	N22	H18	168.3°	54.1°
H21	C23	N22	H18	49.4°	65.9°
H3	C7	C8	H4	1.0°	0.0°
H4	C8	N9	H5	0.9°	0.9°

Release date:	2025-07-09
Definition date:	2024-11-19
Last modified:	2025-07-04
Release status:	REL
Processing site:	PDBE
Derived from:	9HFP