A1AR9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	sing	1.40Å	1.46Å
C1	C16	doub	1.39Å	1.39Å	Aromatic
C1	C19	sing	1.39Å	1.40Å	Aromatic
N1	C2	sing	1.40Å	1.47Å
N1	C3	sing	1.35Å	1.39Å
C2	C5	doub	1.39Å	1.40Å	Aromatic
C2	C9	sing	1.39Å	1.40Å	Aromatic
C3	C4	sing	1.51Å	1.50Å
C3	O1	doub	1.21Å	1.23Å
C4	F1	sing	1.40Å	1.33Å
C5	C6	sing	1.39Å	1.41Å	Aromatic
C6	C7	doub	1.39Å	1.40Å	Aromatic
C6	C10	sing	1.48Å	1.49Å
C7	C8	sing	1.38Å	1.39Å	Aromatic
C8	C9	doub	1.38Å	1.39Å	Aromatic
C10	C11	doub	1.39Å	1.40Å	Aromatic
C10	C15	sing	1.39Å	1.40Å	Aromatic
C11	C12	sing	1.38Å	1.38Å	Aromatic
C12	C13	doub	1.38Å	1.39Å	Aromatic
C12	CL1	sing	1.74Å	1.74Å
C13	C14	sing	1.38Å	1.38Å	Aromatic
C14	C15	doub	1.38Å	1.39Å	Aromatic
C16	C17	sing	1.39Å	1.39Å	Aromatic
C17	C18	doub	1.38Å	1.38Å	Aromatic
C17	CL2	sing	1.74Å	1.73Å
C18	N2	sing	1.32Å	1.34Å	Aromatic
N2	C19	doub	1.32Å	1.34Å	Aromatic
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.08Å	1.08Å
C13	H8	sing	1.08Å	1.08Å
C15	H10	sing	1.08Å	1.08Å
C11	H7	sing	1.08Å	1.08Å
C14	H9	sing	1.08Å	1.08Å
C16	H11	sing	1.08Å	1.08Å
C18	H12	sing	1.08Å	1.08Å
C19	H13	sing	1.08Å	1.08Å
C9	H6	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C1	C16	123.4°	120.5°
N1	C1	C19	119.0°	120.5°
C1	N1	C2	119.2°	120.1°
C1	N1	C3	114.9°	120.0°
C16	C1	C19	117.6°	119.0°
C1	C16	C17	118.0°	118.3°
C1	C16	H11	121.0°	120.8°
C1	C19	N2	124.4°	120.7°
C1	C19	H13	117.8°	119.6°
C2	N1	C3	125.9°	120.0°
N1	C2	C5	122.0°	120.0°
N1	C2	C9	119.2°	120.0°
N1	C3	C4	122.0°	120.0°
N1	C3	O1	121.1°	120.0°
C5	C2	C9	118.7°	120.0°
C2	C5	C6	120.4°	119.8°
C2	C5	H3	119.8°	120.1°
C2	C9	C8	121.1°	120.2°
C2	C9	H6	119.5°	119.9°
C4	C3	O1	116.7°	120.0°
C3	C4	F1	115.5°	109.5°
C3	C4	H1	107.9°	109.5°
C3	C4	H2	107.9°	109.4°
F1	C4	H1	108.0°	109.5°
F1	C4	H2	108.0°	109.5°
C5	C6	C7	119.6°	119.9°
C5	C6	C10	120.9°	120.0°
C6	C5	H3	119.8°	120.1°
C7	C6	C10	119.5°	120.1°
C6	C7	C8	120.0°	120.0°
C6	C7	H4	120.0°	120.0°
C6	C10	C11	118.9°	120.1°
C6	C10	C15	123.0°	120.1°
C7	C8	C9	120.1°	120.2°
C8	C7	H4	120.0°	120.0°
C7	C8	H5	119.9°	119.9°
C9	C8	H5	120.0°	119.9°
C8	C9	H6	119.4°	119.9°
C11	C10	C15	118.2°	119.8°
C10	C11	C12	119.9°	119.9°
C10	C11	H7	120.1°	120.1°
C10	C15	C14	120.8°	119.9°
C10	C15	H10	119.6°	120.0°
C11	C12	C13	122.1°	120.1°
C11	C12	CL1	116.8°	120.0°
C12	C11	H7	120.0°	120.0°
C13	C12	CL1	121.0°	120.0°
C12	C13	C14	118.4°	120.2°
C12	C13	H8	120.8°	119.8°
C13	C14	C15	120.5°	120.2°
C14	C13	H8	120.8°	119.9°
C13	C14	H9	119.7°	119.9°
C14	C15	H10	119.6°	120.1°
C15	C14	H9	119.7°	119.9°
C16	C17	C18	120.4°	119.2°
C16	C17	CL2	120.4°	120.4°
C17	C16	H11	121.0°	120.8°
C18	C17	CL2	119.2°	120.4°
C17	C18	N2	122.5°	120.9°
C17	C18	H12	118.7°	119.5°
C18	N2	C19	117.1°	121.8°
N2	C18	H12	118.7°	119.6°
N2	C19	H13	117.8°	119.7°
H1	C4	H2	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C1	C16	C19	179.6°	179.6°
C1	N1	C2	C3	179.6°	179.7°
C1	N1	C2	C5	83.0°	68.0°
C1	N1	C2	C9	95.1°	112.5°
C1	N1	C3	C4	176.4°	5.4°
C1	N1	C3	O1	1.7°	174.6°
N1	C1	C16	C17	179.3°	180.0°
N1	C1	C19	N2	178.9°	179.7°
N1	C1	C16	H11	0.7°	0.1°
N1	C1	C19	H13	1.0°	0.0°
C16	C1	N1	C2	60.9°	111.8°
C16	C1	N1	C3	118.7°	68.5°
C1	C16	C17	H11	180.0°	179.9°
C1	C16	C17	C18	0.5°	0.0°
C1	C16	C17	CL2	179.8°	179.7°
C16	C1	C19	N2	0.7°	0.7°
C16	C1	C19	H13	179.3°	179.6°
C19	C1	N1	C2	119.5°	68.6°
C19	C1	N1	C3	60.9°	111.1°
C19	C1	C16	C17	0.3°	0.4°
C1	C19	N2	C18	0.2°	0.5°
C1	C19	N2	H13	180.0°	179.8°
C19	C1	C16	H11	179.7°	179.5°
N1	C2	C5	C9	178.2°	179.5°
C2	N1	C3	C4	4.0°	174.9°
C2	N1	C3	O1	178.7°	5.1°
N1	C2	C5	C6	178.8°	180.0°
N1	C2	C9	C8	179.1°	180.0°
N1	C2	C5	H3	1.2°	0.1°
N1	C2	C9	H6	0.9°	0.2°
C3	N1	C2	C5	97.4°	112.3°
C3	N1	C2	C9	84.5°	67.2°
N1	C3	C4	O1	175.0°	180.0°
N1	C3	C4	F1	48.9°	178.7°
N1	C3	C4	H1	169.8°	61.3°
N1	C3	C4	H2	72.0°	58.7°
C2	C5	C6	H3	180.0°	179.8°
C2	C5	C6	C7	0.1°	0.3°
C2	C5	C6	C10	179.3°	179.8°
C5	C2	C9	C8	0.9°	0.5°
C5	C2	C9	H6	179.1°	179.7°
C9	C2	C5	C6	0.6°	0.5°
C2	C9	C8	C7	0.4°	0.3°
C2	C9	C8	H6	180.0°	179.8°
C9	C2	C5	H3	179.4°	179.7°
C2	C9	C8	H5	179.5°	179.7°
C3	C4	F1	H1	120.9°	120.1°
C3	C4	F1	H2	120.9°	119.9°
C3	C4	H1	H2	117.2°	120.0°
O1	C3	C4	F1	136.1°	1.3°
O1	C3	C4	H1	15.2°	118.7°
O1	C3	C4	H2	103.0°	121.3°
F1	C4	H1	H2	117.3°	120.0°
C5	C6	C7	C10	179.3°	179.9°
C5	C6	C7	C8	0.5°	0.0°
C5	C6	C10	C11	36.4°	180.0°
C5	C6	C10	C15	144.2°	0.3°
C5	C6	C7	H4	179.5°	180.0°
C6	C7	C8	H4	180.0°	180.0°
C6	C7	C8	C9	0.2°	0.0°
C7	C6	C10	C11	142.9°	0.0°
C7	C6	C10	C15	36.5°	179.8°
C7	C6	C5	H3	179.9°	179.9°
C6	C7	C8	H5	179.8°	180.0°
C10	C6	C7	C8	179.8°	180.0°
C6	C10	C11	C15	179.4°	179.8°
C6	C10	C11	C12	179.7°	180.0°
C6	C10	C15	C14	179.9°	180.0°
C10	C6	C5	H3	0.6°	0.0°
C10	C6	C7	H4	0.2°	0.0°
C6	C10	C15	H10	0.1°	0.0°
C6	C10	C11	H7	0.3°	0.0°
C7	C8	C9	H5	180.0°	180.0°
C7	C8	C9	H6	179.5°	180.0°
C9	C8	C7	H4	179.7°	180.0°
C10	C11	C12	H7	180.0°	179.9°
C10	C11	C12	C13	0.3°	0.0°
C10	C11	C12	CL1	179.8°	180.0°
C11	C10	C15	C14	0.5°	0.2°
C11	C10	C15	H10	179.5°	179.7°
C15	C10	C11	C12	0.3°	0.2°
C10	C15	C14	C13	0.2°	0.1°
C10	C15	C14	H10	180.0°	179.9°
C15	C10	C11	H7	179.7°	179.7°
C10	C15	C14	H9	179.8°	179.8°
C11	C12	C13	CL1	179.5°	179.9°
C11	C12	C13	C14	0.6°	0.3°
C11	C12	C13	H8	179.4°	180.0°
C12	C13	C14	H8	180.0°	179.7°
C12	C13	C14	C15	0.3°	0.3°
C13	C12	C11	H7	179.7°	180.0°
C12	C13	C14	H9	179.7°	180.0°
CL1	C12	C13	C14	179.9°	179.8°
CL1	C12	C13	H8	0.1°	0.1°
CL1	C12	C11	H7	0.3°	0.1°
C13	C14	C15	H9	180.0°	179.7°
C13	C14	C15	H10	179.8°	180.0°
C15	C14	C13	H8	179.6°	180.0°
C16	C17	C18	CL2	179.7°	179.7°
C16	C17	C18	N2	1.1°	0.2°
C16	C17	C18	H12	178.9°	179.7°
C17	C18	N2	H12	180.0°	179.9°
C17	C18	N2	C19	0.7°	0.0°
C18	C17	C16	H11	179.5°	180.0°
CL2	C17	C18	N2	179.2°	179.9°
CL2	C17	C16	H11	0.2°	0.3°
CL2	C17	C18	H12	0.8°	0.0°
C18	N2	C19	H13	179.8°	179.8°
C19	N2	C18	H12	179.3°	179.9°
H4	C7	C8	H5	0.2°	0.0°
H5	C8	C9	H6	0.5°	0.1°
H8	C13	C14	H9	0.3°	0.3°
H10	C15	C14	H9	0.2°	0.3°

Release date:	2025-05-14
Definition date:	2024-05-15
Last modified:	2025-05-09
Release status:	REL
Processing site:	RCSB
Derived from:	9BSI