A1BIN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F1	C1	sing	1.35Å	1.35Å
C1	C2	sing	1.40Å	1.38Å	Aromatic
C2	C3	doub	1.36Å	1.37Å	Aromatic
C1	C4	doub	1.35Å	1.37Å	Aromatic
C4	N1	sing	1.37Å	1.37Å	Aromatic
N1	C5	sing	1.37Å	1.37Å	Aromatic
C5	C6	doub	1.40Å	1.40Å	Aromatic
C6	C7	sing	1.48Å	1.48Å
C7	C8	doub	1.40Å	1.39Å	Aromatic
C8	C9	sing	1.38Å	1.38Å	Aromatic
C9	N2	doub	1.32Å	1.33Å	Aromatic
N2	C10	sing	1.32Å	1.33Å	Aromatic
C10	C11	doub	1.38Å	1.38Å	Aromatic
C6	C12	sing	1.41Å	1.40Å	Aromatic
C12	C13	sing	1.48Å	1.48Å
C13	C14	doub	1.39Å	1.40Å	Aromatic
C14	C15	sing	1.38Å	1.38Å	Aromatic
C15	C16	doub	1.39Å	1.37Å	Aromatic
C16	F2	sing	1.35Å	1.36Å
C16	C17	sing	1.38Å	1.37Å	Aromatic
C17	C18	doub	1.38Å	1.38Å	Aromatic
C12	N3	doub	1.32Å	1.35Å	Aromatic
C3	C5	sing	1.40Å	1.41Å	Aromatic
N1	N3	sing	1.40Å	1.36Å	Aromatic
C7	C11	sing	1.40Å	1.39Å	Aromatic
C13	C18	sing	1.39Å	1.40Å	Aromatic
C4	H3	sing	1.08Å	1.08Å
C14	H8	sing	1.08Å	1.08Å
C11	H7	sing	1.08Å	1.08Å
C8	H4	sing	1.08Å	1.08Å
C9	H5	sing	1.08Å	1.08Å
C10	H6	sing	1.08Å	1.08Å
C3	H2	sing	1.08Å	1.08Å
C15	H9	sing	1.08Å	1.08Å
C17	H10	sing	1.08Å	1.08Å
C18	H11	sing	1.08Å	1.08Å
C2	H1	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F1	C1	C2	119.4°	119.8°
F1	C1	C4	119.9°	119.8°
C1	C2	C3	120.4°	119.5°
C2	C1	C4	120.8°	120.4°
C1	C2	H1	119.8°	120.3°
C2	C3	C5	119.6°	119.3°
C2	C3	H2	120.2°	120.4°
C3	C2	H1	119.8°	120.3°
C1	C4	N1	118.7°	120.7°
C1	C4	H3	120.7°	119.7°
C4	N1	C5	122.4°	120.0°
C4	N1	N3	126.0°	132.0°
N1	C4	H3	120.7°	119.6°
N1	C5	C6	105.5°	107.1°
N1	C5	C3	118.1°	120.2°
C5	N1	N3	111.6°	108.0°
C5	C6	C7	124.4°	126.5°
C5	C6	C12	106.5°	107.1°
C6	C5	C3	136.4°	132.7°
C6	C7	C8	121.1°	120.9°
C7	C6	C12	129.2°	126.5°
C6	C7	C11	120.9°	120.9°
C7	C8	C9	118.7°	119.0°
C8	C7	C11	118.0°	118.2°
C7	C8	H4	120.6°	120.5°
C8	C9	N2	124.0°	120.9°
C9	C8	H4	120.7°	120.5°
C8	C9	H5	118.0°	119.5°
C9	N2	C10	116.8°	122.1°
N2	C9	H5	118.0°	119.6°
N2	C10	C11	123.9°	120.9°
N2	C10	H6	118.1°	119.6°
C10	C11	C7	118.7°	118.9°
C10	C11	H7	120.6°	120.5°
C11	C10	H6	118.1°	119.5°
C6	C12	C13	132.4°	125.7°
C6	C12	N3	110.2°	108.5°
C12	C13	C14	120.9°	120.1°
C13	C12	N3	117.3°	125.7°
C12	C13	C18	120.8°	120.1°
C13	C14	C15	121.0°	119.9°
C14	C13	C18	118.2°	119.8°
C13	C14	H8	119.5°	120.0°
C14	C15	C16	118.4°	120.1°
C15	C14	H8	119.5°	120.1°
C14	C15	H9	120.8°	120.0°
C15	C16	F2	118.6°	119.9°
C15	C16	C17	123.0°	120.2°
C16	C15	H9	120.8°	119.9°
F2	C16	C17	118.4°	119.9°
C16	C17	C18	118.4°	120.1°
C16	C17	H10	120.8°	120.0°
C17	C18	C13	121.1°	119.9°
C18	C17	H10	120.8°	119.9°
C17	C18	H11	119.4°	120.1°
C12	N3	N1	106.2°	109.3°
C5	C3	H2	120.2°	120.3°
C7	C11	H7	120.7°	120.5°
C13	C18	H11	119.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F1	C1	C2	C4	180.0°	180.0°
F1	C1	C2	C3	180.0°	180.0°
F1	C1	C4	N1	180.0°	179.9°
F1	C1	C4	H3	0.0°	0.3°
F1	C1	C2	H1	0.0°	0.0°
C1	C2	C3	H1	180.0°	180.0°
C2	C1	C4	N1	0.1°	0.0°
C1	C2	C3	C5	0.4°	0.3°
C2	C1	C4	H3	179.9°	179.7°
C1	C2	C3	H2	179.6°	179.6°
C3	C2	C1	C4	0.0°	0.0°
C2	C3	C5	N1	0.7°	0.6°
C2	C3	C5	C6	179.2°	179.8°
C2	C3	C5	H2	180.0°	179.9°
C1	C4	N1	H3	180.0°	179.7°
C1	C4	N1	C5	0.3°	0.3°
C1	C4	N1	N3	179.8°	179.8°
C4	C1	C2	H1	180.0°	180.0°
C4	N1	C5	N3	179.9°	179.9°
C4	N1	C5	C6	179.7°	180.0°
C4	N1	N3	C12	179.2°	179.9°
C4	N1	C5	C3	0.7°	0.6°
N1	C5	C6	C3	178.7°	179.3°
N1	C5	C6	C7	179.9°	180.0°
N1	C5	C6	C12	0.2°	0.1°
C5	N1	N3	C12	1.0°	0.0°
C5	N1	C4	H3	179.7°	180.0°
N1	C5	C3	H2	179.3°	179.3°
C5	C6	C7	C12	179.7°	179.9°
C5	C6	C7	C8	37.3°	115.0°
C5	C6	C12	C13	177.7°	180.0°
C5	C6	C12	N3	0.8°	0.1°
C6	C5	N1	N3	0.5°	0.1°
C5	C6	C7	C11	140.1°	65.0°
C6	C5	C3	H2	0.7°	0.1°
C6	C7	C8	C11	177.4°	180.0°
C6	C7	C8	C9	179.3°	179.9°
C6	C7	C11	C10	179.1°	179.8°
C7	C6	C12	C13	2.6°	0.1°
C7	C6	C12	N3	179.5°	180.0°
C7	C6	C5	C3	1.3°	0.7°
C6	C7	C11	H7	0.9°	0.1°
C6	C7	C8	H4	0.8°	0.1°
C7	C8	C9	H4	180.0°	179.9°
C7	C8	C9	N2	1.0°	0.1°
C8	C7	C11	C10	1.7°	0.2°
C8	C7	C6	C12	143.0°	64.9°
C8	C7	C11	H7	178.3°	179.9°
C7	C8	C9	H5	179.0°	180.0°
C8	C9	N2	H5	180.0°	179.9°
C8	C9	N2	C10	0.0°	0.2°
C9	C8	C7	C11	1.9°	0.1°
C9	N2	C10	C11	0.2°	0.5°
N2	C9	C8	H4	179.0°	179.9°
C9	N2	C10	H6	179.8°	179.7°
N2	C10	C11	H6	180.0°	179.8°
N2	C10	C11	C7	0.7°	0.5°
N2	C10	C11	H7	179.3°	179.8°
C10	N2	C9	H5	180.0°	179.7°
C10	C11	C7	H7	180.0°	179.7°
C6	C12	C13	N3	176.7°	179.9°
C6	C12	C13	C14	144.5°	145.0°
C12	C6	C5	C3	178.5°	179.4°
C6	C12	N3	N1	1.0°	0.0°
C12	C6	C7	C11	39.7°	115.1°
C6	C12	C13	C18	38.9°	34.9°
C12	C13	C14	C18	176.7°	179.9°
C12	C13	C14	C15	179.1°	180.0°
C12	C13	C18	C17	178.7°	179.5°
C13	C12	N3	N1	178.5°	180.0°
C12	C13	C14	H8	0.9°	0.2°
C12	C13	C18	H11	1.3°	0.0°
C13	C14	C15	H8	180.0°	179.8°
C13	C14	C15	C16	1.4°	0.2°
C14	C13	C18	C17	2.0°	0.6°
C14	C13	C12	N3	38.8°	35.1°
C13	C14	C15	H9	178.6°	179.8°
C14	C13	C18	H11	178.0°	180.0°
C14	C15	C16	H9	180.0°	180.0°
C14	C15	C16	F2	179.7°	180.0°
C14	C15	C16	C17	0.1°	0.1°
C15	C14	C13	C18	2.4°	0.0°
C15	C16	F2	C17	179.7°	180.0°
C15	C16	C17	C18	0.5°	0.6°
C16	C15	C14	H8	178.6°	180.0°
C15	C16	C17	H10	179.5°	180.0°
F2	C16	C17	C18	179.9°	179.4°
F2	C16	C15	H9	0.3°	0.0°
F2	C16	C17	H10	0.1°	0.0°
C16	C17	C18	H10	180.0°	179.4°
C16	C17	C18	C13	0.6°	0.9°
C17	C16	C15	H9	179.9°	180.0°
C16	C17	C18	H11	179.4°	179.7°
C17	C18	C13	H11	180.0°	179.4°
N3	C12	C13	C18	137.8°	145.0°
C3	C5	N1	N3	179.4°	179.5°
C5	C3	C2	H1	179.7°	179.8°
N3	N1	C4	H3	0.1°	0.1°
C11	C7	C8	H4	178.2°	179.9°
C7	C11	C10	H6	179.2°	179.7°
C18	C13	C14	H8	177.6°	179.7°
C13	C18	C17	H10	179.4°	179.8°
H8	C14	C15	H9	1.4°	0.0°
H7	C11	C10	H6	0.7°	0.0°
H4	C8	C9	H5	1.0°	0.2°
H2	C3	C2	H1	0.4°	0.4°
H10	C17	C18	H11	0.6°	0.3°

Release date:	2025-01-08
Definition date:	2024-12-01
Last modified:	2025-01-03
Release status:	REL
Processing site:	RCSB
Derived from:	9EDY