A1BZA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F3	C2	sing	1.40Å	1.39Å
C2	F1	sing	1.40Å	1.39Å
C2	C5	sing	1.51Å	1.51Å
C2	F4	sing	1.40Å	1.39Å
C5	C20	doub	1.38Å	1.39Å	Aromatic
C5	C6	sing	1.38Å	1.39Å	Aromatic
C12	C13	doub	1.38Å	1.39Å	Aromatic
C12	C11	sing	1.40Å	1.41Å	Aromatic
C20	C19	sing	1.40Å	1.40Å	Aromatic
C6	C7	doub	1.39Å	1.39Å	Aromatic
C13	C14	sing	1.38Å	1.39Å	Aromatic
C19	C21	sing	1.48Å	1.48Å
C19	C18	doub	1.39Å	1.40Å	Aromatic
O25	C21	sing	1.35Å	1.35Å	Aromatic
O25	C24	sing	1.34Å	1.34Å	Aromatic
O10	C9	doub	1.22Å	1.22Å
C21	C22	doub	1.36Å	1.36Å	Aromatic
C7	C18	sing	1.39Å	1.39Å	Aromatic
C7	N8	sing	1.40Å	1.41Å
C24	N23	doub	1.30Å	1.30Å	Aromatic
C9	N8	sing	1.35Å	1.36Å
C9	C11	sing	1.48Å	1.48Å
C22	N23	sing	1.34Å	1.35Å	Aromatic
C11	C17	doub	1.40Å	1.39Å	Aromatic
C14	C15	doub	1.38Å	1.39Å	Aromatic
C17	C15	sing	1.38Å	1.38Å	Aromatic
C15	CL1	sing	1.74Å	1.73Å
C6	H1	sing	1.08Å	1.08Å
C13	H2	sing	1.08Å	1.08Å
C17	H3	sing	1.08Å	1.08Å
C20	H4	sing	1.08Å	1.08Å
C22	H5	sing	1.08Å	1.08Å
C24	H6	sing	1.08Å	1.08Å
N8	H7	sing	0.97Å	1.00Å
C12	H8	sing	1.08Å	1.08Å
C14	H9	sing	1.08Å	1.08Å
C18	H10	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F3	C2	F1	107.9°	109.5°
F3	C2	C5	108.2°	109.5°
F3	C2	F4	109.6°	109.5°
F1	C2	C5	111.8°	109.4°
F1	C2	F4	107.3°	109.5°
C5	C2	F4	111.9°	109.4°
C2	C5	C20	120.1°	119.9°
C2	C5	C6	120.1°	119.9°
C20	C5	C6	119.8°	120.2°
C5	C20	C19	120.5°	120.0°
C5	C20	H4	119.7°	120.0°
C5	C6	C7	120.6°	120.2°
C5	C6	H1	119.7°	119.9°
C13	C12	C11	119.5°	119.9°
C12	C13	C14	120.0°	120.1°
C12	C13	H2	120.0°	119.9°
C13	C12	H8	120.3°	120.0°
C12	C11	C9	120.9°	120.1°
C12	C11	C17	120.2°	119.7°
C11	C12	H8	120.2°	120.1°
C20	C19	C21	117.5°	120.1°
C20	C19	C18	119.2°	119.8°
C19	C20	H4	119.8°	120.0°
C6	C7	C18	119.7°	120.0°
C6	C7	N8	121.4°	120.0°
C7	C6	H1	119.7°	119.9°
C13	C14	C15	120.1°	120.3°
C14	C13	H2	120.0°	119.9°
C13	C14	H9	120.0°	119.8°
C21	C19	C18	123.3°	120.1°
C19	C21	O25	123.7°	126.6°
C19	C21	C22	129.6°	126.6°
C19	C18	C7	120.2°	119.8°
C19	C18	H10	119.9°	120.1°
C21	O25	C24	108.2°	107.7°
O25	C21	C22	106.6°	106.8°
O25	C24	N23	108.9°	109.0°
O25	C24	H6	125.6°	125.5°
O10	C9	N8	123.8°	120.0°
O10	C9	C11	118.6°	120.0°
C21	C22	N23	107.4°	107.5°
C21	C22	H5	126.3°	126.2°
C18	C7	N8	118.8°	120.0°
C7	C18	H10	119.9°	120.1°
C7	N8	C9	126.4°	120.0°
C7	N8	H7	116.8°	120.0°
C24	N23	C22	108.9°	109.0°
N23	C24	H6	125.6°	125.5°
N8	C9	C11	117.6°	120.0°
C9	N8	H7	116.8°	120.0°
C9	C11	C17	119.0°	120.2°
N23	C22	H5	126.3°	126.3°
C11	C17	C15	119.6°	119.9°
C11	C17	H3	120.2°	120.1°
C14	C15	C17	120.7°	120.1°
C14	C15	CL1	122.2°	119.9°
C15	C14	H9	120.0°	119.9°
C17	C15	CL1	117.2°	120.0°
C15	C17	H3	120.2°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F3	C2	F1	C5	118.9°	120.0°
F3	C2	F1	F4	118.0°	120.0°
F3	C2	C5	F4	120.8°	120.0°
F3	C2	C5	C20	105.3°	150.0°
F3	C2	C5	C6	74.2°	30.3°
F1	C2	C5	F4	120.4°	120.0°
F1	C2	C5	C20	13.5°	90.0°
F1	C2	C5	C6	167.1°	89.8°
C2	C5	C20	C6	179.5°	179.7°
C2	C5	C20	C19	179.5°	179.7°
C2	C5	C6	C7	179.9°	179.7°
C2	C5	C6	H1	0.1°	0.3°
C2	C5	C20	H4	0.4°	0.3°
F4	C2	C5	C20	133.9°	30.0°
F4	C2	C5	C6	46.6°	150.3°
C5	C20	C19	H4	180.0°	180.0°
C20	C5	C6	C7	0.4°	0.0°
C5	C20	C19	C21	180.0°	180.0°
C5	C20	C19	C18	0.2°	0.0°
C20	C5	C6	H1	179.6°	180.0°
C6	C5	C20	C19	0.1°	0.0°
C5	C6	C7	H1	180.0°	180.0°
C5	C6	C7	C18	0.9°	0.0°
C5	C6	C7	N8	178.8°	180.0°
C6	C5	C20	H4	179.9°	180.0°
C13	C12	C11	H8	180.0°	179.9°
C12	C13	C14	H2	180.0°	179.8°
C13	C12	C11	C9	179.9°	179.7°
C13	C12	C11	C17	0.5°	0.5°
C12	C13	C14	C15	0.0°	0.2°
C12	C13	C14	H9	180.0°	179.7°
C11	C12	C13	C14	0.2°	0.0°
C12	C11	C9	O10	45.4°	179.2°
C12	C11	C9	N8	135.3°	0.8°
C12	C11	C9	C17	179.4°	179.2°
C12	C11	C17	C15	0.5°	0.8°
C11	C12	C13	H2	179.8°	179.7°
C12	C11	C17	H3	179.5°	179.8°
C20	C19	C21	C18	179.8°	179.9°
C20	C19	C21	O25	6.2°	0.3°
C20	C19	C21	C22	174.0°	180.0°
C20	C19	C18	C7	0.6°	0.0°
C20	C19	C18	H10	179.4°	180.0°
C6	C7	C18	C19	1.0°	0.0°
C6	C7	C18	N8	178.0°	180.0°
C6	C7	N8	C9	2.3°	144.8°
C6	C7	N8	H7	177.7°	35.0°
C6	C7	C18	H10	179.0°	180.0°
C13	C14	C15	H9	180.0°	179.9°
C13	C14	C15	C17	0.0°	0.1°
C13	C14	C15	CL1	179.7°	180.0°
C14	C13	C12	H8	179.7°	179.9°
C19	C21	O25	C22	179.9°	179.7°
C19	C21	O25	C24	179.9°	179.9°
C21	C19	C18	C7	179.6°	180.0°
C19	C21	C22	N23	179.8°	180.0°
C21	C19	C20	H4	0.0°	0.0°
C19	C21	C22	H5	0.2°	0.0°
C21	C19	C18	H10	0.4°	0.0°
C18	C19	C21	O25	174.0°	179.6°
C18	C19	C21	C22	5.9°	0.0°
C19	C18	C7	H10	180.0°	180.0°
C19	C18	C7	N8	178.9°	180.0°
C18	C19	C20	H4	179.8°	180.0°
C21	O25	C24	N23	0.3°	0.4°
O25	C21	C22	N23	0.4°	0.2°
O25	C21	C22	H5	179.7°	179.7°
C21	O25	C24	H6	179.8°	179.9°
C24	O25	C21	C22	0.1°	0.4°
O25	C24	N23	H6	180.0°	179.7°
O25	C24	N23	C22	0.5°	0.2°
O10	C9	N8	C7	2.6°	4.7°
O10	C9	N8	C11	179.2°	180.0°
O10	C9	C11	C17	135.2°	0.0°
O10	C9	N8	H7	177.4°	175.4°
C21	C22	N23	C24	0.5°	0.0°
C21	C22	N23	H5	180.0°	179.9°
C18	C7	N8	C9	179.8°	35.2°
C18	C7	C6	H1	179.1°	180.0°
C18	C7	N8	H7	0.2°	144.9°
C7	N8	C9	H7	180.0°	179.9°
C7	N8	C9	C11	178.2°	175.3°
N8	C7	C6	H1	1.2°	0.0°
N8	C7	C18	H10	1.1°	0.0°
C24	N23	C22	H5	179.5°	179.9°
N8	C9	C11	C17	44.1°	180.0°
C9	C11	C17	C15	179.9°	180.0°
C9	C11	C17	H3	0.1°	0.5°
C11	C9	N8	H7	1.8°	4.5°
C9	C11	C12	H8	0.1°	0.2°
C22	N23	C24	H6	179.5°	179.9°
C11	C17	C15	C14	0.2°	0.5°
C11	C17	C15	H3	180.0°	179.4°
C11	C17	C15	CL1	179.5°	179.5°
C17	C11	C12	H8	179.5°	179.4°
C14	C15	C17	CL1	179.7°	179.9°
C15	C14	C13	H2	180.0°	180.0°
C14	C15	C17	H3	179.8°	180.0°
C17	C15	C14	H9	180.0°	180.0°
CL1	C15	C17	H3	0.5°	0.1°
CL1	C15	C14	H9	0.3°	0.1°
H2	C13	C12	H8	0.2°	0.3°
H2	C13	C14	H9	0.0°	0.0°

Release date:	2025-04-23
Definition date:	2025-03-06
Last modified:	2025-04-18
Release status:	REL
Processing site:	RCSB
Derived from:	9NNM