A1CRZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C21	C20	sing	1.39Å	1.41Å	Aromatic
C21	C22	doub	1.36Å	1.39Å	Aromatic
C20	C19	doub	1.36Å	1.37Å	Aromatic
C22	C17	sing	1.41Å	1.38Å	Aromatic
C19	C16	sing	1.40Å	1.37Å	Aromatic
C17	C16	doub	1.42Å	1.41Å	Aromatic
C17	C18	sing	1.40Å	1.35Å	Aromatic
C16	C15	sing	1.41Å	1.37Å	Aromatic
C18	C13	doub	1.38Å	1.37Å	Aromatic
C15	C14	doub	1.36Å	1.39Å	Aromatic
C13	C14	sing	1.41Å	1.40Å	Aromatic
C13	C3	sing	1.48Å	1.47Å
N2	C3	doub	1.33Å	1.35Å	Aromatic
N2	N1	sing	1.28Å	1.38Å	Aromatic
C3	C4	sing	1.41Å	1.41Å	Aromatic
C12	C11	doub	1.38Å	1.39Å	Aromatic
C12	C7	sing	1.40Å	1.42Å	Aromatic
C11	N10	sing	1.32Å	1.35Å	Aromatic
N1	C6	doub	1.32Å	1.33Å	Aromatic
C4	C7	sing	1.48Å	1.52Å
C4	C5	doub	1.40Å	1.38Å	Aromatic
C7	C8	doub	1.40Å	1.39Å	Aromatic
C6	C5	sing	1.39Å	1.37Å	Aromatic
C6	CL23	sing	1.74Å	1.79Å
N10	C9	doub	1.32Å	1.35Å	Aromatic
C8	C9	sing	1.38Å	1.41Å	Aromatic
C5	H1	sing	1.08Å	1.08Å
C12	H2	sing	1.08Å	1.08Å
C11	H3	sing	1.08Å	1.08Å
C9	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.08Å	1.08Å
C18	H6	sing	1.08Å	1.08Å
C22	H7	sing	1.08Å	1.08Å
C21	H8	sing	1.08Å	1.08Å
C20	H9	sing	1.08Å	1.08Å
C19	H10	sing	1.08Å	1.08Å
C15	H11	sing	1.08Å	1.08Å
C14	H12	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C20	C21	C22	120.3°	121.0°
C21	C20	C19	120.1°	121.0°
C20	C21	H8	119.8°	119.5°
C21	C20	H9	119.9°	119.5°
C21	C22	C17	118.7°	119.7°
C21	C22	H7	120.6°	120.2°
C22	C21	H8	119.8°	119.6°
C20	C19	C16	120.2°	119.8°
C19	C20	H9	119.9°	119.5°
C20	C19	H10	119.9°	120.1°
C22	C17	C16	120.7°	119.4°
C22	C17	C18	118.7°	121.1°
C17	C22	H7	120.7°	120.1°
C19	C16	C17	119.8°	119.3°
C19	C16	C15	118.8°	121.1°
C16	C19	H10	119.9°	120.1°
C16	C17	C18	120.6°	119.5°
C17	C16	C15	121.4°	119.6°
C17	C18	C13	118.5°	119.4°
C17	C18	H6	120.7°	120.3°
C16	C15	C14	117.9°	120.0°
C16	C15	H11	121.1°	120.0°
C18	C13	C14	121.7°	120.6°
C18	C13	C3	118.7°	119.7°
C13	C18	H6	120.8°	120.3°
C15	C14	C13	119.7°	120.8°
C14	C15	H11	121.0°	120.0°
C15	C14	H12	120.2°	119.6°
C14	C13	C3	119.5°	119.7°
C13	C14	H12	120.1°	119.6°
C13	C3	N2	116.1°	120.2°
C13	C3	C4	123.5°	120.3°
C3	N2	N1	118.4°	122.2°
N2	C3	C4	120.4°	119.5°
N2	N1	C6	123.1°	122.6°
C3	C4	C7	126.8°	121.2°
C3	C4	C5	118.5°	117.6°
C11	C12	C7	119.5°	119.0°
C12	C11	N10	119.3°	120.9°
C11	C12	H2	120.2°	120.5°
C12	C11	H3	120.3°	119.5°
C12	C7	C4	117.2°	120.9°
C12	C7	C8	119.5°	118.3°
C7	C12	H2	120.2°	120.6°
C11	N10	C9	122.7°	122.0°
N10	C11	H3	120.3°	119.6°
N1	C6	C5	119.4°	120.2°
N1	C6	CL23	120.1°	119.9°
C7	C4	C5	114.3°	121.2°
C4	C7	C8	122.4°	120.9°
C4	C5	C6	120.1°	117.9°
C4	C5	H1	119.9°	121.0°
C7	C8	C9	118.3°	119.0°
C7	C8	H5	120.8°	120.5°
C5	C6	CL23	120.5°	119.9°
C6	C5	H1	119.9°	121.0°
N10	C9	C8	120.2°	120.9°
N10	C9	H4	119.9°	119.6°
C8	C9	H4	119.9°	119.6°
C9	C8	H5	120.8°	120.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C20	C21	C22	H8	180.0°	179.9°
C21	C20	C19	H9	180.0°	179.9°
C20	C21	C22	C17	3.3°	0.0°
C21	C20	C19	C16	0.0°	0.1°
C20	C21	C22	H7	176.8°	180.0°
C21	C20	C19	H10	180.0°	179.9°
C22	C21	C20	C19	2.0°	0.0°
C21	C22	C17	H7	180.0°	179.9°
C21	C22	C17	C16	2.6°	0.0°
C21	C22	C17	C18	177.7°	179.9°
C22	C21	C20	H9	178.0°	179.9°
C20	C19	C16	H10	180.0°	180.0°
C20	C19	C16	C17	0.7°	0.1°
C20	C19	C16	C15	178.9°	180.0°
C19	C20	C21	H8	178.0°	179.9°
C22	C17	C16	C19	0.6°	0.0°
C22	C17	C16	C18	179.7°	180.0°
C22	C17	C16	C15	177.5°	180.0°
C22	C17	C18	C13	174.3°	180.0°
C22	C17	C18	H6	5.7°	0.0°
C17	C22	C21	H8	176.8°	180.0°
C19	C16	C17	C15	178.1°	179.9°
C19	C16	C17	C18	179.6°	180.0°
C19	C16	C15	C14	178.1°	180.0°
C16	C19	C20	H9	180.0°	180.0°
C19	C16	C15	H11	1.9°	0.1°
C16	C17	C18	C13	5.4°	0.0°
C17	C16	C15	C14	0.1°	0.0°
C16	C17	C18	H6	174.6°	180.0°
C16	C17	C22	H7	177.5°	180.0°
C17	C16	C19	H10	179.3°	179.9°
C17	C16	C15	H11	179.9°	180.0°
C18	C17	C16	C15	2.2°	0.0°
C17	C18	C13	H6	180.0°	180.0°
C17	C18	C13	C14	6.5°	0.0°
C17	C18	C13	C3	178.4°	179.8°
C18	C17	C22	H7	2.3°	0.0°
C16	C15	C14	H11	180.0°	180.0°
C16	C15	C14	C13	0.9°	0.0°
C15	C16	C19	H10	1.1°	0.1°
C16	C15	C14	H12	179.1°	179.7°
C18	C13	C14	C15	4.3°	0.0°
C18	C13	C14	C3	175.1°	179.8°
C18	C13	C3	N2	46.8°	35.1°
C18	C13	C3	C4	132.3°	145.3°
C18	C13	C14	H12	175.7°	179.8°
C15	C14	C13	H12	180.0°	179.8°
C15	C14	C13	C3	179.4°	179.8°
C14	C13	C3	N2	128.4°	144.7°
C14	C13	C3	C4	52.5°	35.0°
C14	C13	C18	H6	173.5°	180.0°
C13	C14	C15	H11	179.1°	180.0°
C13	C3	N2	C4	179.1°	179.7°
C13	C3	N2	N1	177.7°	179.7°
C13	C3	C4	C7	6.8°	0.3°
C13	C3	C4	C5	179.6°	179.7°
C3	C13	C18	H6	1.7°	0.2°
C3	C13	C14	H12	0.6°	0.0°
C3	N2	N1	C6	3.5°	0.1°
N2	C3	C4	C7	172.3°	180.0°
N2	C3	C4	C5	0.5°	0.0°
N1	N2	C3	C4	3.2°	0.1°
N2	N1	C6	C5	0.9°	0.1°
N2	N1	C6	CL23	178.2°	180.0°
C3	C4	C7	C12	42.0°	49.8°
C3	C4	C7	C5	173.0°	180.0°
C3	C4	C7	C8	149.2°	130.0°
C3	C4	C5	C6	2.1°	0.0°
C3	C4	C5	H1	177.8°	180.0°
C11	C12	C7	H2	180.0°	180.0°
C12	C11	N10	H3	180.0°	180.0°
C11	C12	C7	C4	176.1°	180.0°
C11	C12	C7	C8	6.9°	0.2°
C12	C11	N10	C9	0.4°	0.0°
C7	C12	C11	N10	3.4°	0.0°
C12	C7	C4	C8	168.8°	179.8°
C12	C7	C4	C5	131.1°	130.3°
C12	C7	C8	C9	6.5°	0.5°
C7	C12	C11	H3	176.6°	180.0°
C12	C7	C8	H5	173.5°	179.7°
C11	N10	C9	C8	0.7°	0.3°
N10	C11	C12	H2	176.5°	180.0°
C11	N10	C9	H4	179.3°	180.0°
N1	C6	C5	C4	1.9°	0.1°
N1	C6	C5	CL23	179.1°	179.9°
N1	C6	C5	H1	178.0°	180.0°
C7	C4	C5	C6	175.8°	180.0°
C4	C7	C8	C9	175.1°	179.7°
C7	C4	C5	H1	4.2°	0.0°
C4	C7	C12	H2	3.9°	0.0°
C4	C7	C8	H5	4.9°	0.0°
C5	C4	C7	C8	37.8°	50.0°
C4	C5	C6	H1	180.0°	180.0°
C4	C5	C6	CL23	178.9°	180.0°
C7	C8	C9	N10	2.8°	0.6°
C7	C8	C9	H5	180.0°	179.8°
C8	C7	C12	H2	173.1°	179.8°
C7	C8	C9	H4	177.2°	179.7°
CL23	C6	C5	H1	1.1°	0.0°
N10	C9	C8	H4	180.0°	179.7°
C9	N10	C11	H3	179.6°	180.0°
N10	C9	C8	H5	177.2°	179.7°
H2	C12	C11	H3	3.5°	0.0°
H4	C9	C8	H5	2.8°	0.1°
H7	C22	C21	H8	3.2°	0.1°
H8	C21	C20	H9	2.0°	0.0°
H9	C20	C19	H10	0.0°	0.0°
H11	C15	C14	H12	1.0°	0.2°

Release date:	2025-09-17
Definition date:	2025-09-02
Last modified:	2025-09-12
Release status:	REL
Processing site:	RCSB
Derived from:	9Q5B