A1CR0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O19	C18	sing	1.36Å	1.36Å
C17	C18	doub	1.39Å	1.39Å	Aromatic
C17	C16	sing	1.38Å	1.38Å	Aromatic
C18	C20	sing	1.39Å	1.39Å	Aromatic
C16	C15	doub	1.38Å	1.39Å	Aromatic
C11	C12	doub	1.39Å	1.38Å	Aromatic
C11	C10	sing	1.39Å	1.38Å	Aromatic
C12	C13	sing	1.38Å	1.38Å	Aromatic
C20	C21	doub	1.38Å	1.38Å	Aromatic
C10	C9	doub	1.38Å	1.39Å	Aromatic
C13	N14	doub	1.32Å	1.34Å	Aromatic
C15	C21	sing	1.38Å	1.39Å	Aromatic
C15	C8	sing	1.51Å	1.53Å
C9	N14	sing	1.32Å	1.34Å	Aromatic
C9	C8	sing	1.51Å	1.52Å
C8	C7	sing	1.51Å	1.53Å
C6	C7	doub	1.38Å	1.39Å	Aromatic
C6	C5	sing	1.38Å	1.38Å	Aromatic
C7	C4	sing	1.38Å	1.39Å	Aromatic
C5	C2	doub	1.39Å	1.39Å	Aromatic
C4	C3	doub	1.38Å	1.38Å	Aromatic
C2	C3	sing	1.39Å	1.39Å	Aromatic
C2	O1	sing	1.36Å	1.36Å
C10	H1	sing	1.08Å	1.08Å
C11	H2	sing	1.08Å	1.08Å
C12	H3	sing	1.08Å	1.08Å
C13	H4	sing	1.08Å	1.08Å
C16	H5	sing	1.08Å	1.08Å
C17	H6	sing	1.08Å	1.08Å
C20	H7	sing	1.08Å	1.08Å
C21	H8	sing	1.08Å	1.08Å
C3	H9	sing	1.08Å	1.08Å
C4	H10	sing	1.08Å	1.08Å
C5	H11	sing	1.08Å	1.08Å
C6	H12	sing	1.08Å	1.08Å
C8	H13	sing	1.09Å	1.10Å
O1	H14	sing	0.97Å	0.95Å
O19	H15	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O19	C18	C17	120.2°	120.1°
O19	C18	C20	120.2°	120.0°
C18	O19	H15	109.5°	114.0°
C18	C17	C16	119.9°	120.0°
C17	C18	C20	119.6°	119.8°
C18	C17	H6	120.0°	119.9°
C17	C16	C15	121.2°	120.1°
C17	C16	H5	119.4°	120.0°
C16	C17	H6	120.1°	120.1°
C18	C20	C21	119.9°	119.9°
C18	C20	H7	120.1°	120.0°
C16	C15	C21	118.3°	120.1°
C16	C15	C8	120.8°	120.0°
C15	C16	H5	119.4°	120.0°
C12	C11	C10	119.7°	118.4°
C11	C12	C13	118.0°	119.2°
C12	C11	H2	120.2°	120.8°
C11	C12	H3	121.0°	120.4°
C11	C10	C9	118.7°	119.2°
C11	C10	H1	120.7°	120.4°
C10	C11	H2	120.2°	120.8°
C12	C13	N14	123.7°	120.7°
C13	C12	H3	121.0°	120.4°
C12	C13	H4	118.2°	119.7°
C20	C21	C15	121.2°	120.1°
C21	C20	H7	120.1°	120.1°
C20	C21	H8	119.4°	120.0°
C10	C9	N14	122.4°	120.7°
C10	C9	C8	121.7°	119.6°
C9	C10	H1	120.6°	120.4°
C13	N14	C9	117.6°	121.8°
N14	C13	H4	118.2°	119.6°
C21	C15	C8	120.9°	119.9°
C15	C21	H8	119.4°	120.0°
C15	C8	C9	111.8°	109.5°
C15	C8	C7	112.6°	109.5°
C15	C8	H13	106.5°	109.5°
N14	C9	C8	115.9°	119.6°
C9	C8	C7	112.3°	109.4°
C9	C8	H13	106.6°	109.5°
C8	C7	C6	121.0°	120.0°
C8	C7	C4	120.7°	119.9°
C7	C8	H13	106.5°	109.5°
C7	C6	C5	121.1°	120.1°
C6	C7	C4	118.3°	120.1°
C7	C6	H12	119.5°	119.9°
C6	C5	C2	119.9°	119.9°
C6	C5	H11	120.1°	120.1°
C5	C6	H12	119.4°	120.0°
C7	C4	C3	121.2°	120.1°
C7	C4	H10	119.4°	120.0°
C5	C2	C3	119.7°	119.9°
C5	C2	O1	120.1°	120.0°
C2	C5	H11	120.1°	120.0°
C4	C3	C2	119.8°	119.9°
C4	C3	H9	120.1°	120.0°
C3	C4	H10	119.4°	120.0°
C3	C2	O1	120.2°	120.0°
C2	C3	H9	120.1°	120.0°
C2	O1	H14	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O19	C18	C17	C20	179.5°	180.0°
O19	C18	C17	C16	179.4°	180.0°
O19	C18	C20	C21	179.4°	180.0°
O19	C18	C17	H6	0.6°	0.0°
O19	C18	C20	H7	0.6°	0.1°
C18	C17	C16	H6	180.0°	180.0°
C18	C17	C16	C15	0.1°	0.0°
C17	C18	C20	C21	0.1°	0.0°
C18	C17	C16	H5	180.0°	180.0°
C17	C18	C20	H7	179.9°	179.9°
C17	C18	O19	H15	180.0°	90.0°
C16	C17	C18	C20	0.1°	0.0°
C17	C16	C15	H5	180.0°	180.0°
C17	C16	C15	C21	0.0°	0.1°
C17	C16	C15	C8	179.2°	179.7°
C18	C20	C21	H7	180.0°	179.9°
C18	C20	C21	C15	0.1°	0.1°
C20	C18	C17	H6	179.9°	180.0°
C18	C20	C21	H8	179.9°	179.7°
C20	C18	O19	H15	0.5°	90.0°
C16	C15	C21	C20	0.0°	0.1°
C16	C15	C21	C8	179.2°	179.8°
C16	C15	C8	C9	14.0°	56.2°
C16	C15	C8	C7	141.5°	63.8°
C15	C16	C17	H6	179.9°	180.0°
C16	C15	C21	H8	180.0°	179.8°
C16	C15	C8	H13	102.1°	176.2°
C12	C11	C10	H2	180.0°	179.9°
C11	C12	C13	H3	180.0°	180.0°
C12	C11	C10	C9	0.0°	0.0°
C11	C12	C13	N14	0.1°	0.0°
C12	C11	C10	H1	180.0°	179.8°
C11	C12	C13	H4	179.9°	180.0°
C10	C11	C12	C13	0.0°	0.0°
C11	C10	C9	H1	180.0°	179.8°
C11	C10	C9	N14	0.0°	0.1°
C11	C10	C9	C8	179.1°	179.7°
C10	C11	C12	H3	180.0°	179.9°
C12	C13	N14	H4	180.0°	179.9°
C12	C13	N14	C9	0.1°	0.0°
C13	C12	C11	H2	180.0°	179.9°
C20	C21	C15	H8	180.0°	179.7°
C20	C21	C15	C8	179.2°	179.7°
C10	C9	N14	C13	0.0°	0.0°
C10	C9	C8	C15	69.1°	83.7°
C10	C9	N14	C8	179.2°	179.7°
C10	C9	C8	C7	58.6°	36.3°
C9	C10	C11	H2	180.0°	179.9°
C10	C9	C8	H13	174.8°	156.3°
C13	N14	C9	C8	179.2°	179.7°
N14	C13	C12	H3	179.9°	179.9°
C21	C15	C8	C9	166.9°	124.1°
C21	C15	C8	C7	39.4°	116.0°
C21	C15	C16	H5	180.0°	180.0°
C15	C21	C20	H7	179.9°	180.0°
C21	C15	C8	H13	77.0°	4.1°
C15	C8	C9	N14	110.1°	96.0°
C15	C8	C9	C7	127.7°	120.0°
C15	C8	C9	H13	116.1°	120.0°
C15	C8	C7	H13	116.4°	120.1°
C15	C8	C7	C6	48.1°	159.5°
C15	C8	C7	C4	131.0°	21.3°
C8	C15	C16	H5	0.8°	0.3°
C8	C15	C21	H8	0.8°	0.0°
N14	C9	C8	C7	122.3°	144.0°
N14	C9	C10	H1	180.0°	179.8°
C9	N14	C13	H4	179.9°	180.0°
N14	C9	C8	H13	6.0°	24.0°
C9	C8	C7	H13	116.3°	120.0°
C9	C8	C7	C6	79.2°	39.5°
C9	C8	C7	C4	101.8°	141.3°
C8	C9	C10	H1	0.9°	0.1°
C8	C7	C6	C4	179.1°	179.2°
C8	C7	C6	C5	179.0°	180.0°
C8	C7	C4	C3	179.0°	179.7°
C8	C7	C4	H10	0.9°	0.2°
C8	C7	C6	H12	1.0°	0.9°
C7	C6	C5	H12	180.0°	179.1°
C7	C6	C5	C2	0.1°	0.5°
C6	C7	C4	C3	0.0°	0.5°
C6	C7	C4	H10	180.0°	179.4°
C7	C6	C5	H11	179.9°	179.4°
C6	C7	C8	H13	164.5°	80.4°
C5	C6	C7	C4	0.1°	0.8°
C6	C5	C2	H11	180.0°	180.0°
C6	C5	C2	C3	0.0°	0.0°
C6	C5	C2	O1	179.6°	179.7°
C7	C4	C3	H10	180.0°	179.9°
C7	C4	C3	C2	0.0°	0.0°
C7	C4	C3	H9	179.9°	180.0°
C4	C7	C6	H12	179.9°	179.9°
C4	C7	C8	H13	14.6°	98.8°
C5	C2	C3	C4	0.1°	0.3°
C5	C2	C3	O1	179.6°	179.7°
C5	C2	C3	H9	179.9°	179.7°
C2	C5	C6	H12	179.9°	179.7°
C5	C2	O1	H14	180.0°	90.3°
C4	C3	C2	H9	180.0°	180.0°
C4	C3	C2	O1	179.6°	180.0°
C2	C3	C4	H10	180.0°	180.0°
C3	C2	C5	H11	180.0°	180.0°
C3	C2	O1	H14	0.4°	90.0°
O1	C2	C3	H9	0.5°	0.0°
O1	C2	C5	H11	0.4°	0.3°
H1	C10	C11	H2	0.0°	0.3°
H2	C11	C12	H3	0.0°	0.0°
H3	C12	C13	H4	0.1°	0.0°
H5	C16	C17	H6	0.0°	0.0°
H7	C20	C21	H8	0.1°	0.3°
H9	C3	C4	H10	0.1°	0.0°
H11	C5	C6	H12	0.1°	0.3°

Release date:	2026-02-04
Definition date:	2025-09-02
Last modified:	2026-01-30
Release status:	REL
Processing site:	RCSB
Derived from:	9Y2C