A1MBR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O16	N15	sing	1.42Å	1.32Å
N15	C17	doub	1.32Å	1.35Å	Aromatic
N15	C14	sing	1.32Å	1.35Å	Aromatic
C17	C18	sing	1.38Å	1.37Å	Aromatic
C14	C13	doub	1.38Å	1.37Å	Aromatic
C18	C19	doub	1.39Å	1.38Å	Aromatic
C13	C19	sing	1.39Å	1.39Å	Aromatic
C13	C12	sing	1.51Å	1.51Å
CL1	C2	sing	1.74Å	1.74Å
C21	C20	doub	1.39Å	1.38Å	Aromatic
C21	C2	sing	1.36Å	1.36Å	Aromatic
C12	C11	sing	1.53Å	1.51Å
C20	C9	sing	1.37Å	1.37Å	Aromatic
C2	C3	doub	1.41Å	1.42Å	Aromatic
C11	O10	sing	1.43Å	1.43Å
C9	O10	sing	1.36Å	1.37Å
C9	C8	doub	1.41Å	1.42Å	Aromatic
C3	C8	sing	1.42Å	1.43Å	Aromatic
C3	C4	sing	1.40Å	1.42Å	Aromatic
C8	C7	sing	1.40Å	1.42Å	Aromatic
C4	C5	doub	1.36Å	1.37Å	Aromatic
C7	C6	doub	1.36Å	1.37Å	Aromatic
C5	C6	sing	1.39Å	1.38Å	Aromatic
C11	H1	sing	1.09Å	1.10Å
C11	H2	sing	1.09Å	1.10Å
C12	H3	sing	1.09Å	1.10Å
C12	H4	sing	1.09Å	1.10Å
C14	H5	sing	1.08Å	1.08Å
C17	H6	sing	1.08Å	1.08Å
C18	H7	sing	1.08Å	1.08Å
C19	H8	sing	1.08Å	1.08Å
C20	H9	sing	1.08Å	1.08Å
C21	H10	sing	1.08Å	1.08Å
C4	H11	sing	1.08Å	1.08Å
C5	H12	sing	1.08Å	1.08Å
C6	H13	sing	1.08Å	1.08Å
C7	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O16	N15	C17	119.8°	119.2°
O16	N15	C14	119.4°	119.2°
C17	N15	C14	120.8°	121.6°
N15	C17	C18	120.0°	120.8°
N15	C17	H6	120.0°	119.6°
N15	C14	C13	121.3°	120.8°
N15	C14	H5	119.3°	119.6°
C17	C18	C19	119.5°	119.2°
C18	C17	H6	120.0°	119.6°
C17	C18	H7	120.2°	120.5°
C14	C13	C19	118.1°	119.2°
C14	C13	C12	120.8°	120.4°
C13	C14	H5	119.4°	119.7°
C18	C19	C13	120.3°	118.4°
C19	C18	H7	120.2°	120.4°
C18	C19	H8	119.8°	120.7°
C19	C13	C12	121.1°	120.4°
C13	C19	H8	119.9°	120.8°
C13	C12	C11	113.2°	109.5°
C13	C12	H3	108.6°	109.4°
C13	C12	H4	108.5°	109.4°
CL1	C2	C21	118.7°	120.1°
CL1	C2	C3	119.2°	120.1°
C20	C21	C2	120.5°	121.0°
C21	C20	C9	120.2°	120.9°
C21	C20	H9	119.9°	119.5°
C20	C21	H10	119.8°	119.5°
C21	C2	C3	122.1°	119.7°
C2	C21	H10	119.7°	119.4°
C12	C11	O10	108.6°	109.5°
C12	C11	H1	109.7°	109.4°
C12	C11	H2	109.7°	109.5°
C11	C12	H3	108.5°	109.5°
C11	C12	H4	108.5°	109.5°
C20	C9	O10	124.4°	120.2°
C20	C9	C8	121.1°	119.6°
C9	C20	H9	119.9°	119.6°
C2	C3	C8	117.4°	119.4°
C2	C3	C4	124.3°	121.3°
C11	O10	C9	117.5°	117.0°
O10	C11	H1	109.7°	109.5°
O10	C11	H2	109.7°	109.5°
O10	C9	C8	114.5°	120.3°
C9	C8	C3	118.8°	119.4°
C9	C8	C7	122.7°	121.3°
C8	C3	C4	118.3°	119.4°
C3	C8	C7	118.5°	119.4°
C3	C4	C5	121.1°	119.7°
C3	C4	H11	119.5°	120.2°
C8	C7	C6	121.0°	119.7°
C8	C7	H14	119.5°	120.2°
C4	C5	C6	120.6°	121.0°
C5	C4	H11	119.5°	120.2°
C4	C5	H12	119.7°	119.5°
C7	C6	C5	120.5°	120.9°
C7	C6	H13	119.7°	119.5°
C6	C7	H14	119.5°	120.2°
C6	C5	H12	119.7°	119.5°
C5	C6	H13	119.8°	119.6°
H1	C11	H2	109.5°	109.5°
H3	C12	H4	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O16	N15	C17	C14	180.0°	179.8°
O16	N15	C17	C18	180.0°	180.0°
O16	N15	C14	C13	180.0°	179.8°
O16	N15	C14	H5	0.1°	0.2°
O16	N15	C17	H6	0.0°	0.4°
N15	C17	C18	H6	180.0°	179.6°
C17	N15	C14	C13	0.1°	0.0°
N15	C17	C18	C19	0.0°	0.4°
C17	N15	C14	H5	179.9°	180.0°
N15	C17	C18	H7	179.9°	179.5°
C14	N15	C17	C18	0.0°	0.2°
N15	C14	C13	H5	180.0°	180.0°
N15	C14	C13	C19	0.0°	0.0°
N15	C14	C13	C12	180.0°	179.7°
C14	N15	C17	H6	180.0°	179.8°
C17	C18	C19	H7	180.0°	179.9°
C17	C18	C19	C13	0.1°	0.4°
C17	C18	C19	H8	179.9°	179.5°
C14	C13	C19	C18	0.0°	0.2°
C14	C13	C19	C12	180.0°	179.7°
C14	C13	C12	C11	160.5°	89.7°
C14	C13	C12	H3	39.9°	150.3°
C14	C13	C12	H4	79.0°	30.3°
C14	C13	C19	H8	179.9°	179.7°
C18	C19	C13	H8	180.0°	180.0°
C18	C19	C13	C12	179.9°	179.9°
C19	C18	C17	H6	180.0°	180.0°
C19	C13	C12	C11	19.5°	90.0°
C19	C13	C12	H3	140.1°	30.0°
C19	C13	C12	H4	101.0°	150.0°
C19	C13	C14	H5	179.9°	180.0°
C13	C19	C18	H7	179.9°	179.5°
C13	C12	C11	H3	120.6°	120.0°
C13	C12	C11	H4	120.6°	119.9°
C13	C12	C11	O10	177.9°	180.0°
C13	C12	C11	H1	62.2°	60.0°
C13	C12	C11	H2	58.0°	60.0°
C13	C12	H3	H4	118.3°	119.9°
C12	C13	C14	H5	0.0°	0.3°
C12	C13	C19	H8	0.1°	0.0°
CL1	C2	C21	C20	180.0°	179.8°
CL1	C2	C21	C3	180.0°	179.8°
CL1	C2	C3	C8	180.0°	179.7°
CL1	C2	C3	C4	0.0°	0.3°
CL1	C2	C21	H10	0.0°	0.3°
C20	C21	C2	H10	180.0°	180.0°
C21	C20	C9	H9	180.0°	180.0°
C20	C21	C2	C3	0.0°	0.1°
C21	C20	C9	O10	179.9°	179.9°
C21	C20	C9	C8	0.1°	0.0°
C2	C21	C20	C9	0.1°	0.0°
C21	C2	C3	C8	0.0°	0.1°
C21	C2	C3	C4	180.0°	179.9°
C2	C21	C20	H9	179.9°	180.0°
C12	C11	O10	H1	119.9°	119.9°
C12	C11	O10	H2	119.9°	120.0°
C12	C11	O10	C9	95.8°	179.9°
C12	C11	H1	H2	120.4°	120.0°
C11	C12	H3	H4	118.3°	120.1°
C20	C9	O10	C11	0.9°	0.0°
C20	C9	O10	C8	180.0°	180.0°
C20	C9	C8	C3	0.1°	0.0°
C20	C9	C8	C7	180.0°	180.0°
C9	C20	C21	H10	179.9°	179.9°
C2	C3	C8	C9	0.0°	0.0°
C2	C3	C8	C4	180.0°	180.0°
C2	C3	C8	C7	180.0°	180.0°
C2	C3	C4	C5	180.0°	180.0°
C3	C2	C21	H10	180.0°	179.9°
C2	C3	C4	H11	0.0°	0.1°
C11	O10	C9	C8	179.2°	180.0°
O10	C11	H1	H2	120.4°	120.0°
O10	C11	C12	H3	57.3°	60.0°
O10	C11	C12	H4	61.5°	60.1°
O10	C9	C8	C3	179.9°	179.9°
O10	C9	C8	C7	0.0°	0.0°
C9	O10	C11	H1	144.3°	60.0°
C9	O10	C11	H2	24.1°	60.0°
O10	C9	C20	H9	0.1°	0.0°
C9	C8	C3	C7	179.9°	179.9°
C9	C8	C3	C4	179.9°	179.9°
C9	C8	C7	C6	179.9°	180.0°
C8	C9	C20	H9	179.9°	180.0°
C9	C8	C7	H14	0.0°	0.1°
C8	C3	C4	C5	0.0°	0.0°
C3	C8	C7	C6	0.0°	0.1°
C8	C3	C4	H11	180.0°	180.0°
C3	C8	C7	H14	180.0°	179.9°
C4	C3	C8	C7	0.0°	0.0°
C3	C4	C5	H11	180.0°	179.9°
C3	C4	C5	C6	0.0°	0.0°
C3	C4	C5	H12	180.0°	179.9°
C8	C7	C6	H14	180.0°	179.9°
C8	C7	C6	C5	0.0°	0.1°
C8	C7	C6	H13	179.9°	180.0°
C4	C5	C6	C7	0.0°	0.1°
C4	C5	C6	H12	180.0°	179.9°
C4	C5	C6	H13	180.0°	180.0°
C7	C6	C5	H13	180.0°	179.9°
C7	C6	C5	H12	180.0°	180.0°
C6	C5	C4	H11	180.0°	179.9°
C5	C6	C7	H14	180.0°	180.0°
H1	C11	C12	H3	177.2°	60.0°
H1	C11	C12	H4	58.3°	180.0°
H2	C11	C12	H3	62.5°	180.0°
H2	C11	C12	H4	178.6°	59.9°
H6	C17	C18	H7	0.1°	0.1°
H7	C18	C19	H8	0.1°	0.6°
H9	C20	C21	H10	0.1°	0.0°
H11	C4	C5	H12	0.0°	0.0°
H12	C5	C6	H13	0.1°	0.1°
H13	C6	C7	H14	0.1°	0.1°

Release date:	2026-07-01
Definition date:	2025-09-02
Last modified:	2026-06-26
Release status:	REL
Processing site:	PDBJ
Derived from:	9WIK