A1MB9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O02	C01	sing	1.43Å	1.40Å
C03	O02	sing	1.36Å	1.44Å
C04	C03	doub	1.39Å	1.42Å	Aromatic
O05	C04	sing	1.36Å	1.43Å
C06	C04	sing	1.39Å	1.39Å	Aromatic
C07	C06	doub	1.38Å	1.36Å	Aromatic
O08	C07	sing	1.36Å	1.39Å
C09	C07	sing	1.40Å	1.43Å	Aromatic
C10	C09	sing	1.47Å	1.40Å
O11	C10	doub	1.22Å	1.20Å
C12	C10	sing	1.42Å	1.42Å
O13	C12	sing	1.36Å	1.44Å
C14	C12	doub	1.36Å	1.40Å
C16	C15	doub	1.40Å	1.42Å	Aromatic
C17	C16	sing	1.38Å	1.35Å	Aromatic
C18	C17	doub	1.38Å	1.44Å	Aromatic
C19	C18	sing	1.38Å	1.36Å	Aromatic
C20	C19	doub	1.39Å	1.40Å	Aromatic
O21	C20	sing	1.36Å	1.39Å
C15	C14	sing	1.47Å	1.42Å
O22	C14	sing	1.34Å	1.33Å
C23	O22	sing	1.35Å	1.39Å
C03	C23	sing	1.39Å	1.37Å	Aromatic
C09	C23	doub	1.41Å	1.38Å	Aromatic
C15	C20	sing	1.40Å	1.40Å	Aromatic
C01	H011	sing	1.09Å	1.10Å
C01	H012	sing	1.09Å	1.10Å
C01	H013	sing	1.09Å	1.10Å
C06	H061	sing	1.08Å	1.08Å
C16	H161	sing	1.08Å	1.08Å
C17	H171	sing	1.08Å	1.08Å
C18	H181	sing	1.08Å	1.08Å
C19	H191	sing	1.08Å	1.08Å
O05	H051	sing	0.97Å	0.95Å
O08	H081	sing	0.97Å	0.95Å
O13	H131	sing	0.97Å	0.95Å
O21	H211	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	O02	C03	113.3°	117.0°
O02	C01	H011	109.5°	109.4°
O02	C01	H012	109.4°	109.5°
O02	C01	H013	109.5°	109.5°
O02	C03	C04	120.7°	120.0°
O02	C03	C23	119.8°	120.0°
C03	C04	O05	119.0°	119.7°
C03	C04	C06	120.1°	120.6°
C04	C03	C23	119.5°	120.0°
O05	C04	C06	121.0°	119.7°
C04	O05	H051	109.5°	114.0°
C04	C06	C07	120.0°	120.2°
C04	C06	H061	120.0°	119.9°
C06	C07	O08	119.4°	120.2°
C06	C07	C09	120.7°	119.6°
C07	C06	H061	120.0°	119.9°
O08	C07	C09	120.0°	120.2°
C07	O08	H081	109.5°	114.0°
C07	C09	C10	122.6°	121.3°
C07	C09	C23	118.7°	120.2°
C09	C10	O11	123.3°	121.2°
C09	C10	C12	118.6°	117.4°
C10	C09	C23	118.7°	118.5°
O11	C10	C12	118.1°	121.3°
C10	C12	O13	114.2°	120.2°
C10	C12	C14	120.8°	119.5°
O13	C12	C14	121.4°	120.3°
C12	O13	H131	109.5°	114.1°
C12	C14	C15	125.1°	118.8°
C12	C14	O22	118.7°	122.4°
C15	C16	C17	120.5°	119.9°
C16	C15	C14	116.0°	120.2°
C16	C15	C20	119.4°	119.6°
C15	C16	H161	119.8°	120.0°
C16	C17	C18	119.7°	120.3°
C17	C16	H161	119.7°	120.1°
C16	C17	H171	120.2°	119.9°
C17	C18	C19	120.1°	120.4°
C18	C17	H171	120.1°	119.8°
C17	C18	H181	120.0°	119.8°
C18	C19	C20	120.4°	120.1°
C19	C18	H181	119.9°	119.8°
C18	C19	H191	119.8°	119.9°
C19	C20	O21	118.2°	120.1°
C19	C20	C15	119.9°	119.7°
C20	C19	H191	119.8°	120.0°
O21	C20	C15	121.9°	120.1°
C20	O21	H211	109.5°	114.0°
C15	C14	O22	114.6°	118.8°
C14	C15	C20	124.6°	120.2°
C14	O22	C23	121.5°	122.3°
O22	C23	C03	117.8°	120.7°
O22	C23	C09	121.0°	119.8°
C03	C23	C09	121.1°	119.4°
H011	C01	H012	109.4°	109.5°
H011	C01	H013	109.5°	109.5°
H012	C01	H013	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	O02	C03	C04	92.0°	89.8°
C01	O02	C03	C23	88.5°	90.0°
O02	C01	H011	H012	120.0°	120.0°
O02	C01	H011	H013	120.0°	120.0°
O02	C01	H012	H013	120.0°	120.0°
O02	C03	C04	C23	179.5°	179.8°
O02	C03	C04	O05	0.4°	0.0°
O02	C03	C04	C06	179.0°	180.0°
O02	C03	C23	O22	0.7°	0.5°
O02	C03	C23	C09	180.0°	179.8°
C03	O02	C01	H011	180.0°	180.0°
C03	O02	C01	H012	60.0°	60.0°
C03	O02	C01	H013	60.0°	60.0°
C03	C04	O05	C06	178.6°	180.0°
C03	C04	C06	C07	0.7°	0.0°
C04	C03	C23	O22	179.8°	179.7°
C04	C03	C23	C09	0.5°	0.5°
C03	C04	C06	H061	179.2°	180.0°
C03	C04	O05	H051	180.0°	90.0°
O05	C04	C06	C07	179.3°	180.0°
O05	C04	C03	C23	179.0°	179.8°
O05	C04	C06	H061	0.7°	0.0°
C04	C06	C07	H061	180.0°	180.0°
C04	C06	C07	O08	179.4°	180.0°
C04	C06	C07	C09	0.2°	0.0°
C06	C04	C03	C23	0.4°	0.2°
C06	C04	O05	H051	1.4°	90.0°
C06	C07	O08	C09	179.6°	180.0°
C06	C07	C09	C10	179.1°	180.0°
C06	C07	C09	C23	0.8°	0.3°
C06	C07	O08	H081	180.0°	90.0°
O08	C07	C09	C10	1.3°	0.1°
O08	C07	C09	C23	179.7°	179.8°
O08	C07	C06	H061	0.6°	0.0°
C07	C09	C10	C23	178.3°	179.7°
C07	C09	C10	O11	2.0°	0.1°
C07	C09	C10	C12	175.2°	180.0°
C07	C09	C23	O22	179.6°	179.8°
C07	C09	C23	C03	1.1°	0.5°
C09	C07	C06	H061	179.8°	180.0°
C09	C07	O08	H081	0.4°	90.0°
C09	C10	O11	C12	177.2°	179.9°
C09	C10	C12	O13	157.7°	180.0°
C09	C10	C12	C14	1.1°	0.0°
C10	C09	C23	O22	1.2°	0.5°
C10	C09	C23	C03	179.5°	179.8°
O11	C10	C12	O13	19.6°	0.1°
O11	C10	C12	C14	178.4°	179.9°
O11	C10	C09	C23	179.7°	179.8°
C10	C12	O13	C14	158.7°	180.0°
C10	C12	C14	C15	159.2°	180.0°
C10	C12	C14	O22	5.5°	0.0°
C12	C10	C09	C23	3.2°	0.3°
C10	C12	O13	H131	9.1°	0.1°
O13	C12	C14	C15	1.9°	0.0°
O13	C12	C14	O22	162.8°	180.0°
C12	C14	C15	C16	140.0°	56.7°
C12	C14	C15	O22	165.3°	179.9°
C12	C14	O22	C23	10.1°	0.2°
C12	C14	C15	C20	41.4°	123.6°
C14	C12	O13	H131	167.8°	179.9°
C15	C16	C17	H161	180.0°	180.0°
C15	C16	C17	C18	0.4°	0.0°
C16	C15	C20	C19	0.8°	0.5°
C16	C15	C20	O21	179.4°	179.7°
C16	C15	C14	C20	178.5°	179.7°
C16	C15	C14	O22	25.2°	123.2°
C15	C16	C17	H171	179.6°	180.0°
C16	C17	C18	H171	180.0°	180.0°
C16	C17	C18	C19	0.1°	0.0°
C17	C16	C15	C14	179.5°	180.0°
C17	C16	C15	C20	0.9°	0.3°
C16	C17	C18	H181	179.9°	180.0°
C17	C18	C19	H181	180.0°	180.0°
C17	C18	C19	C20	0.2°	0.3°
C18	C17	C16	H161	179.6°	180.0°
C17	C18	C19	H191	179.8°	180.0°
C18	C19	C20	H191	180.0°	179.8°
C18	C19	C20	O21	179.9°	179.7°
C18	C19	C20	C15	0.3°	0.5°
C19	C18	C17	H171	179.8°	180.0°
C19	C20	O21	C15	179.8°	179.8°
C19	C20	C15	C14	179.3°	179.8°
C20	C19	C18	H181	179.8°	179.7°
C19	C20	O21	H211	180.0°	84.7°
O21	C20	C15	C14	0.9°	0.0°
O21	C20	C19	H191	0.1°	0.1°
C15	C14	O22	C23	156.1°	179.7°
C14	C15	C16	H161	0.4°	0.1°
C14	O22	C23	C03	172.5°	179.8°
C14	O22	C23	C09	8.2°	0.5°
O22	C14	C15	C20	153.3°	56.5°
O22	C23	C03	C09	179.3°	179.3°
C20	C15	C16	H161	179.1°	179.8°
C15	C20	C19	H191	179.7°	179.7°
C15	C20	O21	H211	0.2°	95.0°
H011	C01	H012	H013	120.0°	120.0°
H161	C16	C17	H171	0.4°	0.0°
H171	C17	C18	H181	0.1°	0.0°
H181	C18	C19	H191	0.2°	0.1°

Release date:	2026-10-14
Definition date:	2025-09-22
Last modified:	2026-10-09
Release status:	REL
Processing site:	PDBJ
Derived from:	9WVQ