A1IET

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O32	C14	sing	1.36Å	0.00Å
C05	C06	doub	1.38Å	0.00Å	Aromatic
C05	C04	sing	1.39Å	0.00Å	Aromatic
C14	C15	doub	1.38Å	0.00Å	Aromatic
C14	C12	sing	1.40Å	0.00Å	Aromatic
O29	C25	sing	1.36Å	0.00Å
O35	C04	sing	1.36Å	0.00Å
C15	C16	sing	1.38Å	0.00Å	Aromatic
C06	C07	sing	1.38Å	0.00Å	Aromatic
C04	C03	doub	1.39Å	0.00Å	Aromatic
C26	C25	doub	1.39Å	0.00Å	Aromatic
C26	C27	sing	1.38Å	0.00Å	Aromatic
C25	C24	sing	1.39Å	0.00Å	Aromatic
O13	C12	sing	1.36Å	0.00Å
O13	C09	sing	1.44Å	0.00Å
C12	C11	doub	1.39Å	0.00Å	Aromatic
O28	C27	sing	1.35Å	0.00Å
O28	C18	sing	1.43Å	0.00Å
C27	C22	doub	1.41Å	0.00Å	Aromatic
C16	C18	sing	1.51Å	0.00Å
C16	C17	doub	1.38Å	0.00Å	Aromatic
C24	C23	doub	1.38Å	0.00Å	Aromatic
C07	C09	sing	1.51Å	0.00Å
C07	C08	doub	1.38Å	0.00Å	Aromatic
C18	C19	sing	1.53Å	0.00Å
C03	C08	sing	1.39Å	0.00Å	Aromatic
C03	O02	sing	1.36Å	0.00Å
C09	C10	sing	1.55Å	0.00Å
C11	C17	sing	1.38Å	0.00Å	Aromatic
C11	C10	sing	1.52Å	0.00Å
C22	C23	sing	1.40Å	0.00Å	Aromatic
C22	C20	sing	1.47Å	0.00Å
C23	O30	sing	1.36Å	0.00Å
O02	C01	sing	1.43Å	0.00Å
C10	C33	sing	1.53Å	0.00Å
C20	C19	sing	1.52Å	0.00Å
C20	O21	doub	1.21Å	0.00Å
C19	O31	sing	1.43Å	0.00Å
C33	O34	sing	1.43Å	0.00Å
C10	H101	sing	1.09Å	0.00Å
C24	H241	sing	1.08Å	0.00Å
O31	H311	sing	0.97Å	0.00Å
C01	H012	sing	1.09Å	0.00Å
C01	H013	sing	1.09Å	0.00Å
C01	H011	sing	1.09Å	0.00Å
C05	H051	sing	1.08Å	0.00Å
C06	H061	sing	1.08Å	0.00Å
C08	H081	sing	1.08Å	0.00Å
C09	H091	sing	1.09Å	0.00Å
C15	H151	sing	1.08Å	0.00Å
C17	H171	sing	1.08Å	0.00Å
C18	H181	sing	1.09Å	0.00Å
C19	H191	sing	1.09Å	0.00Å
C26	H261	sing	1.08Å	0.00Å
C33	H331	sing	1.09Å	0.00Å
C33	H332	sing	1.09Å	0.00Å
O29	H291	sing	0.97Å	0.00Å
O30	H301	sing	0.97Å	0.00Å
O32	H321	sing	0.97Å	0.00Å
O34	H341	sing	0.97Å	0.00Å
O35	H351	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O32	C14	C15	90.0°	119.9°
O32	C14	C12	90.0°	119.9°
C14	O32	H321	90.0°	114.0°
C06	C05	C04	90.0°	120.0°
C05	C06	C07	90.0°	120.2°
C06	C05	H051	90.0°	119.9°
C05	C06	H061	90.0°	119.9°
C05	C04	O35	90.0°	120.1°
C05	C04	C03	90.0°	119.8°
C04	C05	H051	90.0°	120.0°
C15	C14	C12	90.0°	120.1°
C14	C15	C16	90.0°	120.3°
C14	C15	H151	90.0°	119.8°
C14	C12	O13	90.0°	129.9°
C14	C12	C11	90.0°	118.9°
O29	C25	C26	90.0°	119.7°
O29	C25	C24	90.0°	119.6°
C25	O29	H291	90.0°	114.0°
O35	C04	C03	90.0°	120.1°
C04	O35	H351	90.0°	114.0°
C15	C16	C18	90.0°	120.1°
C15	C16	C17	90.0°	119.8°
C16	C15	H151	90.0°	119.9°
C06	C07	C09	90.0°	120.0°
C06	C07	C08	90.0°	120.1°
C07	C06	H061	90.0°	119.9°
C04	C03	C08	90.0°	119.8°
C04	C03	O02	90.0°	120.1°
C25	C26	C27	90.0°	120.2°
C26	C25	C24	90.0°	120.7°
C25	C26	H261	90.0°	119.9°
C26	C27	O28	90.0°	119.9°
C26	C27	C22	90.0°	119.3°
C27	C26	H261	90.0°	119.9°
C25	C24	C23	90.0°	120.1°
C25	C24	H241	90.0°	120.0°
C12	O13	C09	90.0°	109.2°
O13	C12	C11	90.0°	111.2°
O13	C09	C07	90.0°	110.8°
O13	C09	C10	90.0°	102.8°
O13	C09	H091	90.0°	110.9°
C12	C11	C17	90.0°	120.8°
C12	C11	C10	90.0°	107.1°
C27	O28	C18	90.0°	118.6°
O28	C27	C22	90.0°	120.8°
O28	C18	C16	90.0°	109.5°
O28	C18	C19	90.0°	109.4°
O28	C18	H181	90.0°	109.5°
C27	C22	C23	90.0°	120.3°
C27	C22	C20	90.0°	119.1°
C18	C16	C17	90.0°	120.1°
C16	C18	C19	90.0°	109.5°
C16	C18	H181	90.0°	109.5°
C16	C17	C11	90.0°	120.1°
C16	C17	H171	90.0°	119.9°
C24	C23	C22	90.0°	119.5°
C24	C23	O30	90.0°	120.3°
C23	C24	H241	90.0°	119.9°
C09	C07	C08	90.0°	119.9°
C07	C09	C10	90.0°	110.7°
C07	C09	H091	90.0°	110.7°
C07	C08	C03	90.0°	120.0°
C07	C08	H081	90.0°	120.0°
C18	C19	C20	90.0°	107.2°
C18	C19	O31	90.0°	109.9°
C19	C18	H181	90.0°	109.5°
C18	C19	H191	90.0°	109.9°
C08	C03	O02	90.0°	120.1°
C03	C08	H081	90.0°	120.0°
C03	O02	C01	90.0°	117.0°
C09	C10	C11	90.0°	102.0°
C09	C10	C33	90.0°	110.9°
C09	C10	H101	90.0°	111.0°
C10	C09	H091	90.0°	110.7°
C17	C11	C10	90.0°	132.1°
C11	C17	H171	90.0°	120.0°
C11	C10	C33	90.0°	110.9°
C11	C10	H101	90.0°	110.9°
C23	C22	C20	90.0°	120.7°
C22	C23	O30	90.0°	120.3°
C22	C20	C19	90.0°	116.6°
C22	C20	O21	90.0°	121.8°
C23	O30	H301	90.0°	114.0°
O02	C01	H012	90.0°	109.5°
O02	C01	H013	90.0°	109.5°
O02	C01	H011	90.0°	109.5°
C10	C33	O34	90.0°	109.5°
C33	C10	H101	90.0°	110.8°
C10	C33	H331	90.0°	109.4°
C10	C33	H332	90.0°	109.5°
C19	C20	O21	90.0°	121.7°
C20	C19	O31	90.0°	109.9°
C20	C19	H191	90.0°	110.0°
C19	O31	H311	90.0°	114.0°
O31	C19	H191	90.0°	109.9°
O34	C33	H331	90.0°	109.5°
O34	C33	H332	90.0°	109.5°
C33	O34	H341	90.0°	114.0°
H012	C01	H013	90.0°	109.4°
H012	C01	H011	90.0°	109.4°
H013	C01	H011	90.0°	109.5°
H331	C33	H332	90.0°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O32	C14	C15	C12	90.0°	180.0°
O32	C14	C15	C16	90.0°	180.0°
O32	C14	C12	O13	90.0°	1.0°
O32	C14	C12	C11	90.0°	179.6°
O32	C14	C15	H151	90.0°	0.0°
C06	C05	C04	H051	90.0°	179.9°
C06	C05	C04	O35	90.0°	179.9°
C05	C06	C07	H061	90.0°	179.9°
C06	C05	C04	C03	90.0°	0.1°
C05	C06	C07	C09	90.0°	180.0°
C05	C06	C07	C08	90.0°	0.1°
C05	C04	O35	C03	90.0°	180.0°
C04	C05	C06	C07	90.0°	0.1°
C05	C04	C03	C08	90.0°	0.0°
C05	C04	C03	O02	90.0°	179.7°
C04	C05	C06	H061	90.0°	180.0°
C05	C04	O35	H351	90.0°	90.0°
C14	C15	C16	H151	90.0°	180.0°
C15	C14	C12	O13	90.0°	179.0°
C15	C14	C12	C11	90.0°	0.3°
C14	C15	C16	C18	90.0°	179.8°
C14	C15	C16	C17	90.0°	0.2°
C15	C14	O32	H321	90.0°	90.0°
C12	C14	C15	C16	90.0°	0.0°
C14	C12	O13	C11	90.0°	179.4°
C14	C12	O13	C09	90.0°	161.4°
C14	C12	C11	C17	90.0°	0.5°
C14	C12	C11	C10	90.0°	179.3°
C12	C14	C15	H151	90.0°	180.0°
C12	C14	O32	H321	90.0°	90.0°
O29	C25	C26	C24	90.0°	179.9°
O29	C25	C26	C27	90.0°	179.7°
O29	C25	C24	C23	90.0°	179.9°
O29	C25	C24	H241	90.0°	0.2°
O29	C25	C26	H261	90.0°	0.0°
O35	C04	C03	C08	90.0°	180.0°
O35	C04	C03	O02	90.0°	0.3°
O35	C04	C05	H051	90.0°	0.0°
C15	C16	C18	O28	90.0°	35.0°
C15	C16	C18	C17	90.0°	180.0°
C15	C16	C18	C19	90.0°	84.9°
C15	C16	C17	C11	90.0°	0.0°
C15	C16	C17	H171	90.0°	180.0°
C15	C16	C18	H181	90.0°	155.0°
C06	C07	C09	O13	90.0°	28.3°
C06	C07	C09	C08	90.0°	179.9°
C06	C07	C08	C03	90.0°	0.0°
C06	C07	C09	C10	90.0°	85.1°
C07	C06	C05	H051	90.0°	180.0°
C06	C07	C08	H081	90.0°	179.8°
C06	C07	C09	H091	90.0°	151.7°
C04	C03	C08	C07	90.0°	0.0°
C04	C03	C08	O02	90.0°	179.7°
C04	C03	O02	C01	90.0°	179.7°
C03	C04	C05	H051	90.0°	180.0°
C04	C03	C08	H081	90.0°	179.7°
C03	C04	O35	H351	90.0°	90.0°
C25	C26	C27	H261	90.0°	179.7°
C25	C26	C27	O28	90.0°	179.8°
C25	C26	C27	C22	90.0°	0.0°
C26	C25	C24	C23	90.0°	0.1°
C26	C25	C24	H241	90.0°	179.8°
C26	C25	O29	H291	90.0°	90.0°
C27	C26	C25	C24	90.0°	0.3°
C26	C27	O28	C22	90.0°	179.8°
C26	C27	O28	C18	90.0°	157.6°
C26	C27	C22	C23	90.0°	0.5°
C26	C27	C22	C20	90.0°	179.1°
C25	C24	C23	H241	90.0°	179.9°
C25	C24	C23	C22	90.0°	0.4°
C25	C24	C23	O30	90.0°	179.9°
C24	C25	C26	H261	90.0°	180.0°
C24	C25	O29	H291	90.0°	90.0°
C12	O13	C09	C07	90.0°	90.5°
C12	O13	C09	C10	90.0°	27.8°
O13	C12	C11	C17	90.0°	179.0°
O13	C12	C11	C10	90.0°	1.2°
C12	O13	C09	H091	90.0°	146.2°
C09	O13	C12	C11	90.0°	19.2°
O13	C09	C07	C10	90.0°	113.3°
O13	C09	C07	H091	90.0°	123.4°
O13	C09	C07	C08	90.0°	151.7°
O13	C09	C10	H091	90.0°	118.5°
O13	C09	C10	C11	90.0°	25.3°
O13	C09	C10	C33	90.0°	92.9°
O13	C09	C10	H101	90.0°	143.5°
C12	C11	C17	C16	90.0°	0.3°
C12	C11	C10	C09	90.0°	15.3°
C12	C11	C17	C10	90.0°	179.7°
C12	C11	C10	C33	90.0°	102.9°
C12	C11	C10	H101	90.0°	133.5°
C12	C11	C17	H171	90.0°	179.7°
C27	O28	C18	C16	90.0°	172.5°
C27	O28	C18	C19	90.0°	52.6°
O28	C27	C22	C23	90.0°	179.2°
O28	C27	C22	C20	90.0°	1.1°
C27	O28	C18	H181	90.0°	67.5°
O28	C27	C26	H261	90.0°	0.5°
C18	O28	C27	C22	90.0°	22.7°
O28	C18	C16	C19	90.0°	119.9°
O28	C18	C16	H181	90.0°	120.0°
O28	C18	C16	C17	90.0°	145.0°
O28	C18	C19	H181	90.0°	120.0°
O28	C18	C19	C20	90.0°	58.7°
O28	C18	C19	O31	90.0°	178.1°
O28	C18	C19	H191	90.0°	60.8°
C27	C22	C23	C24	90.0°	0.7°
C27	C22	C23	C20	90.0°	179.7°
C27	C22	C23	O30	90.0°	179.6°
C27	C22	C20	C19	90.0°	12.4°
C27	C22	C20	O21	90.0°	167.7°
C22	C27	C26	H261	90.0°	179.7°
C16	C18	C19	H181	90.0°	120.0°
C18	C16	C17	C11	90.0°	179.9°
C16	C18	C19	C20	90.0°	178.6°
C16	C18	C19	O31	90.0°	62.0°
C18	C16	C15	H151	90.0°	0.2°
C18	C16	C17	H171	90.0°	0.0°
C16	C18	C19	H191	90.0°	59.1°
C17	C16	C18	C19	90.0°	95.1°
C16	C17	C11	H171	90.0°	180.0°
C16	C17	C11	C10	90.0°	179.4°
C17	C16	C15	H151	90.0°	179.8°
C17	C16	C18	H181	90.0°	24.9°
C24	C23	C22	O30	90.0°	179.7°
C24	C23	C22	C20	90.0°	178.9°
C24	C23	O30	H301	90.0°	90.1°
C09	C07	C08	C03	90.0°	180.0°
C07	C09	C10	H091	90.0°	123.2°
C07	C09	C10	C11	90.0°	93.1°
C07	C09	C10	C33	90.0°	148.8°
C07	C09	C10	H101	90.0°	25.1°
C09	C07	C06	H061	90.0°	0.1°
C09	C07	C08	H081	90.0°	0.3°
C07	C08	C03	H081	90.0°	179.7°
C07	C08	C03	O02	90.0°	179.7°
C08	C07	C09	C10	90.0°	95.0°
C08	C07	C06	H061	90.0°	180.0°
C08	C07	C09	H091	90.0°	28.2°
C18	C19	C20	C22	90.0°	40.2°
C18	C19	C20	O31	90.0°	119.4°
C18	C19	C20	H191	90.0°	119.5°
C18	C19	C20	O21	90.0°	139.9°
C18	C19	O31	H191	90.0°	121.1°
C18	C19	O31	H311	90.0°	180.0°
C08	C03	O02	C01	90.0°	0.0°
C03	O02	C01	H012	90.0°	60.0°
C03	O02	C01	H013	90.0°	60.0°
C03	O02	C01	H011	90.0°	180.0°
O02	C03	C08	H081	90.0°	0.0°
C09	C10	C11	C17	90.0°	164.5°
C09	C10	C11	C33	90.0°	118.2°
C09	C10	C11	H101	90.0°	118.2°
C09	C10	C33	H101	90.0°	123.7°
C09	C10	C33	O34	90.0°	178.0°
C09	C10	C33	H331	90.0°	58.0°
C09	C10	C33	H332	90.0°	62.0°
C17	C11	C10	C33	90.0°	77.4°
C17	C11	C10	H101	90.0°	46.3°
C11	C10	C33	H101	90.0°	123.7°
C11	C10	C33	O34	90.0°	69.4°
C11	C10	C09	H091	90.0°	143.7°
C10	C11	C17	H171	90.0°	0.6°
C11	C10	C33	H331	90.0°	170.6°
C11	C10	C33	H332	90.0°	50.6°
C23	C22	C20	C19	90.0°	167.9°
C23	C22	C20	O21	90.0°	12.0°
C22	C23	C24	H241	90.0°	179.7°
C22	C23	O30	H301	90.0°	90.2°
C20	C22	C23	O30	90.0°	0.8°
C22	C20	C19	O21	90.0°	179.9°
C22	C20	C19	O31	90.0°	159.6°
C22	C20	C19	H191	90.0°	79.3°
O30	C23	C24	H241	90.0°	0.0°
O02	C01	H012	H013	90.0°	120.0°
O02	C01	H012	H011	90.0°	120.0°
O02	C01	H013	H011	90.0°	120.0°
C10	C33	O34	H331	90.0°	120.0°
C10	C33	O34	H332	90.0°	120.0°
C33	C10	C09	H091	90.0°	25.6°
C10	C33	H331	H332	90.0°	120.0°
C10	C33	O34	H341	90.0°	180.0°
C20	C19	O31	H191	90.0°	121.1°
C20	C19	O31	H311	90.0°	62.2°
C20	C19	C18	H181	90.0°	61.3°
O21	C20	C19	O31	90.0°	20.4°
O21	C20	C19	H191	90.0°	100.7°
O31	C19	C18	H181	90.0°	58.1°
O34	C33	C10	H101	90.0°	54.3°
O34	C33	H331	H332	90.0°	120.0°
H101	C10	C09	H091	90.0°	98.1°
H101	C10	C33	H331	90.0°	65.7°
H101	C10	C33	H332	90.0°	174.3°
H311	O31	C19	H191	90.0°	58.9°
H012	C01	H013	H011	90.0°	120.0°
H051	C05	C06	H061	90.0°	0.1°
H181	C18	C19	H191	90.0°	179.2°
H331	C33	O34	H341	90.0°	60.0°
H332	C33	O34	H341	90.0°	60.0°

Release date:	2025-04-02
Definition date:	2024-06-14
Last modified:	2025-03-28
Release status:	REL
Processing site:	PDBE