W5E

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	C11	doub	1.38Å	1.39Å	Aromatic
C12	C13	sing	1.39Å	1.40Å	Aromatic
O17	C13	sing	1.36Å	1.40Å
C11	C10	sing	1.39Å	1.38Å	Aromatic
C13	C14	doub	1.39Å	1.38Å	Aromatic
C10	N09	sing	1.40Å	1.45Å
C10	C15	doub	1.39Å	1.39Å	Aromatic
O21	C19	doub	1.21Å	1.25Å
C08	N09	sing	1.35Å	1.32Å	Aromatic
C08	C07	doub	1.38Å	1.38Å	Aromatic
C14	C15	sing	1.38Å	1.38Å	Aromatic
C14	O16	sing	1.36Å	1.41Å
O22	C18	doub	1.22Å	1.19Å
N09	C05	sing	1.38Å	1.33Å	Aromatic
C18	C07	sing	1.46Å	1.53Å
C18	C19	sing	1.49Å	1.51Å
C07	C06	sing	1.48Å	1.41Å	Aromatic
C19	O20	sing	1.35Å	1.25Å
C05	C06	doub	1.40Å	1.38Å	Aromatic
C05	C04	sing	1.39Å	1.41Å	Aromatic
C06	C01	sing	1.39Å	1.40Å	Aromatic
C04	C03	doub	1.38Å	1.39Å	Aromatic
C01	C02	doub	1.39Å	1.40Å	Aromatic
C03	C02	sing	1.40Å	1.40Å	Aromatic
C02	C23	sing	1.48Å	1.53Å
C24	C23	doub	1.39Å	1.39Å	Aromatic
C24	C25	sing	1.38Å	1.38Å	Aromatic
C23	C28	sing	1.39Å	1.39Å	Aromatic
C25	C26	doub	1.38Å	1.38Å	Aromatic
C28	C27	doub	1.38Å	1.38Å	Aromatic
C26	C27	sing	1.39Å	1.39Å	Aromatic
C27	O29	sing	1.36Å	1.41Å
C15	H1	sing	1.08Å	1.08Å
C24	H2	sing	1.08Å	1.08Å
C26	H3	sing	1.08Å	1.08Å
C28	H4	sing	1.08Å	1.08Å
C01	H5	sing	1.08Å	1.08Å
C03	H6	sing	1.08Å	1.08Å
C04	H7	sing	1.08Å	1.08Å
C08	H8	sing	1.08Å	1.08Å
C11	H9	sing	1.08Å	1.08Å
C12	H10	sing	1.08Å	1.08Å
C25	H11	sing	1.08Å	1.08Å
O16	H12	sing	0.97Å	0.95Å
O17	H13	sing	0.97Å	0.95Å
O20	H14	sing	0.97Å	0.95Å
O29	H15	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C12	C13	121.0°	120.1°
C12	C11	C10	118.4°	120.1°
C12	C11	H9	120.8°	119.9°
C11	C12	H10	119.5°	120.0°
C12	C13	O17	121.5°	120.0°
C12	C13	C14	120.3°	120.0°
C13	C12	H10	119.5°	120.0°
O17	C13	C14	118.2°	120.0°
C13	O17	H13	109.5°	114.0°
C11	C10	N09	125.5°	120.0°
C11	C10	C15	120.3°	120.0°
C10	C11	H9	120.8°	120.0°
C13	C14	C15	118.6°	119.9°
C13	C14	O16	121.1°	120.0°
N09	C10	C15	114.2°	120.0°
C10	N09	C08	125.3°	124.6°
C10	N09	C05	124.5°	124.7°
C10	C15	C14	121.5°	119.9°
C10	C15	H1	119.2°	120.0°
O21	C19	C18	119.4°	120.0°
O21	C19	O20	121.3°	120.0°
N09	C08	C07	109.3°	109.6°
C08	N09	C05	110.0°	110.7°
N09	C08	H8	125.3°	125.2°
C08	C07	C18	126.0°	126.9°
C08	C07	C06	105.9°	106.1°
C07	C08	H8	125.4°	125.2°
C15	C14	O16	120.3°	120.0°
C14	C15	H1	119.3°	120.0°
C14	O16	H12	109.5°	114.0°
O22	C18	C07	122.1°	120.0°
O22	C18	C19	117.9°	120.0°
N09	C05	C06	108.8°	107.7°
N09	C05	C04	130.2°	132.8°
C07	C18	C19	120.0°	120.0°
C18	C07	C06	128.1°	127.0°
C18	C19	O20	119.2°	120.0°
C07	C06	C05	105.9°	105.9°
C07	C06	C01	135.0°	133.8°
C19	O20	H14	109.5°	117.0°
C06	C05	C04	121.0°	119.6°
C05	C06	C01	119.1°	120.2°
C05	C04	C03	119.6°	120.1°
C05	C04	H7	120.2°	120.0°
C06	C01	C02	120.2°	119.6°
C06	C01	H5	119.9°	120.2°
C04	C03	C02	119.7°	120.5°
C04	C03	H6	120.2°	119.8°
C03	C04	H7	120.2°	119.9°
C01	C02	C03	120.4°	120.0°
C01	C02	C23	119.9°	120.0°
C02	C01	H5	119.9°	120.2°
C03	C02	C23	119.7°	120.0°
C02	C03	H6	120.1°	119.7°
C02	C23	C24	123.6°	120.1°
C02	C23	C28	116.8°	120.1°
C23	C24	C25	120.0°	120.0°
C24	C23	C28	119.5°	119.8°
C23	C24	H2	120.0°	120.0°
C24	C25	C26	120.0°	120.2°
C25	C24	H2	120.0°	120.0°
C24	C25	H11	120.0°	119.9°
C23	C28	C27	120.8°	119.8°
C23	C28	H4	119.6°	120.1°
C25	C26	C27	120.6°	120.2°
C25	C26	H3	119.7°	119.9°
C26	C25	H11	120.0°	119.9°
C28	C27	C26	119.1°	120.0°
C28	C27	O29	119.8°	120.0°
C27	C28	H4	119.6°	120.1°
C26	C27	O29	121.1°	120.0°
C27	C26	H3	119.7°	119.9°
C27	O29	H15	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C12	C13	H10	180.0°	179.9°
C11	C12	C13	O17	179.6°	180.0°
C12	C11	C10	H9	180.0°	179.9°
C11	C12	C13	C14	0.4°	0.4°
C12	C11	C10	N09	179.7°	180.0°
C12	C11	C10	C15	1.2°	0.2°
C12	C13	O17	C14	180.0°	179.6°
C13	C12	C11	C10	0.9°	0.1°
C12	C13	C14	C15	0.0°	0.3°
C12	C13	C14	O16	179.8°	179.9°
C13	C12	C11	H9	179.1°	180.0°
C12	C13	O17	H13	180.0°	89.7°
O17	C13	C14	C15	179.9°	180.0°
O17	C13	C14	O16	0.2°	0.3°
O17	C13	C12	H10	0.4°	0.1°
C11	C10	N09	C15	178.6°	179.8°
C11	C10	N09	C08	111.4°	129.8°
C11	C10	C15	C14	0.9°	0.2°
C11	C10	N09	C05	74.0°	49.2°
C11	C10	C15	H1	179.1°	179.8°
C10	C11	C12	H10	179.1°	180.0°
C13	C14	C15	C10	0.3°	0.1°
C13	C14	C15	O16	179.8°	179.7°
C13	C14	C15	H1	179.7°	179.9°
C14	C13	C12	H10	179.7°	179.8°
C13	C14	O16	H12	180.0°	90.0°
C14	C13	O17	H13	0.0°	90.0°
C10	N09	C08	C05	175.3°	179.0°
C10	N09	C08	C07	176.7°	180.0°
N09	C10	C15	C14	179.6°	180.0°
C10	N09	C05	C06	176.9°	179.9°
C10	N09	C05	C04	3.7°	0.6°
N09	C10	C15	H1	0.4°	0.0°
C10	N09	C08	H8	3.2°	1.0°
N09	C10	C11	H9	0.3°	0.1°
C15	C10	N09	C08	70.0°	50.1°
C10	C15	C14	H1	180.0°	180.0°
C10	C15	C14	O16	180.0°	179.8°
C15	C10	N09	C05	104.7°	131.0°
C15	C10	C11	H9	178.8°	179.7°
O21	C19	C18	O22	94.2°	180.0°
O21	C19	C18	C07	85.1°	0.1°
O21	C19	C18	O20	179.4°	179.9°
O21	C19	O20	H14	0.0°	0.0°
N09	C08	C07	H8	180.0°	179.1°
N09	C08	C07	C18	178.3°	179.4°
N09	C08	C07	C06	0.7°	0.6°
C08	N09	C05	C06	1.5°	0.9°
C08	N09	C05	C04	179.1°	179.7°
C08	C07	C18	O22	22.7°	179.9°
C07	C08	N09	C05	1.4°	0.9°
C08	C07	C18	C06	178.9°	179.9°
C08	C07	C18	C19	156.6°	0.1°
C08	C07	C06	C05	0.2°	0.0°
C08	C07	C06	C01	179.9°	179.4°
C15	C14	O16	H12	0.2°	89.7°
O16	C14	C15	H1	0.1°	0.2°
O22	C18	C07	C19	179.3°	179.9°
O22	C18	C07	C06	158.5°	0.0°
O22	C18	C19	O20	85.2°	0.1°
N09	C05	C06	C07	1.0°	0.5°
N09	C05	C06	C04	179.4°	179.5°
N09	C05	C06	C01	179.0°	180.0°
N09	C05	C04	C03	179.0°	179.6°
N09	C05	C04	H7	1.1°	0.4°
C05	N09	C08	H8	178.5°	180.0°
C07	C18	C19	O20	95.5°	180.0°
C18	C07	C06	C05	179.2°	179.9°
C18	C07	C06	C01	0.8°	0.7°
C18	C07	C08	H8	1.7°	0.3°
C19	C18	C07	C06	22.3°	180.0°
C18	C19	O20	H14	179.4°	179.9°
C07	C06	C05	C01	180.0°	179.5°
C07	C06	C05	C04	179.5°	180.0°
C07	C06	C01	C02	180.0°	179.8°
C07	C06	C01	H5	0.0°	0.4°
C06	C07	C08	H8	179.2°	179.6°
C06	C05	C04	C03	0.3°	0.2°
C05	C06	C01	C02	0.0°	0.5°
C05	C06	C01	H5	180.0°	179.8°
C06	C05	C04	H7	179.6°	179.8°
C04	C05	C06	C01	0.4°	0.4°
C05	C04	C03	H7	180.0°	180.0°
C05	C04	C03	C02	0.2°	0.1°
C05	C04	C03	H6	179.7°	179.9°
C06	C01	C02	H5	180.0°	179.8°
C06	C01	C02	C03	0.6°	0.2°
C06	C01	C02	C23	178.3°	179.8°
C04	C03	C02	C01	0.7°	0.0°
C04	C03	C02	H6	180.0°	180.0°
C04	C03	C02	C23	178.4°	180.0°
C01	C02	C03	C23	177.7°	180.0°
C01	C02	C23	C24	130.7°	0.0°
C01	C02	C23	C28	52.0°	180.0°
C01	C02	C03	H6	179.3°	180.0°
C03	C02	C23	C24	51.6°	180.0°
C03	C02	C23	C28	125.7°	0.0°
C03	C02	C01	H5	179.4°	180.0°
C02	C03	C04	H7	179.8°	180.0°
C02	C23	C24	C28	177.3°	180.0°
C02	C23	C24	C25	179.1°	180.0°
C02	C23	C28	C27	179.0°	180.0°
C02	C23	C24	H2	0.9°	0.3°
C02	C23	C28	H4	1.0°	0.0°
C23	C02	C01	H5	1.7°	0.0°
C23	C02	C03	H6	1.6°	0.0°
C23	C24	C25	H2	180.0°	179.7°
C23	C24	C25	C26	1.0°	0.0°
C24	C23	C28	C27	1.6°	0.0°
C24	C23	C28	H4	178.4°	179.9°
C23	C24	C25	H11	179.0°	180.0°
C25	C24	C23	C28	1.8°	0.0°
C24	C25	C26	H11	180.0°	180.0°
C24	C25	C26	C27	0.1°	0.0°
C24	C25	C26	H3	179.9°	180.0°
C23	C28	C27	H4	180.0°	180.0°
C23	C28	C27	C26	0.5°	0.0°
C23	C28	C27	O29	179.0°	180.0°
C28	C23	C24	H2	178.2°	179.7°
C25	C26	C27	C28	0.4°	0.1°
C25	C26	C27	H3	180.0°	179.9°
C25	C26	C27	O29	179.8°	180.0°
C26	C25	C24	H2	179.0°	179.8°
C28	C27	C26	O29	179.4°	180.0°
C28	C27	C26	H3	179.7°	180.0°
C28	C27	O29	H15	180.0°	90.1°
C26	C27	C28	H4	179.5°	179.9°
C27	C26	C25	H11	179.9°	180.0°
C26	C27	O29	H15	0.6°	89.9°
O29	C27	C26	H3	0.2°	0.0°
O29	C27	C28	H4	1.1°	0.1°
H2	C24	C25	H11	1.0°	0.3°
H3	C26	C25	H11	0.1°	0.1°
H6	C03	C04	H7	0.2°	0.0°
H9	C11	C12	H10	0.9°	0.1°

Release date:	2024-05-08
Definition date:	2023-04-28
Last modified:	2024-05-03
Release status:	REL
Processing site:	PDBE
Derived from:	8OWR