W52

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C02	C03	doub	1.38Å	1.37Å	Aromatic
C02	C01	sing	1.38Å	1.37Å	Aromatic
C03	C04	sing	1.38Å	1.37Å	Aromatic
C01	C06	doub	1.38Å	1.37Å	Aromatic
C04	C05	doub	1.39Å	1.37Å	Aromatic
C06	C05	sing	1.39Å	1.37Å	Aromatic
C05	C07	sing	1.48Å	1.50Å
C07	C08	doub	1.40Å	1.38Å	Aromatic
C07	C12	sing	1.39Å	1.38Å	Aromatic
C08	C09	sing	1.38Å	1.37Å	Aromatic
C12	C11	doub	1.39Å	1.39Å	Aromatic
O27	C25	doub	1.21Å	1.24Å
C09	C10	doub	1.39Å	1.40Å	Aromatic
C11	C10	sing	1.41Å	1.37Å	Aromatic
C11	C13	sing	1.48Å	1.40Å	Aromatic
C10	N15	sing	1.38Å	1.32Å	Aromatic
C25	C24	sing	1.49Å	1.51Å
C25	O26	sing	1.35Å	1.24Å
C13	C24	sing	1.46Å	1.52Å
C13	C14	doub	1.38Å	1.38Å	Aromatic
C24	O28	doub	1.22Å	1.16Å
C17	C18	doub	1.38Å	1.37Å	Aromatic
C17	C16	sing	1.39Å	1.37Å	Aromatic
N15	C14	sing	1.35Å	1.30Å	Aromatic
N15	C16	sing	1.40Å	1.43Å
C18	C19	sing	1.39Å	1.36Å	Aromatic
C16	C21	doub	1.39Å	1.38Å	Aromatic
C19	O23	sing	1.36Å	1.38Å
C19	C20	doub	1.39Å	1.38Å	Aromatic
C21	C20	sing	1.38Å	1.38Å	Aromatic
C17	H1	sing	1.08Å	1.08Å
C20	H2	sing	1.08Å	1.08Å
C21	H3	sing	1.08Å	1.08Å
C01	H4	sing	1.08Å	1.08Å
C02	H5	sing	1.08Å	1.08Å
C03	H6	sing	1.08Å	1.08Å
C04	H7	sing	1.08Å	1.08Å
C06	H8	sing	1.08Å	1.08Å
C08	H9	sing	1.08Å	1.08Å
C09	H10	sing	1.08Å	1.08Å
C12	H11	sing	1.08Å	1.08Å
C14	H12	sing	1.08Å	1.08Å
C18	H13	sing	1.08Å	1.08Å
O23	H14	sing	0.97Å	0.95Å
O26	H15	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C03	C02	C01	119.7°	120.3°
C02	C03	C04	120.7°	120.1°
C03	C02	H5	120.1°	119.8°
C02	C03	H6	119.7°	120.0°
C02	C01	C06	120.1°	120.1°
C02	C01	H4	120.0°	120.0°
C01	C02	H5	120.1°	119.9°
C03	C04	C05	118.9°	119.8°
C04	C03	H6	119.7°	119.9°
C03	C04	H7	120.5°	120.1°
C01	C06	C05	119.5°	119.9°
C06	C01	H4	119.9°	119.9°
C01	C06	H8	120.2°	120.0°
C04	C05	C06	121.0°	119.8°
C04	C05	C07	119.0°	120.1°
C05	C04	H7	120.6°	120.1°
C06	C05	C07	119.9°	120.1°
C05	C06	H8	120.2°	120.1°
C05	C07	C08	118.8°	120.0°
C05	C07	C12	119.7°	120.0°
C08	C07	C12	121.5°	120.0°
C07	C08	C09	119.3°	120.5°
C07	C08	H9	120.4°	119.8°
C07	C12	C11	119.6°	119.6°
C07	C12	H11	120.2°	120.2°
C08	C09	C10	119.5°	120.1°
C09	C08	H9	120.4°	119.7°
C08	C09	H10	120.2°	119.9°
C12	C11	C10	119.0°	120.3°
C12	C11	C13	135.1°	133.9°
C11	C12	H11	120.2°	120.2°
O27	C25	C24	119.6°	120.0°
O27	C25	O26	121.6°	120.0°
C09	C10	C11	121.1°	119.5°
C09	C10	N15	130.8°	132.9°
C10	C09	H10	120.2°	119.9°
C10	C11	C13	105.9°	105.9°
C11	C10	N15	108.1°	107.6°
C11	C13	C24	129.2°	126.9°
C11	C13	C14	106.5°	106.1°
C10	N15	C14	111.3°	110.8°
C10	N15	C16	124.8°	124.6°
C24	C25	O26	118.8°	120.0°
C25	C24	C13	122.3°	120.0°
C25	C24	O28	117.7°	120.0°
C25	O26	H15	109.5°	117.0°
C24	C13	C14	124.3°	126.9°
C13	C24	O28	119.9°	120.0°
C13	C14	N15	108.1°	109.6°
C13	C14	H12	125.9°	125.1°
C18	C17	C16	120.5°	120.0°
C17	C18	C19	118.6°	120.0°
C18	C17	H1	119.8°	120.0°
C17	C18	H13	120.7°	120.0°
C17	C16	N15	114.3°	120.0°
C17	C16	C21	121.3°	119.9°
C16	C17	H1	119.8°	119.9°
C14	N15	C16	123.8°	124.6°
N15	C14	H12	125.9°	125.3°
N15	C16	C21	124.4°	120.0°
C18	C19	O23	116.9°	120.0°
C18	C19	C20	121.5°	120.0°
C19	C18	H13	120.7°	119.9°
C16	C21	C20	117.8°	120.0°
C16	C21	H3	121.1°	120.0°
O23	C19	C20	121.6°	120.0°
C19	O23	H14	109.5°	114.0°
C19	C20	C21	120.3°	120.1°
C19	C20	H2	119.8°	120.0°
C21	C20	H2	119.8°	120.0°
C20	C21	H3	121.1°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C03	C02	C01	H5	180.0°	179.9°
C02	C03	C04	H6	180.0°	179.9°
C03	C02	C01	C06	0.7°	0.1°
C02	C03	C04	C05	0.2°	0.1°
C03	C02	C01	H4	179.3°	179.7°
C02	C03	C04	H7	179.8°	180.0°
C01	C02	C03	C04	0.6°	0.1°
C02	C01	C06	H4	180.0°	179.7°
C02	C01	C06	C05	0.0°	0.0°
C01	C02	C03	H6	179.4°	180.0°
C02	C01	C06	H8	180.0°	179.7°
C03	C04	C05	H7	180.0°	179.9°
C03	C04	C05	C06	1.0°	0.0°
C03	C04	C05	C07	178.7°	180.0°
C04	C03	C02	H5	179.4°	179.9°
C01	C06	C05	C04	0.8°	0.0°
C01	C06	C05	H8	180.0°	179.7°
C01	C06	C05	C07	178.5°	180.0°
C06	C01	C02	H5	179.3°	179.9°
C04	C05	C06	C07	177.7°	180.0°
C04	C05	C07	C08	139.0°	0.0°
C04	C05	C07	C12	39.5°	180.0°
C05	C04	C03	H6	179.8°	180.0°
C04	C05	C06	H8	179.1°	179.7°
C06	C05	C07	C08	38.7°	180.0°
C06	C05	C07	C12	142.8°	0.0°
C05	C06	C01	H4	180.0°	179.7°
C06	C05	C04	H7	179.1°	179.9°
C05	C07	C08	C12	178.4°	180.0°
C05	C07	C08	C09	179.0°	180.0°
C05	C07	C12	C11	179.3°	179.9°
C07	C05	C04	H7	1.3°	0.1°
C07	C05	C06	H8	1.4°	0.2°
C05	C07	C08	H9	1.0°	0.0°
C05	C07	C12	H11	0.7°	0.0°
C07	C08	C09	H9	180.0°	180.0°
C08	C07	C12	C11	0.9°	0.1°
C07	C08	C09	C10	0.0°	0.2°
C07	C08	C09	H10	180.0°	179.7°
C08	C07	C12	H11	179.1°	180.0°
C12	C07	C08	C09	0.5°	0.0°
C07	C12	C11	H11	180.0°	179.9°
C07	C12	C11	C10	0.6°	0.0°
C07	C12	C11	C13	179.5°	180.0°
C12	C07	C08	H9	179.5°	180.0°
C08	C09	C10	H10	180.0°	180.0°
C08	C09	C10	C11	0.3°	0.4°
C08	C09	C10	N15	178.8°	180.0°
C12	C11	C10	C09	0.0°	0.3°
C12	C11	C10	C13	179.9°	180.0°
C12	C11	C10	N15	179.3°	180.0°
C12	C11	C13	C24	0.3°	0.2°
C12	C11	C13	C14	179.9°	179.7°
O27	C25	C24	O26	179.4°	179.9°
O27	C25	C24	C13	95.9°	0.1°
O27	C25	C24	O28	86.1°	180.0°
O27	C25	O26	H15	0.0°	0.0°
C09	C10	C11	N15	179.3°	179.7°
C09	C10	C11	C13	179.9°	179.8°
C09	C10	N15	C14	179.4°	180.0°
C09	C10	N15	C16	3.1°	0.0°
C10	C09	C08	H9	179.9°	179.8°
C10	C11	C13	C24	179.8°	179.8°
C10	C11	C13	C14	0.0°	0.2°
C11	C10	N15	C14	1.4°	0.3°
C11	C10	N15	C16	177.7°	179.7°
C11	C10	C09	H10	179.7°	179.6°
C10	C11	C12	H11	179.4°	179.9°
C13	C11	C10	N15	0.8°	0.0°
C11	C13	C24	C25	26.7°	179.5°
C11	C13	C24	C14	179.8°	179.5°
C11	C13	C24	O28	155.4°	0.5°
C11	C13	C14	N15	0.8°	0.4°
C13	C11	C12	H11	0.5°	0.1°
C11	C13	C14	H12	179.2°	179.5°
C10	N15	C14	C13	1.4°	0.4°
C10	N15	C16	C17	97.1°	130.0°
C10	N15	C14	C16	176.4°	180.0°
C10	N15	C16	C21	83.3°	50.0°
N15	C10	C09	H10	1.2°	0.0°
C10	N15	C14	H12	178.6°	179.5°
C25	C24	C13	O28	177.9°	179.9°
C25	C24	C13	C14	153.1°	0.0°
C24	C25	O26	H15	179.4°	180.0°
O26	C25	C24	C13	84.6°	180.0°
O26	C25	C24	O28	93.3°	0.1°
C24	C13	C14	N15	179.0°	180.0°
C24	C13	C14	H12	1.0°	0.1°
C14	C13	C24	O28	24.8°	180.0°
C13	C14	N15	H12	180.0°	179.9°
C13	C14	N15	C16	177.8°	179.5°
C18	C17	C16	H1	180.0°	179.7°
C18	C17	C16	N15	179.9°	180.0°
C17	C18	C19	H13	180.0°	180.0°
C18	C17	C16	C21	0.4°	0.0°
C17	C18	C19	O23	179.5°	179.9°
C17	C18	C19	C20	0.1°	0.0°
C17	C16	N15	C14	78.8°	50.0°
C17	C16	N15	C21	179.7°	180.0°
C16	C17	C18	C19	0.2°	0.1°
C17	C16	C21	C20	0.6°	0.0°
C17	C16	C21	H3	179.3°	180.0°
C16	C17	C18	H13	179.8°	180.0°
C14	N15	C16	C21	100.8°	130.0°
N15	C16	C21	C20	179.7°	179.9°
N15	C16	C17	H1	0.1°	0.3°
N15	C16	C21	H3	0.3°	0.0°
C16	N15	C14	H12	2.3°	0.6°
C18	C19	O23	C20	179.6°	180.0°
C18	C19	C20	C21	0.3°	0.0°
C19	C18	C17	H1	179.8°	179.7°
C18	C19	C20	H2	179.6°	180.0°
C18	C19	O23	H14	180.0°	90.0°
C16	C21	C20	C19	0.6°	0.1°
C16	C21	C20	H3	180.0°	179.9°
C21	C16	C17	H1	179.6°	179.7°
C16	C21	C20	H2	179.4°	180.0°
O23	C19	C20	C21	179.3°	180.0°
O23	C19	C20	H2	0.7°	0.1°
O23	C19	C18	H13	0.5°	0.0°
C19	C20	C21	H2	180.0°	179.9°
C19	C20	C21	H3	179.4°	180.0°
C20	C19	C18	H13	179.9°	180.0°
C20	C19	O23	H14	0.4°	90.0°
H1	C17	C18	H13	0.2°	0.3°
H2	C20	C21	H3	0.6°	0.0°
H4	C01	C02	H5	0.7°	0.4°
H4	C01	C06	H8	0.0°	0.0°
H5	C02	C03	H6	0.6°	0.1°
H6	C03	C04	H7	0.2°	0.1°
H9	C08	C09	H10	0.0°	0.2°

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