JBR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O26	C25	doub	1.22Å	1.26Å
C07	C06	doub	1.39Å	1.38Å	Aromatic
C07	C08	sing	1.36Å	1.38Å	Aromatic
C06	C05	sing	1.36Å	1.39Å	Aromatic
C25	O27	sing	1.35Å	1.26Å
C25	C24	sing	1.48Å	1.53Å
C08	C09	doub	1.41Å	1.40Å	Aromatic
C23	C24	doub	1.39Å	1.38Å	Aromatic
C23	C22	sing	1.40Å	1.40Å	Aromatic
C21	C22	doub	1.41Å	1.41Å	Aromatic
C21	C20	sing	1.36Å	1.38Å	Aromatic
C24	C28	sing	1.41Å	1.39Å	Aromatic
C05	C04	doub	1.40Å	1.40Å	Aromatic
C22	C17	sing	1.42Å	1.38Å	Aromatic
C20	C19	doub	1.39Å	1.39Å	Aromatic
C09	C04	sing	1.42Å	1.38Å	Aromatic
C09	C10	sing	1.40Å	1.40Å	Aromatic
C28	O29	sing	1.36Å	1.40Å
C28	C16	doub	1.36Å	1.40Å	Aromatic
C04	C03	sing	1.41Å	1.42Å	Aromatic
C17	C16	sing	1.40Å	1.42Å	Aromatic
C17	C18	doub	1.41Å	1.40Å	Aromatic
C19	C18	sing	1.36Å	1.38Å	Aromatic
C16	C15	sing	1.51Å	1.55Å
C10	C11	doub	1.39Å	1.38Å	Aromatic
C03	C15	sing	1.51Å	1.54Å
C03	C02	doub	1.36Å	1.38Å	Aromatic
C11	C02	sing	1.41Å	1.39Å	Aromatic
C11	C12	sing	1.47Å	1.53Å
C02	O01	sing	1.36Å	1.40Å
O13	C12	doub	1.21Å	1.25Å
C12	O14	sing	1.35Å	1.28Å
C05	H1	sing	1.08Å	1.08Å
C06	H2	sing	1.08Å	1.08Å
C07	H3	sing	1.08Å	1.08Å
C08	H4	sing	1.08Å	1.08Å
C10	H5	sing	1.08Å	1.08Å
C15	H6	sing	1.09Å	1.10Å
C15	H7	sing	1.09Å	1.10Å
C18	H8	sing	1.08Å	1.08Å
C19	H9	sing	1.08Å	1.08Å
C20	H10	sing	1.08Å	1.08Å
C21	H11	sing	1.08Å	1.08Å
C23	H12	sing	1.08Å	1.08Å
O01	H13	sing	0.97Å	0.95Å
O14	H14	sing	0.97Å	0.95Å
O27	H15	sing	0.97Å	0.95Å
O29	H16	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O26	C25	O27	120.2°	120.0°
O26	C25	C24	119.5°	120.0°
C06	C07	C08	121.1°	121.0°
C07	C06	C05	120.1°	121.0°
C07	C06	H2	120.0°	119.5°
C06	C07	H3	119.5°	119.5°
C07	C08	C09	118.7°	119.7°
C08	C07	H3	119.5°	119.5°
C07	C08	H4	120.7°	120.2°
C06	C05	C04	119.7°	119.7°
C06	C05	H1	120.1°	120.1°
C05	C06	H2	119.9°	119.5°
O27	C25	C24	120.3°	120.0°
C25	O27	H15	109.5°	117.0°
C25	C24	C23	119.0°	119.8°
C25	C24	C28	121.1°	119.8°
C08	C09	C04	121.0°	119.3°
C08	C09	C10	117.9°	121.1°
C09	C08	H4	120.6°	120.1°
C24	C23	C22	119.9°	119.5°
C23	C24	C28	119.9°	120.5°
C24	C23	H12	120.0°	120.3°
C23	C22	C21	118.7°	121.0°
C23	C22	C17	120.5°	119.6°
C22	C23	H12	120.0°	120.2°
C22	C21	C20	120.0°	119.6°
C21	C22	C17	120.8°	119.4°
C22	C21	H11	120.0°	120.2°
C21	C20	C19	119.1°	121.0°
C21	C20	H10	120.4°	119.5°
C20	C21	H11	120.0°	120.2°
C24	C28	O29	118.5°	119.7°
C24	C28	C16	121.1°	120.7°
C05	C04	C09	119.4°	119.3°
C05	C04	C03	121.1°	121.0°
C04	C05	H1	120.1°	120.2°
C22	C17	C16	120.0°	119.7°
C22	C17	C18	118.6°	119.2°
C20	C19	C18	121.2°	121.0°
C20	C19	H9	119.4°	119.5°
C19	C20	H10	120.4°	119.5°
C04	C09	C10	121.2°	119.6°
C09	C04	C03	119.5°	119.7°
C09	C10	C11	119.4°	119.5°
C09	C10	H5	120.3°	120.3°
O29	C28	C16	120.3°	119.7°
C28	O29	H16	109.5°	114.0°
C28	C16	C17	118.5°	120.0°
C28	C16	C15	119.5°	120.0°
C04	C03	C15	123.0°	120.0°
C04	C03	C02	118.6°	120.0°
C16	C17	C18	121.3°	121.0°
C17	C16	C15	122.0°	120.0°
C17	C18	C19	120.1°	119.7°
C17	C18	H8	119.9°	120.1°
C19	C18	H8	119.9°	120.2°
C18	C19	H9	119.4°	119.5°
C16	C15	C03	111.5°	109.5°
C16	C15	H6	108.9°	109.5°
C16	C15	H7	108.9°	109.5°
C10	C11	C02	119.8°	120.4°
C10	C11	C12	119.1°	119.8°
C11	C10	H5	120.3°	120.2°
C15	C03	C02	118.4°	120.0°
C03	C15	H6	108.9°	109.5°
C03	C15	H7	108.9°	109.4°
C03	C02	C11	121.6°	120.7°
C03	C02	O01	119.1°	119.7°
C02	C11	C12	121.1°	119.8°
C11	C02	O01	119.4°	119.7°
C11	C12	O13	119.0°	120.0°
C11	C12	O14	121.8°	120.0°
C02	O01	H13	109.5°	113.9°
O13	C12	O14	119.2°	120.0°
C12	O14	H14	109.5°	117.0°
H6	C15	H7	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O26	C25	O27	C24	179.9°	180.0°
O26	C25	C24	C23	39.8°	180.0°
O26	C25	C24	C28	140.4°	0.2°
O26	C25	O27	H15	0.0°	0.0°
C06	C07	C08	H3	180.0°	179.9°
C07	C06	C05	H2	180.0°	179.9°
C06	C07	C08	C09	2.2°	0.0°
C07	C06	C05	C04	0.8°	0.1°
C07	C06	C05	H1	179.2°	179.9°
C06	C07	C08	H4	177.8°	179.9°
C08	C07	C06	C05	1.9°	0.1°
C07	C08	C09	H4	180.0°	180.0°
C07	C08	C09	C04	1.5°	0.0°
C07	C08	C09	C10	178.3°	180.0°
C08	C07	C06	H2	178.0°	180.0°
C06	C05	C04	H1	180.0°	180.0°
C06	C05	C04	C09	0.1°	0.0°
C06	C05	C04	C03	179.8°	180.0°
C05	C06	C07	H3	178.1°	180.0°
O27	C25	C24	C23	140.3°	0.0°
O27	C25	C24	C28	39.6°	179.8°
C25	C24	C23	C28	179.8°	179.8°
C25	C24	C23	C22	179.9°	180.0°
C25	C24	C28	O29	0.1°	0.2°
C25	C24	C28	C16	179.6°	179.7°
C25	C24	C23	H12	0.1°	0.2°
C24	C25	O27	H15	179.9°	180.0°
C08	C09	C04	C05	0.4°	0.0°
C08	C09	C04	C10	179.8°	180.0°
C08	C09	C04	C03	179.9°	180.0°
C08	C09	C10	C11	179.5°	179.8°
C09	C08	C07	H3	177.8°	180.0°
C08	C09	C10	H5	0.5°	0.0°
C24	C23	C22	H12	180.0°	179.8°
C24	C23	C22	C21	179.9°	180.0°
C24	C23	C22	C17	0.2°	0.0°
C23	C24	C28	O29	179.9°	180.0°
C23	C24	C28	C16	0.2°	0.5°
C23	C22	C21	C17	179.8°	180.0°
C23	C22	C21	C20	179.9°	180.0°
C22	C23	C24	C28	0.3°	0.2°
C23	C22	C17	C16	0.2°	0.0°
C23	C22	C17	C18	179.7°	180.0°
C23	C22	C21	H11	0.1°	0.0°
C22	C21	C20	H11	180.0°	180.0°
C22	C21	C20	C19	0.2°	0.0°
C21	C22	C17	C16	179.6°	180.0°
C21	C22	C17	C18	0.2°	0.0°
C22	C21	C20	H10	179.8°	180.0°
C21	C22	C23	H12	0.1°	0.2°
C20	C21	C22	C17	0.0°	0.0°
C21	C20	C19	H10	180.0°	180.0°
C21	C20	C19	C18	0.3°	0.1°
C21	C20	C19	H9	179.7°	180.0°
C24	C28	O29	C16	179.7°	179.5°
C24	C28	C16	C17	0.7°	0.5°
C24	C28	C16	C15	178.9°	179.7°
C28	C24	C23	H12	179.8°	180.0°
C24	C28	O29	H16	180.0°	90.0°
C05	C04	C09	C03	179.7°	180.0°
C05	C04	C09	C10	179.4°	180.0°
C05	C04	C03	C15	1.5°	0.0°
C05	C04	C03	C02	180.0°	180.0°
C04	C05	C06	H2	179.1°	180.0°
C22	C17	C16	C28	0.7°	0.3°
C22	C17	C16	C18	179.4°	180.0°
C22	C17	C18	C19	0.1°	0.0°
C22	C17	C16	C15	178.9°	180.0°
C22	C17	C18	H8	179.8°	180.0°
C17	C22	C21	H11	180.0°	180.0°
C17	C22	C23	H12	179.8°	179.7°
C20	C19	C18	C17	0.1°	0.1°
C20	C19	C18	H9	180.0°	179.9°
C20	C19	C18	H8	179.9°	179.9°
C19	C20	C21	H11	179.8°	180.0°
C04	C09	C10	C11	0.7°	0.2°
C09	C04	C03	C15	178.8°	180.0°
C09	C04	C03	C02	0.3°	0.0°
C09	C04	C05	H1	179.9°	179.9°
C04	C09	C08	H4	178.5°	180.0°
C04	C09	C10	H5	179.3°	180.0°
C10	C09	C04	C03	0.3°	0.1°
C09	C10	C11	H5	180.0°	179.8°
C09	C10	C11	C02	0.5°	0.5°
C09	C10	C11	C12	180.0°	180.0°
C10	C09	C08	H4	1.7°	0.0°
O29	C28	C16	C17	179.6°	180.0°
O29	C28	C16	C15	1.3°	0.3°
C28	C16	C17	C15	178.2°	179.7°
C28	C16	C17	C18	179.9°	179.7°
C28	C16	C15	C03	121.4°	82.9°
C28	C16	C15	H6	1.1°	157.1°
C28	C16	C15	H7	118.3°	37.1°
C16	C28	O29	H16	0.3°	90.5°
C04	C03	C15	C16	54.4°	97.2°
C04	C03	C15	C02	178.5°	180.0°
C04	C03	C02	C11	0.5°	0.2°
C04	C03	C02	O01	180.0°	179.9°
C03	C04	C05	H1	0.3°	0.1°
C04	C03	C15	H6	65.9°	142.8°
C04	C03	C15	H7	174.7°	22.8°
C16	C17	C18	C19	179.6°	180.0°
C17	C16	C15	C03	56.8°	97.4°
C17	C16	C15	H6	177.1°	22.6°
C17	C16	C15	H7	63.5°	142.6°
C16	C17	C18	H8	0.4°	0.0°
C17	C18	C19	H8	180.0°	180.0°
C18	C17	C16	C15	1.7°	0.0°
C17	C18	C19	H9	179.9°	180.0°
C18	C19	C20	H10	179.7°	179.9°
C16	C15	C03	H6	120.3°	120.0°
C16	C15	C03	H7	120.3°	120.0°
C16	C15	C03	C02	124.1°	82.8°
C16	C15	H6	H7	119.1°	120.0°
C10	C11	C02	C03	0.1°	0.5°
C10	C11	C02	C12	179.5°	179.6°
C10	C11	C02	O01	179.6°	179.8°
C10	C11	C12	O13	8.1°	180.0°
C10	C11	C12	O14	171.4°	0.1°
C15	C03	C02	C11	179.1°	179.8°
C15	C03	C02	O01	1.5°	0.1°
C03	C15	H6	H7	119.1°	120.0°
C03	C02	C11	O01	179.5°	179.7°
C03	C02	C11	C12	179.4°	179.9°
C02	C03	C15	H6	115.6°	37.2°
C02	C03	C15	H7	3.8°	157.2°
C03	C02	O01	H13	180.0°	96.3°
C02	C11	C12	O13	172.4°	0.4°
C02	C11	C12	O14	8.1°	179.5°
C02	C11	C10	H5	179.5°	179.7°
C11	C02	O01	H13	0.5°	84.0°
C12	C11	C02	O01	0.1°	0.2°
C11	C12	O13	O14	179.5°	179.9°
C12	C11	C10	H5	0.0°	0.2°
C11	C12	O14	H14	179.5°	180.0°
O13	C12	O14	H14	0.0°	0.1°
H1	C05	C06	H2	0.8°	0.0°
H2	C06	C07	H3	2.0°	0.1°
H3	C07	C08	H4	2.2°	0.0°
H8	C18	C19	H9	0.1°	0.0°
H9	C19	C20	H10	0.3°	0.0°
H10	C20	C21	H11	0.2°	0.0°

Release date:	2022-01-19
Definition date:	2021-05-12
Last modified:	2022-01-14
Release status:	REL
Processing site:	PDBJ
Derived from:	7ERE