AO0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C24	C23	sing	1.51Å	1.54Å
O25	C23	doub	1.21Å	1.17Å
C23	C22	sing	1.47Å	1.52Å
C22	C26	doub	1.40Å	1.38Å	Aromatic
C22	C21	sing	1.40Å	1.40Å	Aromatic
C26	C18	sing	1.39Å	1.40Å	Aromatic
C21	C20	doub	1.38Å	1.40Å	Aromatic
C18	N17	sing	1.40Å	1.44Å
C18	C19	doub	1.39Å	1.38Å	Aromatic
C05	C06	doub	1.38Å	1.39Å	Aromatic
C05	C04	sing	1.39Å	1.38Å	Aromatic
C20	C19	sing	1.38Å	1.40Å	Aromatic
N17	P02	sing	1.64Å	1.71Å
C06	C07	sing	1.38Å	1.38Å	Aromatic
O03	C04	sing	1.36Å	1.40Å
O03	P02	sing	1.61Å	1.64Å
C04	C09	doub	1.39Å	1.40Å	Aromatic
P02	O01	doub	1.48Å	1.46Å
P02	O10	sing	1.61Å	1.66Å
C07	C08	doub	1.38Å	1.39Å	Aromatic
C09	C08	sing	1.38Å	1.39Å	Aromatic
O10	C11	sing	1.36Å	1.41Å
C11	C12	doub	1.39Å	1.39Å	Aromatic
C11	C16	sing	1.39Å	1.39Å	Aromatic
C12	C13	sing	1.38Å	1.40Å	Aromatic
C16	C15	doub	1.38Å	1.41Å	Aromatic
C13	C14	doub	1.38Å	1.38Å	Aromatic
C15	C14	sing	1.38Å	1.38Å	Aromatic
C12	H1	sing	1.08Å	1.08Å
C14	H2	sing	1.08Å	1.08Å
C13	H3	sing	1.08Å	1.08Å
C05	H4	sing	1.08Å	1.08Å
C06	H5	sing	1.08Å	1.08Å
C07	H6	sing	1.08Å	1.08Å
C08	H7	sing	1.08Å	1.08Å
C09	H8	sing	1.08Å	1.08Å
C15	H9	sing	1.08Å	1.08Å
C16	H10	sing	1.08Å	1.08Å
C19	H11	sing	1.08Å	1.08Å
C20	H12	sing	1.08Å	1.08Å
C21	H13	sing	1.08Å	1.08Å
C24	H14	sing	1.09Å	1.10Å
C24	H15	sing	1.09Å	1.10Å
C24	H16	sing	1.09Å	1.10Å
C26	H17	sing	1.08Å	1.08Å
N17	H18	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C24	C23	O25	121.4°	120.0°
C24	C23	C22	121.2°	120.0°
C23	C24	H14	109.5°	109.4°
C23	C24	H15	109.5°	109.4°
C23	C24	H16	109.5°	109.4°
O25	C23	C22	117.3°	120.0°
C23	C22	C26	119.8°	120.1°
C23	C22	C21	118.5°	120.2°
C26	C22	C21	121.7°	119.7°
C22	C26	C18	121.4°	119.7°
C22	C26	H17	119.3°	120.1°
C22	C21	C20	115.5°	120.0°
C22	C21	H13	122.3°	120.0°
C26	C18	N17	118.6°	120.0°
C26	C18	C19	118.7°	120.0°
C18	C26	H17	119.3°	120.1°
C21	C20	C19	124.1°	120.2°
C21	C20	H12	117.9°	119.9°
C20	C21	H13	122.2°	120.0°
N17	C18	C19	122.6°	120.0°
C18	N17	P02	122.9°	120.0°
C18	N17	H18	106.0°	120.0°
C18	C19	C20	118.7°	120.3°
C18	C19	H11	120.7°	119.8°
C06	C05	C04	121.2°	119.9°
C05	C06	C07	119.4°	120.0°
C06	C05	H4	119.4°	120.0°
C05	C06	H5	120.3°	120.0°
C05	C04	O03	119.3°	120.0°
C05	C04	C09	119.2°	119.9°
C04	C05	H4	119.4°	120.1°
C20	C19	H11	120.7°	119.9°
C19	C20	H12	118.0°	119.9°
N17	P02	O03	103.6°	109.4°
N17	P02	O01	111.3°	109.5°
N17	P02	O10	113.7°	109.5°
P02	N17	H18	106.0°	120.0°
C06	C07	C08	120.2°	120.1°
C07	C06	H5	120.3°	120.0°
C06	C07	H6	119.9°	119.9°
C04	O03	P02	123.1°	114.0°
O03	C04	C09	121.5°	120.0°
O03	P02	O01	112.6°	109.4°
O03	P02	O10	102.8°	109.5°
C04	C09	C08	119.9°	119.9°
C04	C09	H8	120.0°	120.0°
O01	P02	O10	112.2°	109.5°
P02	O10	C11	124.0°	114.0°
C07	C08	C09	120.1°	120.0°
C08	C07	H6	119.9°	119.9°
C07	C08	H7	120.0°	120.0°
C09	C08	H7	120.0°	120.0°
C08	C09	H8	120.0°	120.0°
O10	C11	C12	120.8°	120.0°
O10	C11	C16	120.0°	120.1°
C12	C11	C16	119.3°	119.9°
C11	C12	C13	120.1°	119.9°
C11	C12	H1	120.0°	120.0°
C11	C16	C15	119.8°	119.9°
C11	C16	H10	120.1°	120.0°
C12	C13	C14	121.3°	120.1°
C13	C12	H1	119.9°	120.0°
C12	C13	H3	119.3°	119.9°
C16	C15	C14	121.1°	120.1°
C16	C15	H9	119.4°	119.9°
C15	C16	H10	120.1°	120.1°
C13	C14	C15	118.4°	120.1°
C13	C14	H2	120.8°	120.0°
C14	C13	H3	119.4°	120.0°
C15	C14	H2	120.8°	119.9°
C14	C15	H9	119.4°	120.0°
H14	C24	H15	109.4°	109.5°
H14	C24	H16	109.5°	109.5°
H15	C24	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C24	C23	O25	C22	176.7°	179.9°
C24	C23	C22	C26	13.3°	180.0°
C24	C23	C22	C21	164.7°	0.7°
C23	C24	H14	H15	120.0°	120.0°
C23	C24	H14	H16	120.0°	120.0°
C23	C24	H15	H16	120.0°	120.0°
O25	C23	C22	C26	170.0°	0.1°
O25	C23	C22	C21	11.9°	179.4°
O25	C23	C24	H14	0.0°	180.0°
O25	C23	C24	H15	120.0°	60.0°
O25	C23	C24	H16	120.0°	60.0°
C23	C22	C26	C21	178.0°	179.4°
C23	C22	C26	C18	179.9°	179.9°
C23	C22	C21	C20	178.9°	179.7°
C23	C22	C21	H13	1.1°	0.4°
C22	C23	C24	H14	176.6°	0.0°
C22	C23	C24	H15	63.5°	120.1°
C22	C23	C24	H16	56.6°	120.0°
C23	C22	C26	H17	0.1°	0.5°
C22	C26	C18	H17	180.0°	179.5°
C26	C22	C21	C20	0.9°	0.3°
C22	C26	C18	N17	179.9°	179.8°
C22	C26	C18	C19	1.6°	0.5°
C26	C22	C21	H13	179.1°	179.8°
C21	C22	C26	C18	2.2°	0.6°
C22	C21	C20	H13	180.0°	179.9°
C22	C21	C20	C19	0.9°	0.1°
C22	C21	C20	H12	179.1°	179.9°
C21	C22	C26	H17	177.8°	179.9°
C26	C18	N17	C19	178.4°	179.7°
C26	C18	C19	C20	0.2°	0.3°
C26	C18	N17	P02	178.7°	179.8°
C26	C18	C19	H11	179.8°	179.8°
C26	C18	N17	H18	56.9°	0.3°
C21	C20	C19	C18	1.5°	0.0°
C21	C20	C19	H12	180.0°	180.0°
C21	C20	C19	H11	178.5°	180.0°
N17	C18	C19	C20	178.3°	180.0°
C18	N17	P02	H18	121.9°	179.9°
C18	N17	P02	O03	59.7°	60.1°
C18	N17	P02	O01	179.0°	180.0°
C18	N17	P02	O10	51.0°	60.0°
N17	C18	C19	H11	1.7°	0.0°
N17	C18	C26	H17	0.1°	0.2°
C18	C19	C20	H11	180.0°	180.0°
C19	C18	N17	P02	0.3°	0.1°
C18	C19	C20	H12	178.5°	180.0°
C19	C18	C26	H17	178.4°	179.9°
C19	C18	N17	H18	121.6°	180.0°
C06	C05	C04	H4	180.0°	180.0°
C05	C06	C07	H5	180.0°	179.9°
C06	C05	C04	O03	178.6°	179.7°
C06	C05	C04	C09	0.1°	0.1°
C05	C06	C07	C08	0.0°	0.0°
C05	C06	C07	H6	180.0°	180.0°
C04	C05	C06	C07	0.1°	0.0°
C05	C04	O03	C09	178.4°	179.8°
C05	C04	O03	P02	119.0°	89.7°
C05	C04	C09	C08	0.3°	0.0°
C04	C05	C06	H5	179.9°	180.0°
C05	C04	C09	H8	179.7°	180.0°
C19	C20	C21	H13	179.1°	179.9°
N17	P02	O03	C04	168.4°	70.0°
N17	P02	O03	O01	120.4°	119.9°
N17	P02	O03	O10	118.6°	120.1°
N17	P02	O01	O10	128.8°	120.1°
N17	P02	O10	C11	46.5°	75.0°
C06	C07	C08	H6	180.0°	180.0°
C06	C07	C08	C09	0.2°	0.0°
C07	C06	C05	H4	180.0°	180.0°
C06	C07	C08	H7	179.8°	179.9°
C04	O03	P02	O01	48.0°	50.0°
C04	O03	P02	O10	73.0°	170.0°
O03	C04	C09	C08	178.7°	179.7°
O03	C04	C05	H4	1.4°	0.3°
O03	C04	C09	H8	1.3°	0.2°
P02	O03	C04	C09	62.6°	90.0°
O03	P02	O01	O10	115.4°	120.0°
O03	P02	O10	C11	157.8°	165.0°
O03	P02	N17	H18	62.1°	120.0°
C04	C09	C08	C07	0.3°	0.0°
C04	C09	C08	H8	180.0°	180.0°
C09	C04	C05	H4	179.9°	179.9°
C04	C09	C08	H7	179.7°	180.0°
O01	P02	O10	C11	81.0°	45.1°
O01	P02	N17	H18	59.2°	0.1°
P02	O10	C11	C12	53.6°	90.0°
P02	O10	C11	C16	125.3°	90.0°
O10	P02	N17	H18	172.9°	119.9°
C07	C08	C09	H7	180.0°	180.0°
C08	C07	C06	H5	180.0°	179.9°
C07	C08	C09	H8	179.6°	179.9°
C09	C08	C07	H6	179.8°	180.0°
O10	C11	C12	C16	178.9°	180.0°
O10	C11	C12	C13	179.5°	179.9°
O10	C11	C16	C15	178.8°	180.0°
O10	C11	C12	H1	0.5°	0.3°
O10	C11	C16	H10	1.3°	0.1°
C11	C12	C13	H1	180.0°	179.6°
C12	C11	C16	C15	2.4°	0.0°
C11	C12	C13	C14	0.9°	0.4°
C11	C12	C13	H3	179.1°	179.8°
C12	C11	C16	H10	177.6°	180.0°
C16	C11	C12	C13	0.7°	0.0°
C11	C16	C15	H10	180.0°	180.0°
C11	C16	C15	C14	2.6°	0.3°
C16	C11	C12	H1	179.4°	179.7°
C11	C16	C15	H9	177.4°	179.8°
C12	C13	C14	H3	180.0°	179.9°
C12	C13	C14	C15	0.7°	0.6°
C12	C13	C14	H2	179.3°	179.9°
C16	C15	C14	C13	1.0°	0.6°
C16	C15	C14	H9	180.0°	180.0°
C16	C15	C14	H2	179.0°	180.0°
C13	C14	C15	H2	180.0°	179.4°
C14	C13	C12	H1	179.1°	180.0°
C13	C14	C15	H9	179.0°	179.4°
C15	C14	C13	H3	179.3°	179.5°
C14	C15	C16	H10	177.4°	179.7°
H1	C12	C13	H3	0.9°	0.1°
H2	C14	C13	H3	0.7°	0.0°
H2	C14	C15	H9	1.0°	0.0°
H4	C05	C06	H5	0.1°	0.0°
H5	C06	C07	H6	0.0°	0.0°
H6	C07	C08	H7	0.2°	0.0°
H7	C08	C09	H8	0.3°	0.1°
H9	C15	C16	H10	2.6°	0.3°
H11	C19	C20	H12	1.5°	0.0°
H12	C20	C21	H13	0.9°	0.1°
H14	C24	H15	H16	120.0°	120.1°

Release date:	2024-05-15
Definition date:	2023-05-16
Last modified:	2024-05-10
Release status:	REL
Processing site:	PDBC
Derived from:	8JCN