UYX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C28	C29	doub	1.39Å	1.40Å	Aromatic
C28	C25	sing	1.38Å	1.38Å	Aromatic
C29	C26	sing	1.38Å	1.37Å	Aromatic
C25	C21	doub	1.39Å	1.38Å	Aromatic
C26	C22	doub	1.39Å	1.37Å	Aromatic
C21	C22	sing	1.41Å	1.39Å	Aromatic
C21	C17	sing	1.47Å	1.38Å
C22	N07	sing	1.39Å	1.33Å
O03	C17	doub	1.22Å	1.15Å
C17	N06	sing	1.35Å	1.32Å
N07	C18	sing	1.34Å	1.35Å
N06	C18	sing	1.34Å	1.36Å
N06	C15	sing	1.46Å	1.51Å
C18	O04	doub	1.22Å	1.16Å
C15	C13	sing	1.53Å	1.53Å
C13	N05	sing	1.47Å	1.35Å
C12	N05	sing	1.47Å	1.30Å
C12	C10	sing	1.53Å	1.50Å
N05	C11	sing	1.47Å	1.30Å
C10	C08	sing	1.53Å	1.52Å
O02	C14	doub	1.21Å	1.17Å
C11	C09	sing	1.53Å	1.56Å
C08	C14	sing	1.51Å	1.55Å
C08	C09	sing	1.53Å	1.53Å
C14	C16	sing	1.47Å	1.56Å
C16	C19	doub	1.40Å	1.42Å	Aromatic
C16	C20	sing	1.40Å	1.40Å	Aromatic
C19	C23	sing	1.38Å	1.40Å	Aromatic
C20	C24	doub	1.38Å	1.39Å	Aromatic
C23	C27	doub	1.39Å	1.39Å	Aromatic
C24	C27	sing	1.39Å	1.39Å	Aromatic
C27	F01	sing	1.35Å	1.36Å
C10	H1	sing	1.09Å	1.10Å
C10	H2	sing	1.09Å	1.10Å
C13	H3	sing	1.09Å	1.10Å
C13	H4	sing	1.09Å	1.10Å
C15	H5	sing	1.09Å	1.10Å
C15	H6	sing	1.09Å	1.10Å
C20	H7	sing	1.08Å	1.08Å
C24	H8	sing	1.08Å	1.08Å
C26	H9	sing	1.08Å	1.08Å
C28	H10	sing	1.08Å	1.08Å
C08	H11	sing	1.09Å	1.10Å
C09	H12	sing	1.09Å	1.10Å
C09	H13	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
C11	H15	sing	1.09Å	1.10Å
C12	H16	sing	1.09Å	1.10Å
C12	H17	sing	1.09Å	1.10Å
C19	H18	sing	1.08Å	1.08Å
C23	H19	sing	1.08Å	1.08Å
C25	H20	sing	1.08Å	1.08Å
C29	H21	sing	1.08Å	1.08Å
N07	H23	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C29	C28	C25	120.1°	120.5°
C28	C29	C26	119.9°	120.6°
C29	C28	H10	120.0°	119.8°
C28	C29	H21	120.0°	119.7°
C28	C25	C21	119.9°	119.5°
C25	C28	H10	119.9°	119.8°
C28	C25	H20	120.0°	120.2°
C29	C26	C22	119.6°	119.7°
C29	C26	H9	120.2°	120.1°
C26	C29	H21	120.0°	119.7°
C25	C21	C22	119.2°	120.1°
C25	C21	C17	121.9°	121.7°
C21	C25	H20	120.1°	120.3°
C26	C22	C21	121.2°	119.7°
C26	C22	N07	120.0°	121.5°
C22	C26	H9	120.2°	120.2°
C22	C21	C17	118.9°	118.2°
C21	C22	N07	118.8°	118.8°
C21	C17	O03	119.5°	120.9°
C21	C17	N06	121.1°	118.3°
C22	N07	C18	121.2°	120.6°
C22	N07	H23	119.4°	119.7°
O03	C17	N06	119.4°	120.8°
C17	N06	C18	119.6°	121.3°
C17	N06	C15	117.9°	119.4°
N07	C18	N06	120.4°	122.8°
N07	C18	O04	118.0°	118.6°
C18	N07	H23	119.4°	119.6°
C18	N06	C15	122.5°	119.4°
N06	C18	O04	121.7°	118.6°
N06	C15	C13	113.8°	109.5°
N06	C15	H5	108.4°	109.5°
N06	C15	H6	108.4°	109.4°
C15	C13	N05	113.1°	109.5°
C15	C13	H3	108.5°	109.5°
C15	C13	H4	108.5°	109.5°
C13	C15	H5	108.4°	109.5°
C13	C15	H6	108.4°	109.4°
C13	N05	C12	109.5°	111.0°
C13	N05	C11	106.1°	111.0°
N05	C13	H3	108.6°	109.5°
N05	C13	H4	108.6°	109.5°
N05	C12	C10	113.7°	109.5°
C12	N05	C11	112.1°	111.2°
N05	C12	H16	108.4°	109.5°
N05	C12	H17	108.4°	109.5°
C12	C10	C08	112.6°	109.3°
C12	C10	H1	108.7°	109.6°
C12	C10	H2	108.7°	109.5°
C10	C12	H16	108.4°	109.5°
C10	C12	H17	108.4°	109.5°
N05	C11	C09	113.1°	109.5°
N05	C11	H14	108.6°	109.5°
N05	C11	H15	108.6°	109.4°
C10	C08	C14	108.4°	109.5°
C10	C08	C09	109.8°	109.1°
C08	C10	H1	108.7°	109.5°
C08	C10	H2	108.7°	109.5°
C10	C08	H11	109.5°	109.6°
O02	C14	C08	119.0°	120.0°
O02	C14	C16	119.2°	120.0°
C11	C09	C08	114.6°	109.3°
C11	C09	H12	108.2°	109.5°
C11	C09	H13	108.2°	109.5°
C09	C11	H14	108.6°	109.5°
C09	C11	H15	108.6°	109.5°
C14	C08	C09	110.6°	109.5°
C08	C14	C16	121.7°	120.0°
C14	C08	H11	109.1°	109.5°
C09	C08	H11	109.4°	109.6°
C08	C09	H12	108.2°	109.5°
C08	C09	H13	108.2°	109.5°
C14	C16	C19	119.8°	120.2°
C14	C16	C20	122.0°	120.1°
C19	C16	C20	118.2°	119.7°
C16	C19	C23	120.3°	119.8°
C16	C19	H18	119.8°	120.1°
C16	C20	C24	121.0°	119.9°
C16	C20	H7	119.5°	120.0°
C19	C23	C27	120.2°	120.2°
C23	C19	H18	119.8°	120.1°
C19	C23	H19	119.9°	119.9°
C20	C24	C27	120.4°	120.2°
C24	C20	H7	119.5°	120.1°
C20	C24	H8	119.8°	119.9°
C23	C27	C24	120.0°	120.3°
C23	C27	F01	120.1°	119.8°
C27	C23	H19	119.9°	119.9°
C24	C27	F01	119.9°	119.9°
C27	C24	H8	119.8°	119.9°
H1	C10	H2	109.5°	109.5°
H3	C13	H4	109.5°	109.5°
H5	C15	H6	109.5°	109.5°
H12	C09	H13	109.5°	109.5°
H14	C11	H15	109.4°	109.4°
H16	C12	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C29	C28	C25	H10	180.0°	179.9°
C28	C29	C26	H21	180.0°	180.0°
C29	C28	C25	C21	0.1°	0.1°
C28	C29	C26	C22	0.0°	0.0°
C28	C29	C26	H9	179.9°	180.0°
C29	C28	C25	H20	179.9°	180.0°
C25	C28	C29	C26	0.1°	0.1°
C28	C25	C21	H20	180.0°	179.9°
C28	C25	C21	C22	0.1°	0.1°
C28	C25	C21	C17	180.0°	180.0°
C25	C28	C29	H21	179.9°	179.9°
C29	C26	C22	H9	180.0°	180.0°
C29	C26	C22	C21	0.0°	0.0°
C29	C26	C22	N07	180.0°	180.0°
C26	C29	C28	H10	180.0°	180.0°
C25	C21	C22	C26	0.0°	0.0°
C25	C21	C22	C17	180.0°	179.9°
C25	C21	C22	N07	180.0°	179.9°
C25	C21	C17	O03	0.0°	0.2°
C25	C21	C17	N06	179.7°	180.0°
C21	C25	C28	H10	180.0°	180.0°
C26	C22	C21	N07	180.0°	180.0°
C26	C22	C21	C17	180.0°	180.0°
C26	C22	N07	C18	180.0°	180.0°
C22	C26	C29	H21	179.9°	180.0°
C26	C22	N07	H23	0.0°	0.0°
C22	C21	C17	O03	180.0°	179.7°
C22	C21	C17	N06	0.3°	0.0°
C21	C22	N07	C18	0.0°	0.0°
C21	C22	C26	H9	180.0°	180.0°
C22	C21	C25	H20	179.9°	180.0°
C21	C22	N07	H23	180.0°	180.0°
C17	C21	C22	N07	0.0°	0.0°
C21	C17	O03	N06	179.7°	179.8°
C21	C17	N06	C18	0.6°	0.1°
C21	C17	N06	C15	179.5°	180.0°
C17	C21	C25	H20	0.0°	0.1°
C22	N07	C18	H23	180.0°	180.0°
C22	N07	C18	N06	0.2°	0.0°
C22	N07	C18	O04	179.8°	180.0°
N07	C22	C26	H9	0.0°	0.0°
O03	C17	N06	C18	179.7°	179.7°
O03	C17	N06	C15	0.8°	0.2°
C17	N06	C18	N07	0.5°	0.1°
C17	N06	C18	C15	178.9°	179.9°
C17	N06	C18	O04	179.5°	180.0°
C17	N06	C15	C13	126.8°	90.0°
C17	N06	C15	H5	112.6°	30.0°
C17	N06	C15	H6	6.1°	150.0°
N07	C18	N06	O04	180.0°	179.9°
N07	C18	N06	C15	179.4°	180.0°
C18	N06	C15	C13	54.3°	90.0°
C18	N06	C15	H5	66.3°	150.0°
C18	N06	C15	H6	174.9°	29.9°
N06	C18	N07	H23	179.8°	180.0°
C15	N06	C18	O04	0.6°	0.1°
N06	C15	C13	H5	120.6°	120.0°
N06	C15	C13	H6	120.6°	119.9°
N06	C15	C13	N05	92.3°	180.0°
N06	C15	C13	H3	28.2°	60.0°
N06	C15	C13	H4	147.1°	60.0°
N06	C15	H5	H6	118.0°	120.0°
O04	C18	N07	H23	0.2°	0.0°
C15	C13	N05	H3	120.5°	120.0°
C15	C13	N05	H4	120.5°	120.0°
C15	C13	N05	C12	65.3°	170.0°
C15	C13	N05	C11	173.4°	65.8°
C15	C13	H3	H4	118.3°	120.0°
C13	C15	H5	H6	118.1°	120.0°
C13	N05	C12	C11	117.5°	124.1°
C13	N05	C12	C10	174.8°	174.1°
C13	N05	C11	C09	179.6°	174.2°
N05	C13	H3	H4	118.3°	120.0°
N05	C13	C15	H5	147.1°	60.0°
N05	C13	C15	H6	28.3°	60.0°
C13	N05	C11	H14	59.1°	65.8°
C13	N05	C11	H15	59.8°	54.1°
C13	N05	C12	H16	64.5°	54.2°
C13	N05	C12	H17	54.1°	65.8°
N05	C12	C10	H16	120.6°	120.0°
N05	C12	C10	H17	120.6°	120.0°
N05	C12	C10	C08	54.5°	59.2°
C12	N05	C11	C09	60.9°	61.8°
N05	C12	C10	H1	175.0°	60.7°
N05	C12	C10	H2	66.0°	179.1°
C12	N05	C13	H3	174.1°	69.9°
C12	N05	C13	H4	55.2°	50.0°
C12	N05	C11	H14	178.6°	58.3°
C12	N05	C11	H15	59.7°	178.2°
N05	C12	H16	H17	118.0°	120.0°
C10	C12	N05	C11	67.7°	61.8°
C12	C10	C08	H1	120.5°	120.0°
C12	C10	C08	H2	120.5°	119.9°
C12	C10	C08	C14	156.9°	177.6°
C12	C10	C08	C09	35.9°	57.7°
C12	C10	H1	H2	118.5°	120.2°
C12	C10	C08	H11	84.2°	62.3°
C10	C12	H16	H17	118.1°	120.0°
N05	C11	C09	H14	120.6°	120.1°
N05	C11	C09	H15	120.6°	120.0°
N05	C11	C09	C08	43.8°	59.2°
C11	N05	C13	H3	52.9°	54.2°
C11	N05	C13	H4	66.0°	174.2°
N05	C11	C09	H12	76.9°	179.2°
N05	C11	C09	H13	164.6°	60.7°
N05	C11	H14	H15	118.4°	119.9°
C11	N05	C12	H16	53.0°	178.2°
C11	N05	C12	H17	171.7°	58.2°
C10	C08	C14	O02	4.5°	30.0°
C10	C08	C09	C11	31.6°	57.7°
C10	C08	C14	C09	120.5°	119.7°
C10	C08	C14	H11	119.2°	120.2°
C10	C08	C09	H11	120.2°	120.0°
C10	C08	C14	C16	175.5°	150.0°
C08	C10	H1	H2	118.6°	120.0°
C10	C08	C09	H12	89.1°	177.6°
C10	C08	C09	H13	152.4°	62.3°
C08	C10	C12	H16	66.1°	179.2°
C08	C10	C12	H17	175.2°	60.8°
O02	C14	C08	C16	180.0°	180.0°
O02	C14	C08	C09	116.0°	89.7°
O02	C14	C16	C19	4.6°	0.1°
O02	C14	C16	C20	175.3°	180.0°
O02	C14	C08	H11	123.7°	150.2°
C11	C09	C08	C14	151.3°	177.6°
C11	C09	C08	H12	120.8°	120.0°
C11	C09	C08	H13	120.7°	120.0°
C11	C09	C08	H11	88.5°	62.3°
C11	C09	H12	H13	117.7°	120.1°
C09	C11	H14	H15	118.3°	120.0°
C14	C08	C09	H11	120.2°	120.1°
C08	C14	C16	C19	175.4°	180.0°
C08	C14	C16	C20	4.7°	0.0°
C14	C08	C10	H1	82.7°	57.6°
C14	C08	C10	H2	36.4°	62.5°
C14	C08	C09	H12	30.5°	62.5°
C14	C08	C09	H13	88.0°	57.6°
C09	C08	C14	C16	64.0°	90.3°
C09	C08	C10	H1	156.4°	62.3°
C09	C08	C10	H2	84.5°	177.6°
C08	C09	H12	H13	117.7°	120.1°
C08	C09	C11	H14	164.4°	60.9°
C08	C09	C11	H15	76.7°	179.2°
C14	C16	C19	C20	179.9°	180.0°
C14	C16	C19	C23	180.0°	180.0°
C14	C16	C20	C24	179.8°	180.0°
C14	C16	C20	H7	0.2°	0.3°
C16	C14	C08	H11	56.3°	29.9°
C14	C16	C19	H18	0.0°	0.0°
C16	C19	C23	H18	180.0°	180.0°
C19	C16	C20	C24	0.3°	0.0°
C16	C19	C23	C27	0.0°	0.2°
C19	C16	C20	H7	179.7°	179.7°
C16	C19	C23	H19	180.0°	180.0°
C20	C16	C19	C23	0.1°	0.0°
C16	C20	C24	H7	180.0°	179.7°
C16	C20	C24	C27	0.4°	0.3°
C16	C20	C24	H8	179.6°	179.7°
C20	C16	C19	H18	179.9°	180.0°
C19	C23	C27	H19	180.0°	179.8°
C19	C23	C27	C24	0.0°	0.5°
C19	C23	C27	F01	180.0°	180.0°
C20	C24	C27	C23	0.2°	0.5°
C20	C24	C27	H8	180.0°	180.0°
C20	C24	C27	F01	179.9°	180.0°
C23	C27	C24	F01	179.9°	179.5°
C23	C27	C24	H8	179.8°	179.5°
C27	C23	C19	H18	180.0°	179.8°
C27	C24	C20	H7	179.6°	179.9°
C24	C27	C23	H19	179.9°	179.7°
F01	C27	C24	H8	0.2°	0.0°
F01	C27	C23	H19	0.0°	0.2°
H1	C10	C08	H11	36.3°	177.7°
H1	C10	C12	H16	54.4°	59.3°
H1	C10	C12	H17	64.4°	179.3°
H2	C10	C08	H11	155.4°	57.6°
H2	C10	C12	H16	173.4°	60.9°
H2	C10	C12	H17	54.7°	59.1°
H3	C13	C15	H5	92.4°	60.0°
H3	C13	C15	H6	148.9°	180.0°
H4	C13	C15	H5	26.5°	180.0°
H4	C13	C15	H6	92.2°	60.0°
H7	C20	C24	H8	0.4°	0.1°
H9	C26	C29	H21	0.1°	0.0°
H10	C28	C25	H20	0.1°	0.1°
H10	C28	C29	H21	0.0°	0.1°
H11	C08	C09	H12	150.7°	57.6°
H11	C08	C09	H13	32.2°	177.7°
H12	C09	C11	H14	43.7°	59.1°
H12	C09	C11	H15	162.5°	60.8°
H13	C09	C11	H14	74.9°	179.2°
H13	C09	C11	H15	44.0°	59.3°
H18	C19	C23	H19	0.0°	0.0°

Release date:	2023-11-29
Definition date:	2023-06-27
Last modified:	2023-11-24
Release status:	REL
Processing site:	PDBJ
Derived from:	8JT9