KUC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F30	C18	sing	1.35Å	1.36Å
O12	C11	doub	1.22Å	1.19Å
C18	C15	sing	1.46Å	1.41Å	Aromatic
C18	C19	doub	1.36Å	1.39Å	Aromatic
C14	C15	doub	1.37Å	1.42Å	Aromatic
C14	N13	sing	1.36Å	1.33Å	Aromatic
C15	C16	sing	1.48Å	1.37Å	Aromatic
C19	C20	sing	1.40Å	1.40Å	Aromatic
C11	N13	sing	1.35Å	1.45Å
C11	C05	sing	1.47Å	1.51Å
N13	C17	sing	1.36Å	1.33Å	Aromatic
C04	C05	doub	1.40Å	1.38Å	Aromatic
C04	C03	sing	1.38Å	1.37Å	Aromatic
C16	C17	doub	1.37Å	1.42Å	Aromatic
C16	C21	sing	1.41Å	1.42Å	Aromatic
C05	C06	sing	1.39Å	1.39Å	Aromatic
C20	C21	doub	1.35Å	1.39Å	Aromatic
C03	C02	doub	1.39Å	1.38Å	Aromatic
C06	C01	doub	1.39Å	1.36Å	Aromatic
C02	C01	sing	1.40Å	1.40Å	Aromatic
C02	O07	sing	1.35Å	1.40Å
C01	C08	sing	1.47Å	1.52Å
C08	O09	doub	1.22Å	1.19Å
C08	N10	sing	1.35Å	1.43Å
C22	N10	sing	1.36Å	1.32Å	Aromatic
C22	C23	doub	1.37Å	1.41Å	Aromatic
N10	C25	sing	1.36Å	1.33Å	Aromatic
C26	C23	sing	1.41Å	1.41Å	Aromatic
C26	C27	doub	1.35Å	1.38Å	Aromatic
C23	C24	sing	1.48Å	1.38Å	Aromatic
C25	C24	doub	1.37Å	1.42Å	Aromatic
C24	C29	sing	1.41Å	1.41Å	Aromatic
C27	C28	sing	1.40Å	1.39Å	Aromatic
C28	C29	doub	1.36Å	1.39Å	Aromatic
C28	F31	sing	1.35Å	1.36Å
C03	H1	sing	1.08Å	1.08Å
C04	H2	sing	1.08Å	1.08Å
C06	H3	sing	1.08Å	1.08Å
O07	H4	sing	0.97Å	0.95Å
C14	H5	sing	1.08Å	1.08Å
C17	H6	sing	1.08Å	1.08Å
C19	H7	sing	1.08Å	1.08Å
C20	H8	sing	1.08Å	1.08Å
C21	H9	sing	1.08Å	1.08Å
C22	H10	sing	1.08Å	1.08Å
C25	H11	sing	1.08Å	1.08Å
C26	H12	sing	1.08Å	1.08Å
C27	H13	sing	1.08Å	1.08Å
C29	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F30	C18	C15	119.2°	120.6°
F30	C18	C19	120.6°	120.6°
O12	C11	N13	121.1°	120.0°
O12	C11	C05	119.5°	120.0°
C15	C18	C19	120.2°	118.8°
C18	C15	C14	133.3°	135.6°
C18	C15	C16	119.7°	118.2°
C18	C19	C20	119.8°	121.8°
C18	C19	H7	120.1°	119.1°
C15	C14	N13	108.0°	108.5°
C14	C15	C16	106.9°	106.3°
C15	C14	H5	126.0°	125.8°
C14	N13	C11	124.1°	124.7°
C14	N13	C17	110.1°	110.6°
N13	C14	H5	126.0°	125.7°
C15	C16	C17	106.0°	106.0°
C15	C16	C21	120.5°	118.5°
C19	C20	C21	120.4°	122.6°
C20	C19	H7	120.1°	119.1°
C19	C20	H8	119.8°	118.7°
N13	C11	C05	119.4°	120.0°
C11	N13	C17	125.7°	124.7°
C11	C05	C04	116.3°	120.0°
C11	C05	C06	121.9°	120.0°
N13	C17	C16	108.9°	108.6°
N13	C17	H6	125.6°	125.8°
C05	C04	C03	121.2°	120.2°
C04	C05	C06	121.8°	120.0°
C05	C04	H2	119.4°	119.9°
C04	C03	C02	117.4°	120.2°
C04	C03	H1	121.3°	119.9°
C03	C04	H2	119.4°	119.8°
C17	C16	C21	133.5°	135.4°
C16	C17	H6	125.5°	125.7°
C16	C21	C20	119.4°	120.1°
C16	C21	H9	120.3°	120.0°
C05	C06	C01	116.9°	119.8°
C05	C06	H3	121.5°	120.1°
C21	C20	H8	119.8°	118.7°
C20	C21	H9	120.3°	119.9°
C03	C02	C01	121.5°	120.0°
C03	C02	O07	116.4°	120.0°
C02	C03	H1	121.3°	119.9°
C06	C01	C02	121.1°	119.7°
C06	C01	C08	124.9°	120.1°
C01	C06	H3	121.5°	120.1°
C01	C02	O07	122.1°	120.0°
C02	C01	C08	113.8°	120.1°
C02	O07	H4	109.5°	113.9°
C01	C08	O09	119.8°	120.0°
C01	C08	N10	118.5°	120.0°
O09	C08	N10	121.4°	120.0°
C08	N10	C22	123.3°	124.7°
C08	N10	C25	124.6°	124.7°
N10	C22	C23	107.8°	108.5°
C22	N10	C25	112.2°	110.6°
N10	C22	H10	126.1°	125.7°
C22	C23	C26	132.5°	135.2°
C22	C23	C24	106.1°	106.2°
C23	C22	H10	126.1°	125.8°
N10	C25	C24	106.2°	108.6°
N10	C25	H11	126.9°	125.7°
C23	C26	C27	119.3°	119.5°
C26	C23	C24	121.4°	118.6°
C23	C26	H12	120.3°	120.2°
C26	C27	C28	119.3°	121.9°
C27	C26	H12	120.4°	120.2°
C26	C27	H13	120.4°	119.1°
C23	C24	C25	107.7°	106.1°
C23	C24	C29	119.2°	118.6°
C25	C24	C29	133.1°	135.3°
C24	C25	H11	126.8°	125.7°
C24	C29	C28	119.0°	119.5°
C24	C29	H14	120.5°	120.2°
C27	C28	C29	121.7°	121.8°
C27	C28	F31	118.8°	119.1°
C28	C27	H13	120.3°	119.0°
C29	C28	F31	119.5°	119.1°
C28	C29	H14	120.5°	120.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F30	C18	C15	C19	179.6°	180.0°
F30	C18	C15	C14	0.0°	0.0°
F30	C18	C15	C16	179.9°	180.0°
F30	C18	C19	C20	179.9°	180.0°
F30	C18	C19	H7	0.1°	0.0°
O12	C11	N13	C14	1.0°	154.4°
O12	C11	N13	C05	177.4°	180.0°
O12	C11	N13	C17	178.2°	25.3°
O12	C11	C05	C04	43.2°	159.1°
O12	C11	C05	C06	137.8°	21.1°
C18	C15	C14	C16	179.9°	179.9°
C18	C15	C14	N13	179.8°	180.0°
C15	C18	C19	C20	0.3°	0.1°
C18	C15	C16	C17	180.0°	179.8°
C18	C15	C16	C21	0.1°	0.0°
C18	C15	C14	H5	0.2°	0.1°
C15	C18	C19	H7	179.7°	180.0°
C19	C18	C15	C14	179.6°	180.0°
C19	C18	C15	C16	0.3°	0.1°
C18	C19	C20	H7	180.0°	179.9°
C18	C19	C20	C21	0.1°	0.0°
C18	C19	C20	H8	179.9°	180.0°
C15	C14	N13	H5	180.0°	179.9°
C15	C14	N13	C11	179.5°	180.0°
C15	C14	N13	C17	0.2°	0.2°
C14	C15	C16	C17	0.1°	0.3°
C14	C15	C16	C21	179.8°	180.0°
N13	C14	C15	C16	0.0°	0.0°
C14	N13	C11	C17	179.2°	179.8°
C14	N13	C11	C05	178.5°	25.5°
C14	N13	C17	C16	0.3°	0.4°
C14	N13	C17	H6	179.7°	179.7°
C15	C16	C17	N13	0.3°	0.4°
C15	C16	C17	C21	180.0°	179.7°
C15	C16	C21	C20	0.1°	0.0°
C16	C15	C14	H5	179.9°	180.0°
C15	C16	C17	H6	179.7°	179.7°
C15	C16	C21	H9	179.9°	180.0°
C19	C20	C21	C16	0.1°	0.0°
C19	C20	C21	H8	180.0°	180.0°
C19	C20	C21	H9	179.9°	180.0°
N13	C11	C05	C04	134.3°	20.9°
C11	N13	C17	C16	179.6°	179.8°
N13	C11	C05	C06	44.7°	158.8°
C11	N13	C14	H5	0.4°	0.1°
C11	N13	C17	H6	0.4°	0.1°
C05	C11	N13	C17	0.7°	154.7°
C11	C05	C04	C06	179.0°	179.8°
C11	C05	C04	C03	179.4°	180.0°
C11	C05	C06	C01	179.2°	179.7°
C11	C05	C04	H2	0.6°	0.2°
C11	C05	C06	H3	0.8°	0.2°
N13	C17	C16	H6	180.0°	179.9°
N13	C17	C16	C21	179.7°	179.9°
C17	N13	C14	H5	179.8°	179.7°
C05	C04	C03	H2	180.0°	179.8°
C05	C04	C03	C02	0.3°	0.1°
C04	C05	C06	C01	1.9°	0.5°
C05	C04	C03	H1	179.7°	179.9°
C04	C05	C06	H3	178.1°	180.0°
C03	C04	C05	C06	0.4°	0.2°
C04	C03	C02	H1	180.0°	179.9°
C04	C03	C02	C01	1.6°	0.0°
C04	C03	C02	O07	179.7°	179.9°
C17	C16	C21	C20	179.8°	179.6°
C17	C16	C21	H9	0.2°	0.4°
C16	C21	C20	H9	180.0°	180.0°
C21	C16	C17	H6	0.3°	0.0°
C16	C21	C20	H8	179.9°	180.0°
C05	C06	C01	H3	180.0°	179.5°
C05	C06	C01	C02	3.2°	0.5°
C05	C06	C01	C08	177.5°	179.7°
C06	C05	C04	H2	179.6°	180.0°
C21	C20	C19	H7	179.9°	179.9°
C03	C02	C01	C06	3.2°	0.2°
C03	C02	C01	O07	178.0°	180.0°
C03	C02	C01	C08	178.1°	180.0°
C02	C03	C04	H2	179.7°	179.7°
C03	C02	O07	H4	180.0°	90.0°
C06	C01	C02	C08	174.9°	179.7°
C06	C01	C02	O07	178.8°	179.8°
C06	C01	C08	O09	63.5°	75.2°
C06	C01	C08	N10	122.2°	104.8°
C02	C01	C08	O09	111.3°	104.6°
C02	C01	C08	N10	63.1°	75.4°
C01	C02	C03	H1	178.4°	179.9°
C02	C01	C06	H3	176.8°	179.9°
C01	C02	O07	H4	2.0°	90.0°
O07	C02	C01	C08	3.9°	0.1°
O07	C02	C03	H1	0.3°	0.0°
C01	C08	O09	N10	174.2°	180.0°
C01	C08	N10	C22	4.0°	5.3°
C01	C08	N10	C25	175.0°	175.0°
C08	C01	C06	H3	2.5°	0.2°
O09	C08	N10	C22	178.2°	174.7°
O09	C08	N10	C25	0.7°	5.0°
C08	N10	C22	C25	179.1°	179.7°
C08	N10	C22	C23	179.0°	180.0°
C08	N10	C25	C24	179.2°	179.9°
C08	N10	C22	H10	1.0°	0.0°
C08	N10	C25	H11	0.8°	0.1°
N10	C22	C23	H10	180.0°	180.0°
N10	C22	C23	C26	179.5°	179.9°
N10	C22	C23	C24	0.4°	0.0°
C22	N10	C25	C24	0.2°	0.4°
C22	N10	C25	H11	179.8°	179.8°
C23	C22	N10	C25	0.1°	0.2°
C22	C23	C26	C24	179.1°	179.9°
C22	C23	C26	C27	179.3°	180.0°
C22	C23	C24	C25	0.5°	0.2°
C22	C23	C24	C29	180.0°	180.0°
C22	C23	C26	H12	0.7°	0.2°
N10	C25	C24	C23	0.4°	0.3°
N10	C25	C24	H11	180.0°	179.8°
N10	C25	C24	C29	179.8°	179.9°
C25	N10	C22	H10	179.9°	179.8°
C23	C26	C27	H12	180.0°	179.9°
C26	C23	C24	C25	179.8°	179.7°
C26	C23	C24	C29	0.8°	0.1°
C23	C26	C27	C28	0.4°	0.0°
C26	C23	C22	H10	0.5°	0.1°
C23	C26	C27	H13	179.6°	179.9°
C27	C26	C23	C24	0.2°	0.1°
C26	C27	C28	H13	180.0°	179.9°
C26	C27	C28	C29	0.4°	0.0°
C26	C27	C28	F31	179.6°	180.0°
C23	C24	C25	C29	179.4°	179.8°
C23	C24	C29	C28	0.7°	0.1°
C24	C23	C22	H10	179.7°	180.0°
C23	C24	C25	H11	179.6°	179.8°
C24	C23	C26	H12	179.8°	179.9°
C23	C24	C29	H14	179.3°	180.0°
C25	C24	C29	C28	180.0°	179.7°
C25	C24	C29	H14	0.0°	0.3°
C24	C29	C28	C27	0.1°	0.0°
C24	C29	C28	H14	180.0°	180.0°
C24	C29	C28	F31	179.1°	180.0°
C29	C24	C25	H11	0.2°	0.0°
C27	C28	C29	F31	179.2°	180.0°
C28	C27	C26	H12	179.6°	179.9°
C27	C28	C29	H14	179.9°	180.0°
C29	C28	C27	H13	179.5°	180.0°
F31	C28	C27	H13	0.3°	0.0°
F31	C28	C29	H14	0.9°	0.0°
H1	C03	C04	H2	0.3°	0.2°
H7	C19	C20	H8	0.1°	0.0°
H8	C20	C21	H9	0.1°	0.0°
H12	C26	C27	H13	0.4°	0.1°

Release date:	2023-08-16
Definition date:	2020-05-18
Last modified:	2023-08-11
Release status:	REL
Processing site:	RCSB
Derived from:	6X0X