UJX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C02	sing	1.51Å	1.57Å
C09	C08	sing	1.53Å	1.60Å
O26	C02	doub	1.21Å	1.23Å
C02	N03	sing	1.35Å	1.50Å
C08	O07	sing	1.43Å	1.49Å
N03	C04	sing	1.38Å	1.54Å
O07	C06	sing	1.35Å	1.41Å
C04	O25	sing	1.34Å	1.41Å
C04	C05	doub	1.35Å	1.42Å
O22	C21	sing	1.36Å	1.38Å
C23	C21	doub	1.39Å	1.41Å	Aromatic
C23	C24	sing	1.39Å	1.45Å	Aromatic
O25	C24	sing	1.36Å	1.39Å
C06	C05	sing	1.41Å	1.58Å
C06	O10	doub	1.22Å	1.24Å
C21	C20	sing	1.39Å	1.42Å	Aromatic
C24	C18	doub	1.39Å	1.41Å	Aromatic
C05	C11	sing	1.51Å	1.67Å
C20	C19	doub	1.38Å	1.42Å	Aromatic
C18	C19	sing	1.38Å	1.43Å	Aromatic
C18	C11	sing	1.51Å	1.61Å
C11	C12	sing	1.51Å	1.65Å
C12	C13	doub	1.38Å	1.42Å	Aromatic
C12	C17	sing	1.39Å	1.45Å	Aromatic
C13	N14	sing	1.32Å	1.37Å	Aromatic
C17	C16	doub	1.39Å	1.43Å	Aromatic
N14	C15	doub	1.32Å	1.36Å	Aromatic
C16	C15	sing	1.38Å	1.42Å	Aromatic
C13	H1	sing	1.08Å	1.08Å
C15	H2	sing	1.08Å	1.08Å
C17	H3	sing	1.08Å	1.08Å
C20	H4	sing	1.08Å	1.08Å
C01	H5	sing	1.09Å	1.10Å
C01	H6	sing	1.09Å	1.10Å
C01	H7	sing	1.09Å	1.10Å
C08	H10	sing	1.09Å	1.10Å
C08	H11	sing	1.09Å	1.10Å
C09	H12	sing	1.09Å	1.10Å
C09	H13	sing	1.09Å	1.10Å
C09	H14	sing	1.09Å	1.10Å
C11	H15	sing	1.09Å	1.10Å
C16	H16	sing	1.08Å	1.08Å
C19	H17	sing	1.08Å	1.08Å
C23	H18	sing	1.08Å	1.08Å
N03	H19	sing	0.97Å	1.00Å
O22	H20	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	O26	115.6°	119.9°
C01	C02	N03	127.0°	120.0°
C02	C01	H5	109.5°	109.4°
C02	C01	H6	109.5°	109.5°
C02	C01	H7	109.5°	109.5°
C09	C08	O07	114.3°	109.5°
C09	C08	H10	108.2°	109.5°
C09	C08	H11	108.2°	109.4°
C08	C09	H12	109.5°	109.5°
C08	C09	H13	109.5°	109.5°
C08	C09	H14	109.5°	109.4°
O26	C02	N03	117.4°	120.0°
C02	N03	C04	131.4°	120.0°
C02	N03	H19	114.3°	120.0°
C08	O07	C06	121.9°	117.0°
O07	C08	H10	108.3°	109.5°
O07	C08	H11	108.3°	109.5°
N03	C04	O25	113.4°	119.0°
N03	C04	C05	126.5°	119.1°
C04	N03	H19	114.3°	120.0°
O07	C06	C05	119.3°	120.0°
O07	C06	O10	115.4°	120.0°
O25	C04	C05	118.5°	121.9°
C04	O25	C24	123.9°	119.9°
C04	C05	C06	121.5°	119.3°
C04	C05	C11	115.9°	121.3°
O22	C21	C23	120.6°	120.1°
O22	C21	C20	118.6°	120.0°
C21	O22	H20	109.5°	114.0°
C21	C23	C24	119.2°	120.1°
C23	C21	C20	120.8°	119.9°
C21	C23	H18	120.4°	119.9°
C23	C24	O25	120.1°	119.3°
C23	C24	C18	121.7°	119.8°
C24	C23	H18	120.4°	120.0°
O25	C24	C18	118.2°	120.9°
C05	C06	O10	125.3°	120.0°
C06	C05	C11	112.7°	119.4°
C21	C20	C19	118.2°	120.0°
C21	C20	H4	120.9°	120.0°
C24	C18	C19	116.9°	120.0°
C24	C18	C11	120.7°	120.5°
C05	C11	C18	112.2°	110.1°
C05	C11	C12	119.3°	109.3°
C05	C11	H15	104.2°	109.4°
C20	C19	C18	123.3°	120.3°
C19	C20	H4	120.9°	120.0°
C20	C19	H17	118.4°	119.9°
C19	C18	C11	122.4°	119.5°
C18	C19	H17	118.4°	119.9°
C18	C11	C12	110.6°	110.1°
C18	C11	H15	104.7°	108.6°
C11	C12	C13	119.7°	120.4°
C11	C12	C17	126.7°	120.4°
C12	C11	H15	104.3°	109.3°
C13	C12	C17	113.6°	119.2°
C12	C13	N14	124.8°	120.8°
C12	C13	H1	117.6°	119.6°
C12	C17	C16	121.9°	118.4°
C12	C17	H3	119.0°	120.8°
C13	N14	C15	120.6°	121.7°
N14	C13	H1	117.6°	119.6°
C17	C16	C15	118.8°	119.2°
C16	C17	H3	119.1°	120.8°
C17	C16	H16	120.6°	120.4°
N14	C15	C16	120.2°	120.7°
N14	C15	H2	119.9°	119.6°
C16	C15	H2	119.9°	119.7°
C15	C16	H16	120.6°	120.4°
H5	C01	H6	109.4°	109.5°
H5	C01	H7	109.5°	109.5°
H6	C01	H7	109.5°	109.5°
H10	C08	H11	109.4°	109.5°
H12	C09	H13	109.5°	109.5°
H12	C09	H14	109.5°	109.5°
H13	C09	H14	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	O26	N03	179.2°	180.0°
C01	C02	N03	C04	178.7°	180.0°
C02	C01	H5	H6	120.0°	120.0°
C02	C01	H5	H7	120.0°	120.0°
C02	C01	H6	H7	120.0°	120.0°
C01	C02	N03	H19	1.3°	0.0°
C09	C08	O07	H10	120.7°	120.0°
C09	C08	O07	H11	120.7°	120.0°
C09	C08	O07	C06	154.7°	180.0°
C09	C08	H10	H11	117.7°	120.0°
C08	C09	H12	H13	120.0°	120.0°
C08	C09	H12	H14	120.0°	120.0°
C08	C09	H13	H14	120.0°	120.0°
O26	C02	N03	C04	2.1°	0.0°
O26	C02	C01	H5	0.0°	120.0°
O26	C02	C01	H6	120.0°	0.0°
O26	C02	C01	H7	120.0°	120.0°
O26	C02	N03	H19	177.9°	180.0°
C02	N03	C04	H19	180.0°	180.0°
C02	N03	C04	O25	29.0°	5.1°
C02	N03	C04	C05	136.1°	174.9°
N03	C02	C01	H5	179.2°	60.0°
N03	C02	C01	H6	60.9°	180.0°
N03	C02	C01	H7	59.1°	60.0°
C08	O07	C06	C05	100.3°	180.0°
C08	O07	C06	O10	77.3°	0.0°
O07	C08	H10	H11	117.8°	120.0°
O07	C08	C09	H12	180.0°	60.0°
O07	C08	C09	H13	60.0°	180.0°
O07	C08	C09	H14	60.0°	60.0°
N03	C04	O25	C05	166.4°	180.0°
N03	C04	O25	C24	124.2°	160.6°
N03	C04	C05	C06	5.1°	0.1°
N03	C04	C05	C11	138.1°	179.5°
O07	C06	C05	C04	9.3°	79.8°
O07	C06	C05	O10	177.4°	180.0°
O07	C06	C05	C11	135.0°	99.8°
C06	O07	C08	H10	34.0°	60.0°
C06	O07	C08	H11	84.6°	60.0°
C04	O25	C24	C23	152.5°	160.3°
O25	C04	C05	C06	169.6°	180.0°
C04	O25	C24	C18	27.3°	19.3°
O25	C04	C05	C11	26.4°	0.4°
O25	C04	N03	H19	151.0°	174.9°
C05	C04	O25	C24	42.2°	19.4°
C04	C05	C06	C11	144.2°	179.6°
C04	C05	C06	O10	173.3°	100.2°
C04	C05	C11	C18	2.6°	17.7°
C04	C05	C11	C12	134.3°	103.3°
C04	C05	C11	H15	110.0°	137.0°
C05	C04	N03	H19	43.9°	5.1°
O22	C21	C23	C20	180.0°	180.0°
O22	C21	C23	C24	180.0°	179.9°
O22	C21	C20	C19	179.9°	180.0°
O22	C21	C20	H4	0.1°	0.3°
O22	C21	C23	H18	0.0°	0.1°
C21	C23	C24	H18	180.0°	179.9°
C21	C23	C24	O25	179.6°	179.8°
C21	C23	C24	C18	0.1°	0.2°
C23	C21	C20	C19	0.1°	0.1°
C23	C21	C20	H4	179.9°	179.7°
C23	C21	O22	H20	180.0°	90.0°
C23	C24	O25	C18	179.8°	179.6°
C24	C23	C21	C20	0.0°	0.1°
C23	C24	C18	C19	0.3°	0.4°
C23	C24	C18	C11	179.7°	180.0°
O25	C24	C18	C19	179.5°	180.0°
O25	C24	C18	C11	0.1°	0.4°
O25	C24	C23	H18	0.3°	0.1°
C06	C05	C11	C18	149.0°	162.7°
C06	C05	C11	C12	79.4°	76.2°
C06	C05	C11	H15	36.3°	43.4°
O10	C06	C05	C11	42.4°	80.2°
C21	C20	C19	H4	180.0°	179.7°
C21	C20	C19	C18	0.3°	0.2°
C21	C20	C19	H17	179.7°	179.7°
C20	C21	C23	H18	180.0°	180.0°
C20	C21	O22	H20	0.0°	90.0°
C24	C18	C11	C05	10.6°	17.5°
C24	C18	C19	C20	0.4°	0.4°
C24	C18	C19	C11	179.4°	179.6°
C24	C18	C11	C12	125.3°	103.1°
C24	C18	C11	H15	122.9°	137.2°
C24	C18	C19	H17	179.6°	179.5°
C18	C24	C23	H18	179.9°	179.7°
C05	C11	C18	C19	168.7°	163.0°
C05	C11	C18	C12	135.9°	120.6°
C05	C11	C18	H15	112.3°	119.7°
C05	C11	C12	H15	115.7°	119.7°
C05	C11	C12	C13	82.2°	60.0°
C05	C11	C12	C17	99.7°	120.1°
C20	C19	C18	H17	180.0°	179.9°
C20	C19	C18	C11	179.8°	180.0°
C19	C18	C11	C12	55.3°	76.4°
C18	C19	C20	H4	179.7°	179.9°
C19	C18	C11	H15	56.4°	43.2°
C18	C11	C12	H15	112.0°	119.2°
C18	C11	C12	C13	145.5°	61.0°
C18	C11	C12	C17	32.7°	118.9°
C11	C18	C19	H17	0.2°	0.1°
C11	C12	C13	C17	178.4°	180.0°
C11	C12	C13	N14	179.1°	179.9°
C11	C12	C17	C16	179.2°	179.5°
C11	C12	C13	H1	0.9°	0.3°
C11	C12	C17	H3	0.8°	0.2°
C12	C13	N14	H1	180.0°	179.8°
C13	C12	C17	C16	0.9°	0.5°
C12	C13	N14	C15	0.1°	0.2°
C13	C12	C17	H3	179.1°	179.8°
C13	C12	C11	H15	33.5°	179.7°
C17	C12	C13	N14	0.7°	0.0°
C12	C17	C16	H3	180.0°	179.3°
C12	C17	C16	C15	0.6°	0.7°
C17	C12	C13	H1	179.3°	179.8°
C17	C12	C11	H15	144.7°	0.3°
C12	C17	C16	H16	179.5°	179.3°
C13	N14	C15	C16	0.4°	0.0°
C13	N14	C15	H2	179.6°	180.0°
C17	C16	C15	N14	0.1°	0.5°
C17	C16	C15	H16	180.0°	180.0°
C17	C16	C15	H2	179.8°	179.5°
N14	C15	C16	H2	180.0°	180.0°
C15	N14	C13	H1	179.9°	180.0°
N14	C15	C16	H16	179.8°	179.5°
C15	C16	C17	H3	179.5°	180.0°
H2	C15	C16	H16	0.2°	0.5°
H3	C17	C16	H16	0.5°	0.0°
H4	C20	C19	H17	0.3°	0.0°
H5	C01	H6	H7	120.0°	120.0°
H10	C08	C09	H12	59.3°	180.0°
H10	C08	C09	H13	60.7°	60.0°
H10	C08	C09	H14	179.3°	60.0°
H11	C08	C09	H12	59.2°	60.0°
H11	C08	C09	H13	179.2°	60.0°
H11	C08	C09	H14	60.8°	180.0°
H12	C09	H13	H14	120.0°	120.0°

Release date:	2024-01-31
Definition date:	2023-02-06
Last modified:	2024-01-26
Release status:	REL
Processing site:	PDBE
Derived from:	8CGW