8DU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O08	C01	sing	1.36Å	1.37Å
C22	O21	sing	1.43Å	1.38Å
C01	C02	doub	1.39Å	1.39Å	Aromatic
C01	C06	sing	1.39Å	1.38Å	Aromatic
CL1	C06	sing	1.74Å	1.73Å
O21	C18	sing	1.36Å	1.38Å
C02	C03	sing	1.38Å	1.39Å	Aromatic
C06	C05	doub	1.38Å	1.39Å	Aromatic
C17	C18	doub	1.39Å	1.39Å	Aromatic
C17	C16	sing	1.38Å	1.39Å	Aromatic
C18	C19	sing	1.39Å	1.39Å	Aromatic
C16	C15	doub	1.39Å	1.40Å	Aromatic
C03	O07	sing	1.36Å	1.37Å
C03	C04	doub	1.40Å	1.38Å	Aromatic
C05	C04	sing	1.39Å	1.39Å	Aromatic
C19	C20	doub	1.38Å	1.38Å	Aromatic
C04	C10	sing	1.48Å	1.49Å
C15	C20	sing	1.39Å	1.38Å	Aromatic
C15	C14	sing	1.48Å	1.49Å
C27	C26	sing	1.53Å	1.49Å
C27	C25	sing	1.53Å	1.50Å
C10	C14	sing	1.47Å	1.46Å	Aromatic
C10	N11	doub	1.31Å	1.33Å	Aromatic
C14	C13	doub	1.39Å	1.44Å	Aromatic
C26	C25	sing	1.53Å	1.50Å
C25	C24	sing	1.51Å	1.50Å
N11	O12	sing	1.21Å	1.33Å	Aromatic
C13	O12	sing	1.34Å	1.30Å	Aromatic
C13	N23	sing	1.38Å	1.43Å
C24	N23	sing	1.35Å	1.43Å
C24	O28	doub	1.21Å	1.23Å
C02	H1	sing	1.08Å	1.08Å
C05	H2	sing	1.08Å	1.08Å
O07	H3	sing	0.97Å	0.95Å
O08	H4	sing	0.97Å	0.95Å
C16	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
C22	H9	sing	1.09Å	1.10Å
C22	H10	sing	1.09Å	1.10Å
C22	H11	sing	1.09Å	1.10Å
N23	H12	sing	0.97Å	1.00Å
C25	H13	sing	1.09Å	1.10Å
C26	H14	sing	1.09Å	1.10Å
C26	H15	sing	1.09Å	1.10Å
C27	H16	sing	1.09Å	1.10Å
C27	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O08	C01	C02	120.1°	119.9°
O08	C01	C06	119.6°	119.9°
C01	O08	H4	109.5°	114.0°
C22	O21	C18	119.1°	117.0°
O21	C22	H9	109.5°	109.4°
O21	C22	H10	109.5°	109.5°
O21	C22	H11	109.5°	109.5°
C02	C01	C06	120.2°	120.3°
C01	C02	C03	119.3°	120.0°
C01	C02	H1	120.3°	120.0°
C01	C06	CL1	119.0°	120.0°
C01	C06	C05	120.7°	120.1°
CL1	C06	C05	120.1°	119.9°
O21	C18	C17	121.3°	119.9°
O21	C18	C19	118.9°	119.9°
C02	C03	O07	120.3°	120.0°
C02	C03	C04	120.2°	119.9°
C03	C02	H1	120.4°	120.0°
C06	C05	C04	119.1°	120.0°
C06	C05	H2	120.5°	120.0°
C18	C17	C16	119.6°	120.1°
C17	C18	C19	119.8°	120.1°
C18	C17	H6	120.2°	120.0°
C17	C16	C15	120.2°	119.9°
C17	C16	H5	119.9°	120.1°
C16	C17	H6	120.2°	120.0°
C18	C19	C20	120.7°	120.1°
C18	C19	H7	119.7°	119.9°
C16	C15	C20	119.8°	119.9°
C16	C15	C14	121.5°	120.1°
C15	C16	H5	119.9°	120.0°
O07	C03	C04	119.3°	120.1°
C03	O07	H3	109.5°	114.0°
C03	C04	C05	120.5°	119.8°
C03	C04	C10	120.9°	120.1°
C05	C04	C10	118.6°	120.1°
C04	C05	H2	120.5°	120.0°
C19	C20	C15	119.8°	120.0°
C20	C19	H7	119.7°	120.0°
C19	C20	H8	120.1°	120.0°
C04	C10	C14	124.0°	127.3°
C04	C10	N11	129.8°	127.4°
C20	C15	C14	118.5°	120.1°
C15	C20	H8	120.1°	120.1°
C15	C14	C10	127.5°	128.6°
C15	C14	C13	128.5°	128.6°
C26	C27	C25	60.0°	60.0°
C27	C26	C25	60.0°	60.0°
C27	C26	H14	120.0°	117.5°
C27	C26	H15	120.0°	117.5°
C26	C27	H16	120.0°	117.5°
C26	C27	H17	120.0°	117.5°
C27	C25	C26	60.0°	60.1°
C27	C25	C24	112.2°	117.5°
C27	C25	H13	119.5°	117.5°
C25	C27	H16	120.0°	117.5°
C25	C27	H17	120.0°	117.5°
C14	C10	N11	106.1°	105.3°
C10	C14	C13	104.0°	102.8°
C10	N11	O12	110.6°	112.4°
C14	C13	O12	107.5°	106.3°
C14	C13	N23	126.1°	126.8°
C26	C25	C24	112.3°	117.5°
C26	C25	H13	119.5°	117.5°
C25	C26	H14	120.0°	117.5°
C25	C26	H15	120.0°	117.5°
C25	C24	N23	120.2°	120.0°
C25	C24	O28	120.9°	120.0°
C24	C25	H13	119.4°	115.6°
N11	O12	C13	111.8°	113.3°
O12	C13	N23	126.3°	126.9°
C13	N23	C24	124.9°	120.0°
C13	N23	H12	117.6°	120.1°
N23	C24	O28	117.5°	120.0°
C24	N23	H12	117.6°	120.0°
H9	C22	H10	109.5°	109.4°
H9	C22	H11	109.5°	109.4°
H10	C22	H11	109.5°	109.5°
H14	C26	H15	109.5°	115.6°
H16	C27	H17	109.5°	115.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O08	C01	C02	C06	177.2°	179.7°
O08	C01	C06	CL1	6.8°	0.3°
O08	C01	C02	C03	177.8°	179.7°
O08	C01	C06	C05	177.9°	179.8°
O08	C01	C02	H1	2.2°	0.2°
C22	O21	C18	C17	0.7°	180.0°
C22	O21	C18	C19	178.1°	0.0°
O21	C22	H9	H10	120.0°	120.0°
O21	C22	H9	H11	120.0°	120.0°
O21	C22	H10	H11	120.0°	120.1°
C02	C01	C06	CL1	176.0°	180.0°
C01	C02	C03	H1	180.0°	180.0°
C02	C01	C06	C05	0.7°	0.0°
C01	C02	C03	O07	176.2°	180.0°
C01	C02	C03	C04	1.0°	0.0°
C02	C01	O08	H4	180.0°	90.0°
C01	C06	CL1	C05	175.3°	180.0°
C06	C01	C02	C03	0.6°	0.0°
C01	C06	C05	C04	1.1°	0.0°
C06	C01	C02	H1	179.4°	179.9°
C01	C06	C05	H2	178.9°	179.9°
C06	C01	O08	H4	2.8°	90.3°
CL1	C06	C05	C04	176.3°	180.0°
CL1	C06	C05	H2	3.6°	0.0°
O21	C18	C17	C19	178.8°	180.0°
O21	C18	C17	C16	179.9°	180.0°
O21	C18	C19	C20	179.3°	180.0°
O21	C18	C17	H6	0.1°	0.0°
O21	C18	C19	H7	0.7°	0.0°
C18	O21	C22	H9	180.0°	60.0°
C18	O21	C22	H10	60.0°	59.9°
C18	O21	C22	H11	60.0°	180.0°
C02	C03	O07	C04	177.3°	180.0°
C02	C03	C04	C05	1.4°	0.0°
C02	C03	C04	C10	177.1°	180.0°
C02	C03	O07	H3	180.0°	90.0°
C06	C05	C04	C03	1.5°	0.0°
C06	C05	C04	H2	180.0°	180.0°
C06	C05	C04	C10	177.1°	180.0°
C18	C17	C16	H6	180.0°	180.0°
C18	C17	C16	C15	2.5°	0.0°
C17	C18	C19	C20	0.5°	0.0°
C18	C17	C16	H5	177.5°	180.0°
C17	C18	C19	H7	179.5°	180.0°
C16	C17	C18	C19	1.1°	0.0°
C17	C16	C15	H5	180.0°	180.0°
C17	C16	C15	C20	3.3°	0.0°
C17	C16	C15	C14	179.0°	179.7°
C18	C19	C20	H7	180.0°	180.0°
C18	C19	C20	C15	1.3°	0.0°
C19	C18	C17	H6	178.9°	180.0°
C18	C19	C20	H8	178.7°	179.7°
C16	C15	C20	C19	2.7°	0.0°
C16	C15	C20	C14	175.8°	179.8°
C16	C15	C14	C10	56.3°	64.7°
C16	C15	C14	C13	122.8°	115.2°
C15	C16	C17	H6	177.5°	180.0°
C16	C15	C20	H8	177.3°	179.8°
O07	C03	C04	C05	175.8°	180.0°
O07	C03	C04	C10	5.6°	0.0°
O07	C03	C02	H1	3.8°	0.0°
C03	C04	C05	C10	178.6°	180.0°
C03	C04	C10	C14	128.2°	180.0°
C03	C04	C10	N11	50.7°	0.3°
C04	C03	C02	H1	179.0°	180.0°
C03	C04	C05	H2	178.5°	180.0°
C04	C03	O07	H3	2.7°	90.0°
C05	C04	C10	C14	50.4°	0.0°
C05	C04	C10	N11	130.7°	179.7°
C19	C20	C15	H8	180.0°	179.8°
C19	C20	C15	C14	178.5°	179.8°
C04	C10	C14	C15	0.2°	0.0°
C04	C10	C14	N11	179.2°	179.7°
C04	C10	C14	C13	179.6°	180.0°
C04	C10	N11	O12	179.5°	180.0°
C10	C04	C05	H2	2.9°	0.0°
C20	C15	C14	C10	127.9°	115.0°
C20	C15	C14	C13	52.9°	65.1°
C20	C15	C16	H5	176.7°	180.0°
C15	C20	C19	H7	178.7°	180.0°
C15	C14	C10	C13	179.3°	179.9°
C15	C14	C10	N11	178.9°	179.7°
C15	C14	C13	O12	179.0°	179.8°
C15	C14	C13	N23	4.6°	0.3°
C14	C15	C16	H5	1.0°	0.3°
C14	C15	C20	H8	1.5°	0.0°
C26	C27	C25	H16	109.5°	107.5°
C26	C27	C25	H17	109.5°	107.5°
C27	C26	C25	H14	109.5°	107.5°
C27	C26	C25	H15	109.5°	107.5°
C26	C27	C25	C24	103.8°	107.5°
C26	C27	C25	H13	109.0°	107.5°
C27	C26	H14	H15	144.7°	145.7°
C26	C27	H16	H17	144.8°	145.7°
C27	C25	C24	H13	147.2°	145.6°
C27	C25	C24	N23	151.3°	111.2°
C27	C25	C24	O28	42.6°	68.8°
C25	C27	H16	H17	144.7°	145.7°
C14	C10	N11	O12	0.4°	0.2°
C10	C14	C13	O12	0.3°	0.2°
C10	C14	C13	N23	176.1°	179.8°
N11	C10	C14	C13	0.4°	0.2°
C10	N11	O12	C13	0.2°	0.1°
C14	C13	O12	N11	0.1°	0.0°
C14	C13	O12	N23	176.4°	179.9°
C14	C13	N23	C24	49.4°	180.0°
C14	C13	N23	H12	130.6°	0.0°
C26	C25	C24	H13	147.4°	145.7°
C26	C25	C24	N23	143.3°	179.9°
C26	C25	C24	O28	22.7°	0.1°
C25	C26	H14	H15	144.7°	145.7°
C25	C24	N23	C13	11.2°	180.0°
C25	C24	N23	O28	166.5°	180.0°
C25	C24	N23	H12	168.8°	0.0°
C24	C25	C26	H14	146.9°	0.0°
C24	C25	C26	H15	5.9°	145.0°
C24	C25	C27	H16	5.7°	145.0°
C24	C25	C27	H17	146.7°	0.1°
N11	O12	C13	N23	176.3°	179.9°
O12	C13	N23	C24	134.8°	0.0°
O12	C13	N23	H12	45.2°	180.0°
C13	N23	C24	H12	180.0°	180.0°
C13	N23	C24	O28	177.7°	0.0°
N23	C24	C25	H13	4.1°	34.4°
O28	C24	N23	H12	2.3°	180.0°
O28	C24	C25	H13	170.2°	145.6°
H5	C16	C17	H6	2.5°	0.0°
H7	C19	C20	H8	1.3°	0.2°
H9	C22	H10	H11	120.0°	120.0°
H13	C25	C26	H14	0.5°	145.0°
H13	C25	C26	H15	141.5°	0.0°
H13	C25	C27	H16	141.5°	0.1°
H13	C25	C27	H17	0.4°	145.0°
H14	C26	C27	H16	141.1°	145.0°
H14	C26	C27	H17	0.0°	0.0°
H15	C26	C27	H16	0.1°	0.0°
H15	C26	C27	H17	141.0°	145.0°

Release date:	2018-07-04
Definition date:	2017-06-15
Last modified:	2018-06-29
Release status:	REL
Processing site:	PDBJ
Derived from:	5XRB