9JW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C18	C17	doub	1.38Å	1.39Å	Aromatic
C18	C19	sing	1.38Å	1.39Å	Aromatic
C17	C16	sing	1.39Å	1.38Å	Aromatic
C19	C20	doub	1.39Å	1.38Å	Aromatic
C01	C02	doub	1.34Å	1.32Å
C16	C15	sing	1.48Å	1.40Å
C16	C22	doub	1.39Å	1.35Å	Aromatic
C15	N24	doub	1.33Å	1.31Å	Aromatic
C15	C14	sing	1.39Å	1.39Å	Aromatic
N24	C11	sing	1.33Å	1.31Å	Aromatic
C14	C13	doub	1.39Å	1.39Å	Aromatic
C11	C02	sing	1.48Å	1.51Å
C11	C12	doub	1.39Å	1.39Å	Aromatic
C20	C22	sing	1.39Å	1.40Å	Aromatic
C20	O21	sing	1.36Å	1.38Å
C02	C03	sing	1.48Å	1.51Å
C13	C12	sing	1.39Å	1.40Å	Aromatic
C22	F23	sing	1.35Å	1.36Å
C10	C03	doub	1.39Å	1.39Å	Aromatic
C10	C08	sing	1.38Å	1.39Å	Aromatic
C03	C04	sing	1.39Å	1.39Å	Aromatic
O09	C08	sing	1.36Å	1.39Å
C08	C06	doub	1.39Å	1.39Å	Aromatic
C04	C05	doub	1.38Å	1.38Å	Aromatic
C06	C05	sing	1.38Å	1.39Å	Aromatic
C06	F07	sing	1.35Å	1.37Å
C01	H1	sing	1.08Å	1.08Å
C01	H2	sing	1.08Å	1.08Å
C04	H3	sing	1.08Å	1.08Å
C05	H4	sing	1.08Å	1.08Å
O09	H5	sing	0.97Å	0.95Å
C10	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
C13	H8	sing	1.08Å	1.08Å
C14	H9	sing	1.08Å	1.08Å
C17	H10	sing	1.08Å	1.08Å
C18	H11	sing	1.08Å	1.08Å
C19	H12	sing	1.08Å	1.08Å
O21	H13	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C17	C18	C19	120.6°	120.2°
C18	C17	C16	121.7°	120.0°
C18	C17	H10	119.2°	120.0°
C17	C18	H11	119.7°	119.8°
C18	C19	C20	116.6°	120.2°
C19	C18	H11	119.7°	119.9°
C18	C19	H12	121.7°	119.8°
C17	C16	C15	120.1°	120.1°
C17	C16	C22	118.4°	119.8°
C16	C17	H10	119.2°	120.0°
C19	C20	C22	122.6°	120.0°
C19	C20	O21	119.7°	120.0°
C20	C19	H12	121.7°	119.9°
C01	C02	C11	120.9°	120.0°
C01	C02	C03	119.8°	120.0°
C02	C01	H1	120.0°	120.0°
C02	C01	H2	120.0°	120.0°
C15	C16	C22	121.4°	120.1°
C16	C15	N24	114.0°	119.7°
C16	C15	C14	125.4°	119.7°
C16	C22	C20	120.2°	119.8°
C16	C22	F23	117.4°	120.1°
N24	C15	C14	120.7°	120.7°
C15	N24	C11	122.1°	121.5°
C15	C14	C13	118.7°	119.3°
C15	C14	H9	120.7°	120.4°
N24	C11	C02	118.5°	119.6°
N24	C11	C12	121.4°	120.7°
C14	C13	C12	119.3°	118.6°
C14	C13	H8	120.4°	120.7°
C13	C14	H9	120.6°	120.3°
C02	C11	C12	120.1°	119.7°
C11	C02	C03	119.2°	120.0°
C11	C12	C13	117.8°	119.3°
C11	C12	H7	121.1°	120.4°
C22	C20	O21	117.8°	120.0°
C20	C22	F23	122.4°	120.1°
C20	O21	H13	109.5°	114.0°
C02	C03	C10	119.7°	120.0°
C02	C03	C04	118.7°	120.1°
C13	C12	H7	121.1°	120.3°
C12	C13	H8	120.3°	120.7°
C03	C10	C08	117.9°	119.8°
C10	C03	C04	121.6°	119.8°
C03	C10	H6	121.1°	120.1°
C10	C08	O09	118.3°	120.0°
C10	C08	C06	120.8°	120.0°
C08	C10	H6	121.0°	120.1°
C03	C04	C05	120.1°	120.0°
C03	C04	H3	120.0°	120.0°
O09	C08	C06	120.8°	120.0°
C08	O09	H5	109.5°	114.0°
C08	C06	C05	120.5°	120.1°
C08	C06	F07	119.6°	119.9°
C04	C05	C06	119.0°	120.2°
C05	C04	H3	119.9°	119.9°
C04	C05	H4	120.5°	119.9°
C05	C06	F07	119.8°	119.9°
C06	C05	H4	120.5°	119.9°
H1	C01	H2	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C17	C18	C19	H11	180.0°	179.9°
C18	C17	C16	H10	180.0°	180.0°
C17	C18	C19	C20	1.5°	0.0°
C18	C17	C16	C15	178.9°	180.0°
C18	C17	C16	C22	2.6°	0.3°
C17	C18	C19	H12	178.5°	180.0°
C19	C18	C17	C16	2.7°	0.1°
C18	C19	C20	H12	180.0°	180.0°
C18	C19	C20	C22	0.3°	0.3°
C18	C19	C20	O21	179.3°	179.9°
C19	C18	C17	H10	177.3°	179.9°
C17	C16	C15	C22	176.2°	179.8°
C17	C16	C15	N24	75.9°	179.7°
C17	C16	C15	C14	103.7°	0.3°
C17	C16	C22	C20	1.4°	0.6°
C17	C16	C22	F23	178.7°	179.8°
C16	C17	C18	H11	177.3°	179.9°
C19	C20	C22	C16	0.2°	0.6°
C19	C20	C22	O21	179.6°	179.6°
C19	C20	C22	F23	179.8°	179.7°
C20	C19	C18	H11	178.5°	179.9°
C19	C20	O21	H13	180.0°	90.0°
C01	C02	C11	N24	121.2°	179.7°
C01	C02	C11	C03	177.7°	179.9°
C01	C02	C11	C12	59.6°	0.1°
C01	C02	C03	C10	42.5°	65.3°
C01	C02	C03	C04	136.2°	115.0°
C02	C01	H1	H2	180.0°	179.8°
C16	C15	N24	C14	179.6°	179.4°
C16	C15	N24	C11	177.3°	180.0°
C16	C15	C14	C13	178.8°	179.7°
C15	C16	C22	C20	177.7°	179.6°
C15	C16	C22	F23	2.4°	0.0°
C16	C15	C14	H9	1.2°	0.3°
C15	C16	C17	H10	1.1°	0.0°
C22	C16	C15	N24	100.3°	0.0°
C22	C16	C15	C14	80.1°	179.5°
C16	C22	C20	F23	180.0°	179.7°
C16	C22	C20	O21	179.4°	179.8°
C22	C16	C17	H10	177.4°	179.8°
N24	C15	C14	C13	0.8°	0.3°
C15	N24	C11	C02	178.3°	179.8°
C15	N24	C11	C12	2.4°	0.6°
N24	C15	C14	H9	179.2°	179.7°
C14	C15	N24	C11	2.3°	0.6°
C15	C14	C13	H9	180.0°	180.0°
C15	C14	C13	C12	0.4°	0.0°
C15	C14	C13	H8	179.6°	180.0°
N24	C11	C02	C12	179.3°	179.6°
N24	C11	C02	C03	61.1°	0.4°
N24	C11	C12	C13	1.1°	0.3°
N24	C11	C12	H7	178.9°	179.8°
C14	C13	C12	C11	0.3°	0.0°
C14	C13	C12	H8	180.0°	180.0°
C14	C13	C12	H7	179.7°	180.0°
C02	C11	C12	C13	179.7°	180.0°
C11	C02	C03	C10	139.7°	114.8°
C11	C02	C03	C04	41.6°	65.0°
C11	C02	C01	H1	177.7°	0.1°
C11	C02	C01	H2	2.3°	179.7°
C02	C11	C12	H7	0.3°	0.1°
C12	C11	C02	C03	118.1°	180.0°
C11	C12	C13	H7	180.0°	179.9°
C11	C12	C13	H8	179.7°	179.9°
C22	C20	C19	H12	179.7°	179.7°
C22	C20	O21	H13	0.4°	89.7°
O21	C20	C22	F23	0.6°	0.1°
O21	C20	C19	H12	0.7°	0.1°
C02	C03	C10	C04	178.7°	179.7°
C02	C03	C10	C08	178.3°	179.8°
C02	C03	C04	C05	178.6°	179.9°
C03	C02	C01	H1	0.0°	180.0°
C03	C02	C01	H2	180.0°	0.2°
C02	C03	C04	H3	1.4°	0.0°
C02	C03	C10	H6	1.7°	0.0°
C12	C13	C14	H9	179.5°	180.0°
C03	C10	C08	H6	180.0°	179.7°
C03	C10	C08	O09	180.0°	179.8°
C03	C10	C08	C06	0.2°	0.5°
C10	C03	C04	C05	0.1°	0.2°
C10	C03	C04	H3	179.9°	179.8°
C08	C10	C03	C04	0.4°	0.5°
C10	C08	O09	C06	179.8°	179.7°
C10	C08	C06	C05	1.0°	0.2°
C10	C08	C06	F07	179.3°	179.8°
C10	C08	O09	H5	180.0°	89.8°
C03	C04	C05	H3	180.0°	180.0°
C03	C04	C05	C06	0.7°	0.1°
C03	C04	C05	H4	179.3°	180.0°
C04	C03	C10	H6	179.6°	179.8°
O09	C08	C06	C05	179.2°	180.0°
O09	C08	C06	F07	0.5°	0.1°
O09	C08	C10	H6	0.0°	0.0°
C08	C06	C05	C04	1.2°	0.0°
C08	C06	C05	F07	179.7°	180.0°
C08	C06	C05	H4	178.8°	180.0°
C06	C08	O09	H5	0.2°	89.9°
C06	C08	C10	H6	179.8°	179.7°
C04	C05	C06	H4	180.0°	179.9°
C04	C05	C06	F07	179.1°	179.9°
C06	C05	C04	H3	179.3°	180.0°
F07	C06	C05	H4	0.9°	0.0°
H3	C04	C05	H4	0.7°	0.0°
H7	C12	C13	H8	0.3°	0.0°
H8	C13	C14	H9	0.4°	0.0°
H10	C17	C18	H11	2.7°	0.1°
H11	C18	C19	H12	1.5°	0.1°

Release date:	2018-06-06
Definition date:	2017-05-26
Last modified:	2018-06-01
Release status:	REL
Processing site:	EBI
Derived from:	5O42