FJW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F26	C25	sing	1.35Å	1.37Å
N27	C03	sing	1.39Å	1.46Å
C25	C24	doub	1.38Å	1.40Å	Aromatic
C25	C20	sing	1.38Å	1.40Å	Aromatic
C24	C23	sing	1.38Å	1.40Å	Aromatic
C19	C20	sing	1.51Å	1.55Å
C19	N12	sing	1.47Å	1.47Å
C20	C21	doub	1.38Å	1.40Å	Aromatic
C23	C22	doub	1.38Å	1.40Å	Aromatic
N11	N12	sing	1.40Å	1.34Å	Aromatic
N11	C10	doub	1.31Å	1.32Å	Aromatic
C03	N04	doub	1.33Å	1.33Å	Aromatic
C03	C02	sing	1.40Å	1.41Å	Aromatic
N04	C05	sing	1.33Å	1.32Å	Aromatic
C21	C22	sing	1.38Å	1.40Å	Aromatic
N12	C13	sing	1.37Å	1.36Å	Aromatic
C10	C05	sing	1.48Å	1.53Å
C10	C14	sing	1.47Å	1.46Å	Aromatic
C05	N06	doub	1.33Å	1.34Å	Aromatic
C02	C07	sing	1.51Å	1.54Å
C02	C01	doub	1.38Å	1.41Å	Aromatic
C07	C09	sing	1.53Å	1.53Å
C07	C08	sing	1.53Å	1.53Å
C13	C14	doub	1.41Å	1.40Å	Aromatic
C13	N15	sing	1.33Å	1.35Å	Aromatic
C09	C08	sing	1.53Å	1.54Å
C14	C18	sing	1.40Å	1.42Å	Aromatic
N06	C01	sing	1.32Å	1.34Å	Aromatic
N15	C16	doub	1.32Å	1.33Å	Aromatic
C18	C17	doub	1.37Å	1.41Å	Aromatic
C16	C17	sing	1.39Å	1.42Å	Aromatic
C17	H1	sing	1.08Å	1.08Å
C21	H2	sing	1.08Å	1.08Å
C22	H3	sing	1.08Å	1.08Å
C24	H4	sing	1.08Å	1.08Å
C01	H5	sing	1.08Å	1.08Å
C07	H6	sing	1.09Å	1.10Å
C08	H7	sing	1.09Å	1.10Å
C08	H8	sing	1.09Å	1.10Å
C16	H9	sing	1.08Å	1.08Å
C23	H10	sing	1.08Å	1.08Å
C09	H11	sing	1.09Å	1.10Å
C09	H12	sing	1.09Å	1.10Å
C18	H13	sing	1.08Å	1.08Å
C19	H14	sing	1.09Å	1.10Å
C19	H15	sing	1.09Å	1.10Å
N27	H16	sing	0.97Å	1.00Å
N27	H17	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F26	C25	C24	119.8°	120.0°
F26	C25	C20	119.9°	120.0°
N27	C03	N04	118.6°	120.5°
N27	C03	C02	121.7°	120.5°
C03	N27	H16	109.5°	120.0°
C03	N27	H17	109.5°	120.0°
C24	C25	C20	120.4°	120.0°
C25	C24	C23	119.9°	120.0°
C25	C24	H4	120.1°	120.0°
C25	C20	C19	119.7°	120.0°
C25	C20	C21	120.1°	119.9°
C24	C23	C22	119.6°	120.0°
C23	C24	H4	120.0°	120.1°
C24	C23	H10	120.2°	120.0°
C20	C19	N12	107.5°	109.4°
C19	C20	C21	120.3°	120.0°
C20	C19	H14	110.0°	109.5°
C20	C19	H15	110.0°	109.5°
C19	N12	N11	125.6°	125.3°
C19	N12	C13	123.9°	125.3°
N12	C19	H14	109.9°	109.5°
N12	C19	H15	109.9°	109.5°
C20	C21	C22	119.5°	120.0°
C20	C21	H2	120.3°	120.0°
C23	C22	C21	120.6°	120.0°
C23	C22	H3	119.7°	120.0°
C22	C23	H10	120.2°	120.0°
N12	N11	C10	109.4°	109.9°
N11	N12	C13	110.5°	109.4°
N11	C10	C05	125.0°	126.3°
N11	C10	C14	108.5°	107.4°
N04	C03	C02	119.8°	119.0°
C03	N04	C05	120.0°	120.6°
C03	C02	C07	121.0°	120.7°
C03	C02	C01	117.9°	118.5°
N04	C05	C10	116.6°	119.2°
N04	C05	N06	123.4°	121.6°
C22	C21	H2	120.2°	120.0°
C21	C22	H3	119.7°	120.0°
N12	C13	C14	107.8°	106.7°
N12	C13	N15	132.2°	133.4°
C05	C10	C14	126.5°	126.3°
C10	C05	N06	119.9°	119.2°
C10	C14	C13	103.8°	106.5°
C10	C14	C18	135.2°	134.2°
C05	N06	C01	119.5°	121.0°
C07	C02	C01	121.0°	120.7°
C02	C07	C09	125.7°	117.5°
C02	C07	C08	133.4°	117.5°
C02	C07	H6	109.4°	115.5°
C02	C01	N06	119.4°	119.3°
C02	C01	H5	120.3°	120.4°
C09	C07	C08	60.3°	60.0°
C07	C09	C08	60.1°	60.0°
C09	C07	H6	109.7°	117.5°
C07	C09	H11	120.0°	117.5°
C07	C09	H12	120.0°	117.5°
C07	C08	C09	59.6°	60.0°
C08	C07	H6	109.6°	117.6°
C07	C08	H7	120.0°	117.4°
C07	C08	H8	120.1°	117.5°
C14	C13	N15	120.1°	119.8°
C13	C14	C18	121.0°	119.4°
C13	N15	C16	121.4°	121.5°
C09	C08	H7	120.1°	117.5°
C09	C08	H8	120.1°	117.6°
C08	C09	H11	120.0°	117.5°
C08	C09	H12	120.0°	117.5°
C14	C18	C17	116.7°	118.1°
C14	C18	H13	121.6°	120.9°
N06	C01	H5	120.3°	120.3°
N15	C16	C17	121.2°	121.6°
N15	C16	H9	119.4°	119.2°
C18	C17	C16	119.6°	119.6°
C18	C17	H1	120.2°	120.2°
C17	C18	H13	121.6°	120.9°
C16	C17	H1	120.2°	120.2°
C17	C16	H9	119.4°	119.2°
H7	C08	H8	109.5°	115.5°
H11	C09	H12	109.5°	115.5°
H14	C19	H15	109.5°	109.4°
H16	N27	H17	109.4°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F26	C25	C24	C20	179.6°	179.9°
F26	C25	C24	C23	179.6°	180.0°
F26	C25	C20	C19	0.5°	0.3°
F26	C25	C20	C21	179.8°	180.0°
F26	C25	C24	H4	0.4°	0.0°
N27	C03	N04	C02	179.8°	179.9°
N27	C03	N04	C05	179.5°	180.0°
N27	C03	C02	C07	0.4°	0.0°
N27	C03	C02	C01	179.9°	180.0°
C03	N27	H16	H17	120.0°	179.9°
C25	C24	C23	H4	180.0°	180.0°
C24	C25	C20	C19	179.9°	179.7°
C24	C25	C20	C21	0.2°	0.1°
C25	C24	C23	C22	0.3°	0.0°
C25	C24	C23	H10	179.7°	180.0°
C20	C25	C24	C23	0.0°	0.0°
C25	C20	C19	C21	179.7°	179.7°
C25	C20	C19	N12	71.1°	80.3°
C25	C20	C21	C22	0.1°	0.1°
C25	C20	C21	H2	179.9°	180.0°
C20	C25	C24	H4	180.0°	180.0°
C25	C20	C19	H14	169.3°	39.7°
C25	C20	C19	H15	48.6°	159.7°
C24	C23	C22	H10	180.0°	180.0°
C24	C23	C22	C21	0.3°	0.0°
C24	C23	C22	H3	179.7°	180.0°
C20	C19	N12	H14	119.7°	120.0°
C20	C19	N12	H15	119.7°	120.0°
C20	C19	N12	N11	100.6°	90.0°
C19	C20	C21	C22	179.8°	179.7°
C20	C19	N12	C13	77.7°	90.2°
C19	C20	C21	H2	0.2°	0.3°
C20	C19	H14	H15	120.9°	120.0°
N12	C19	C20	C21	108.7°	100.0°
C19	N12	N11	C13	178.5°	179.8°
C19	N12	N11	C10	179.0°	180.0°
C19	N12	C13	C14	179.2°	179.8°
C19	N12	C13	N15	1.0°	0.0°
N12	C19	H14	H15	120.9°	120.0°
C20	C21	C22	C23	0.1°	0.0°
C20	C21	C22	H2	180.0°	180.0°
C20	C21	C22	H3	179.9°	179.9°
C21	C20	C19	H14	11.0°	140.0°
C21	C20	C19	H15	131.7°	20.0°
C23	C22	C21	H3	180.0°	179.9°
C23	C22	C21	H2	179.9°	180.0°
C22	C23	C24	H4	179.7°	180.0°
N12	N11	C10	C05	179.8°	180.0°
N12	N11	C10	C14	0.2°	0.3°
N11	N12	C13	C14	0.7°	0.0°
N11	N12	C13	N15	179.5°	179.7°
N11	N12	C19	H14	139.7°	30.0°
N11	N12	C19	H15	19.1°	149.9°
N11	C10	C05	N04	14.2°	0.9°
C10	N11	N12	C13	0.5°	0.2°
N11	C10	C05	C14	180.0°	179.6°
N11	C10	C05	N06	165.0°	179.7°
N11	C10	C14	C13	0.2°	0.3°
N11	C10	C14	C18	179.6°	179.8°
C03	N04	C05	C10	180.0°	179.7°
C03	N04	C05	N06	0.8°	0.4°
N04	C03	C02	C07	179.8°	180.0°
N04	C03	C02	C01	0.3°	0.0°
N04	C03	N27	H16	0.0°	0.1°
N04	C03	N27	H17	120.0°	180.0°
C02	C03	N04	C05	0.3°	0.1°
C03	C02	C07	C01	179.5°	180.0°
C03	C02	C07	C09	106.2°	120.0°
C03	C02	C07	C08	173.0°	171.4°
C03	C02	C01	N06	0.5°	0.3°
C03	C02	C01	H5	179.5°	180.0°
C03	C02	C07	H6	27.7°	25.7°
C02	C03	N27	H16	179.8°	180.0°
C02	C03	N27	H17	60.2°	0.0°
N04	C05	C10	N06	179.3°	179.4°
N04	C05	C10	C14	165.7°	179.4°
N04	C05	N06	C01	0.6°	0.6°
C21	C22	C23	H10	179.7°	180.0°
N12	C13	C14	C10	0.6°	0.2°
N12	C13	C14	N15	179.9°	179.8°
N12	C13	C14	C18	179.9°	179.9°
N12	C13	N15	C16	179.6°	179.9°
C13	N12	C19	H14	42.0°	149.7°
C13	N12	C19	H15	162.6°	29.8°
C05	C10	C14	C13	179.8°	180.0°
C05	C10	C14	C18	0.4°	0.1°
C10	C05	N06	C01	179.8°	180.0°
C14	C10	C05	N06	15.0°	0.1°
C10	C14	C13	C18	179.5°	179.9°
C10	C14	C13	N15	179.6°	180.0°
C10	C14	C18	C17	179.6°	180.0°
C10	C14	C18	H13	0.4°	0.2°
C05	N06	C01	C02	0.1°	0.6°
C05	N06	C01	H5	179.9°	179.6°
C02	C07	C09	C08	124.3°	107.5°
C02	C07	C09	H6	133.8°	145.0°
C02	C07	C08	H6	145.3°	145.0°
C07	C02	C01	N06	180.0°	179.7°
C07	C02	C01	H5	0.0°	0.1°
C02	C07	C08	H7	138.0°	145.0°
C02	C07	C08	H8	3.3°	0.1°
C02	C07	C09	H11	14.8°	0.0°
C02	C07	C09	H12	126.1°	145.0°
C01	C02	C07	C09	74.3°	60.0°
C01	C02	C07	C08	6.4°	8.6°
C02	C01	N06	H5	180.0°	179.8°
C01	C02	C07	H6	151.8°	154.3°
C09	C07	C08	H6	102.0°	107.5°
C07	C09	C08	H11	109.5°	107.5°
C07	C09	C08	H12	109.5°	107.5°
C09	C07	C08	H7	109.4°	107.5°
C09	C07	C08	H8	109.3°	107.6°
C07	C09	H11	H12	144.6°	145.7°
C07	C08	H7	H8	145.0°	145.7°
C14	C13	N15	C16	0.2°	0.2°
C13	C14	C18	C17	0.3°	0.1°
C13	C14	C18	H13	179.7°	180.0°
N15	C13	C14	C18	0.1°	0.1°
C13	N15	C16	C17	0.2°	0.2°
C13	N15	C16	H9	179.7°	180.0°
C09	C08	H7	H8	145.0°	145.7°
C08	C09	H11	H12	144.7°	145.7°
C14	C18	C17	H13	180.0°	179.9°
C14	C18	C17	C16	0.3°	0.1°
C14	C18	C17	H1	179.7°	180.0°
N15	C16	C17	C18	0.0°	0.1°
N15	C16	C17	H9	180.0°	179.9°
N15	C16	C17	H1	180.0°	179.9°
C18	C17	C16	H1	180.0°	179.9°
C18	C17	C16	H9	180.0°	180.0°
C16	C17	C18	H13	179.7°	180.0°
H1	C17	C16	H9	0.0°	0.1°
H1	C17	C18	H13	0.3°	0.1°
H2	C21	C22	H3	0.1°	0.0°
H3	C22	C23	H10	0.3°	0.0°
H4	C24	C23	H10	0.3°	0.0°
H6	C07	C08	H7	7.3°	0.0°
H6	C07	C08	H8	148.6°	144.9°
H6	C07	C09	H11	148.6°	145.0°
H6	C07	C09	H12	7.6°	0.1°
H7	C08	C09	H11	141.2°	145.0°
H7	C08	C09	H12	0.2°	0.0°
H8	C08	C09	H11	0.1°	0.0°
H8	C08	C09	H12	141.2°	145.0°

Release date:	2024-05-29
Definition date:	2023-07-25
Last modified:	2024-05-24
Release status:	REL
Processing site:	PDBC
Derived from:	8K4F