SFW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C02	sing	1.51Å	1.53Å
C03	C02	doub	1.38Å	1.39Å	Aromatic
C03	C04	sing	1.38Å	1.38Å	Aromatic
C02	C22	sing	1.38Å	1.38Å	Aromatic
C04	C05	doub	1.39Å	1.39Å	Aromatic
C22	C17	doub	1.38Å	1.39Å	Aromatic
C05	C17	sing	1.39Å	1.39Å	Aromatic
C05	N06	sing	1.40Å	1.45Å
C17	C18	sing	1.51Å	1.53Å
N06	C16	sing	1.37Å	1.31Å	Aromatic
N06	C07	sing	1.37Å	1.34Å	Aromatic
F20	C18	sing	1.40Å	1.37Å
C16	C15	doub	1.35Å	1.36Å	Aromatic
C09	C10	doub	1.38Å	1.39Å	Aromatic
C09	C08	sing	1.40Å	1.39Å	Aromatic
C18	F19	sing	1.40Å	1.37Å
C18	F21	sing	1.40Å	1.36Å
C10	C11	sing	1.38Å	1.38Å	Aromatic
C07	C08	sing	1.48Å	1.53Å
C07	N14	doub	1.31Å	1.34Å	Aromatic
C08	C13	doub	1.40Å	1.39Å	Aromatic
C15	N14	sing	1.34Å	1.32Å	Aromatic
C11	C12	doub	1.38Å	1.39Å	Aromatic
C13	C12	sing	1.38Å	1.39Å	Aromatic
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C03	H4	sing	1.08Å	1.08Å
C04	H5	sing	1.08Å	1.08Å
C09	H6	sing	1.08Å	1.08Å
C10	H7	sing	1.08Å	1.08Å
C11	H8	sing	1.08Å	1.08Å
C12	H9	sing	1.08Å	1.08Å
C13	H10	sing	1.08Å	1.08Å
C15	H11	sing	1.08Å	1.08Å
C16	H12	sing	1.08Å	1.08Å
C22	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	C03	120.0°	120.0°
C01	C02	C22	119.8°	119.9°
C02	C01	H1	109.5°	109.5°
C02	C01	H2	109.5°	109.5°
C02	C01	H3	109.5°	109.5°
C02	C03	C04	119.9°	120.1°
C03	C02	C22	120.2°	120.1°
C02	C03	H4	120.1°	119.9°
C03	C04	C05	120.1°	120.0°
C04	C03	H4	120.1°	120.0°
C03	C04	H5	119.9°	120.1°
C02	C22	C17	120.2°	120.1°
C02	C22	H13	119.9°	120.0°
C04	C05	C17	120.1°	119.9°
C04	C05	N06	117.3°	120.1°
C05	C04	H5	119.9°	120.0°
C22	C17	C05	119.5°	119.9°
C22	C17	C18	118.7°	120.0°
C17	C22	H13	119.9°	120.0°
C17	C05	N06	122.5°	120.0°
C05	C17	C18	121.8°	120.1°
C05	N06	C16	123.2°	126.6°
C05	N06	C07	128.3°	126.5°
C17	C18	F20	108.9°	109.5°
C17	C18	F19	110.3°	109.5°
C17	C18	F21	109.7°	109.4°
C16	N06	C07	108.4°	106.9°
N06	C16	C15	108.3°	107.0°
N06	C16	H12	125.9°	126.5°
N06	C07	C08	129.0°	125.9°
N06	C07	N14	107.4°	108.3°
F20	C18	F19	109.5°	109.5°
F20	C18	F21	109.1°	109.5°
C16	C15	N14	107.5°	108.5°
C16	C15	H11	126.2°	125.8°
C15	C16	H12	125.8°	126.5°
C10	C09	C08	120.4°	119.9°
C09	C10	C11	119.8°	120.1°
C10	C09	H6	119.8°	120.1°
C09	C10	H7	120.1°	119.9°
C09	C08	C07	122.2°	120.1°
C09	C08	C13	119.5°	119.7°
C08	C09	H6	119.8°	120.1°
F19	C18	F21	109.4°	109.5°
C10	C11	C12	120.0°	120.3°
C11	C10	H7	120.1°	119.9°
C10	C11	H8	120.0°	119.8°
C08	C07	N14	123.6°	125.8°
C07	C08	C13	118.2°	120.2°
C07	N14	C15	108.4°	109.3°
C08	C13	C12	120.2°	119.9°
C08	C13	H10	119.9°	120.1°
N14	C15	H11	126.2°	125.8°
C11	C12	C13	120.1°	120.1°
C12	C11	H8	120.0°	119.9°
C11	C12	H9	120.0°	119.9°
C13	C12	H9	120.0°	119.9°
C12	C13	H10	119.9°	120.1°
H1	C01	H2	109.5°	109.4°
H1	C01	H3	109.4°	109.5°
H2	C01	H3	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	C03	C22	179.8°	179.7°
C01	C02	C03	C04	179.9°	180.0°
C01	C02	C22	C17	179.9°	179.8°
C02	C01	H1	H2	120.0°	120.0°
C02	C01	H1	H3	120.0°	120.0°
C02	C01	H2	H3	120.0°	120.0°
C01	C02	C03	H4	0.1°	0.0°
C01	C02	C22	H13	0.1°	0.0°
C02	C03	C04	H4	180.0°	179.9°
C02	C03	C04	C05	0.2°	0.1°
C03	C02	C22	C17	0.1°	0.5°
C03	C02	C01	H1	90.1°	89.7°
C03	C02	C01	H2	149.9°	30.3°
C03	C02	C01	H3	29.9°	150.3°
C02	C03	C04	H5	179.8°	180.0°
C03	C02	C22	H13	179.9°	179.7°
C04	C03	C02	C22	0.2°	0.3°
C03	C04	C05	H5	180.0°	180.0°
C03	C04	C05	C17	0.0°	0.0°
C03	C04	C05	N06	179.8°	180.0°
C02	C22	C17	H13	180.0°	179.8°
C02	C22	C17	C05	0.1°	0.5°
C02	C22	C17	C18	179.8°	179.7°
C22	C02	C01	H1	90.1°	90.0°
C22	C02	C01	H2	29.9°	150.0°
C22	C02	C01	H3	149.9°	30.0°
C22	C02	C03	H4	179.8°	179.7°
C04	C05	C17	C22	0.1°	0.2°
C04	C05	C17	N06	179.8°	180.0°
C04	C05	C17	C18	179.8°	180.0°
C04	C05	N06	C16	74.6°	105.0°
C04	C05	N06	C07	104.0°	74.9°
C05	C04	C03	H4	179.8°	180.0°
C22	C17	C05	C18	179.7°	179.8°
C22	C17	C05	N06	179.7°	179.8°
C22	C17	C18	F20	15.3°	114.4°
C22	C17	C18	F19	135.4°	5.7°
C22	C17	C18	F21	104.0°	125.7°
C17	C05	N06	C16	105.2°	75.0°
C17	C05	N06	C07	76.2°	105.1°
C05	C17	C18	F20	164.4°	65.8°
C05	C17	C18	F19	44.3°	174.1°
C05	C17	C18	F21	76.3°	54.1°
C17	C05	C04	H5	180.0°	180.0°
C05	C17	C22	H13	179.9°	179.8°
N06	C05	C17	C18	0.0°	0.0°
C05	N06	C16	C07	178.8°	179.9°
C05	N06	C16	C15	179.4°	179.8°
C05	N06	C07	C08	1.1°	0.1°
C05	N06	C07	N14	179.3°	179.7°
N06	C05	C04	H5	0.2°	0.0°
C05	N06	C16	H12	0.6°	0.2°
C17	C18	F20	F19	120.6°	120.0°
C17	C18	F20	F21	119.7°	119.9°
C17	C18	F19	F21	120.8°	119.9°
C18	C17	C22	H13	0.2°	0.1°
N06	C16	C15	H12	180.0°	180.0°
C16	N06	C07	C08	179.9°	180.0°
C16	N06	C07	N14	0.6°	0.2°
N06	C16	C15	N14	0.3°	0.1°
N06	C16	C15	H11	179.7°	179.9°
C07	N06	C16	C15	0.5°	0.2°
N06	C07	C08	C09	20.0°	15.5°
N06	C07	C08	N14	179.5°	179.8°
N06	C07	C08	C13	160.6°	164.8°
N06	C07	N14	C15	0.4°	0.2°
C07	N06	C16	H12	179.5°	179.9°
F20	C18	F19	F21	119.5°	120.0°
C16	C15	N14	C07	0.1°	0.1°
C16	C15	N14	H11	180.0°	180.0°
C10	C09	C08	H6	180.0°	180.0°
C09	C10	C11	H7	180.0°	180.0°
C10	C09	C08	C07	179.9°	180.0°
C10	C09	C08	C13	0.6°	0.3°
C09	C10	C11	C12	0.2°	0.0°
C09	C10	C11	H8	179.8°	180.0°
C08	C09	C10	C11	0.5°	0.0°
C09	C08	C07	C13	179.3°	179.8°
C09	C08	C07	N14	160.5°	164.7°
C09	C08	C13	C12	0.4°	0.6°
C08	C09	C10	H7	179.5°	180.0°
C09	C08	C13	H10	179.6°	179.7°
C10	C11	C12	H8	180.0°	180.0°
C10	C11	C12	C13	0.0°	0.3°
C11	C10	C09	H6	179.5°	179.9°
C10	C11	C12	H9	180.0°	180.0°
C08	C07	N14	C15	180.0°	180.0°
C07	C08	C13	C12	179.8°	179.7°
C07	C08	C09	H6	0.1°	0.0°
C07	C08	C13	H10	0.2°	0.0°
N14	C07	C08	C13	18.8°	15.0°
C07	N14	C15	H11	179.9°	180.0°
C08	C13	C12	C11	0.1°	0.6°
C08	C13	C12	H10	180.0°	179.7°
C13	C08	C09	H6	179.4°	179.8°
C08	C13	C12	H9	179.9°	179.7°
N14	C15	C16	H12	179.7°	180.0°
C11	C12	C13	H9	180.0°	179.7°
C12	C11	C10	H7	179.8°	180.0°
C11	C12	C13	H10	179.9°	179.7°
C13	C12	C11	H8	180.0°	179.7°
H1	C01	H2	H3	120.0°	120.0°
H4	C03	C04	H5	0.2°	0.0°
H6	C09	C10	H7	0.5°	0.0°
H7	C10	C11	H8	0.2°	0.0°
H8	C11	C12	H9	0.0°	0.0°
H9	C12	C13	H10	0.1°	0.0°
H11	C15	C16	H12	0.3°	0.1°

Release date:	2021-06-16
Definition date:	2020-11-16
Last modified:	2024-09-27
Release status:	REL
Processing site:	PDBE
Derived from:	7AZ2