SGH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C02	sing	1.51Å	1.52Å
C03	C02	doub	1.38Å	1.39Å	Aromatic
C03	C04	sing	1.38Å	1.38Å	Aromatic
C02	C18	sing	1.38Å	1.39Å	Aromatic
F22	C19	sing	1.40Å	1.36Å
F20	C19	sing	1.40Å	1.36Å
C04	C05	doub	1.39Å	1.38Å	Aromatic
C18	C19	sing	1.51Å	1.53Å
C18	C17	doub	1.38Å	1.39Å	Aromatic
C19	F21	sing	1.40Å	1.36Å
C05	C17	sing	1.39Å	1.39Å	Aromatic
C05	N06	sing	1.40Å	1.46Å
N06	C16	sing	1.37Å	1.31Å	Aromatic
N06	C07	sing	1.37Å	1.34Å	Aromatic
C16	C15	doub	1.35Å	1.36Å	Aromatic
C13	C12	doub	1.38Å	1.38Å	Aromatic
C13	C08	sing	1.40Å	1.39Å	Aromatic
C12	C11	sing	1.38Å	1.39Å	Aromatic
C07	C08	sing	1.48Å	1.53Å
C07	N14	doub	1.31Å	1.35Å	Aromatic
C15	N14	sing	1.34Å	1.32Å	Aromatic
C08	C09	doub	1.39Å	1.38Å	Aromatic
C11	C10	doub	1.38Å	1.39Å	Aromatic
C09	C10	sing	1.38Å	1.38Å	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
C17	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	C03	119.0°	119.9°
C01	C02	C18	120.4°	120.0°
C02	C01	H1	109.5°	109.5°
C02	C01	H2	109.5°	109.5°
C02	C01	H3	109.5°	109.5°
C02	C03	C04	120.0°	120.1°
C03	C02	C18	120.7°	120.1°
C02	C03	H4	120.0°	119.9°
C03	C04	C05	120.0°	120.0°
C04	C03	H4	120.0°	120.0°
C03	C04	H5	120.0°	120.0°
C02	C18	C19	120.6°	119.9°
C02	C18	C17	119.1°	120.1°
F22	C19	F20	107.8°	109.5°
F22	C19	C18	112.7°	109.5°
F22	C19	F21	108.2°	109.4°
F20	C19	C18	110.4°	109.5°
F20	C19	F21	107.9°	109.4°
C04	C05	C17	120.1°	119.8°
C04	C05	N06	116.7°	120.1°
C05	C04	H5	120.0°	120.0°
C19	C18	C17	120.3°	120.0°
C18	C19	F21	109.8°	109.5°
C18	C17	C05	120.1°	119.9°
C18	C17	H13	119.9°	120.0°
C17	C05	N06	123.2°	120.1°
C05	C17	H13	119.9°	120.0°
C05	N06	C16	123.7°	126.5°
C05	N06	C07	128.1°	126.6°
C16	N06	C07	108.2°	106.9°
N06	C16	C15	108.3°	107.0°
N06	C16	H12	125.8°	126.5°
N06	C07	C08	128.0°	125.8°
N06	C07	N14	107.9°	108.3°
C16	C15	N14	107.5°	108.4°
C16	C15	H11	126.3°	125.7°
C15	C16	H12	125.8°	126.5°
C12	C13	C08	120.0°	119.9°
C13	C12	C11	119.8°	120.1°
C13	C12	H9	120.1°	120.0°
C12	C13	H10	120.0°	120.1°
C13	C08	C07	121.0°	120.1°
C13	C08	C09	120.2°	119.7°
C08	C13	H10	120.0°	120.0°
C12	C11	C10	120.1°	120.3°
C12	C11	H8	119.9°	119.9°
C11	C12	H9	120.1°	119.9°
C08	C07	N14	124.2°	125.9°
C07	C08	C09	118.8°	120.2°
C07	N14	C15	108.2°	109.3°
N14	C15	H11	126.3°	125.8°
C08	C09	C10	119.7°	119.9°
C08	C09	H6	120.1°	120.1°
C11	C10	C09	120.1°	120.1°
C11	C10	H7	120.0°	119.9°
C10	C11	H8	119.9°	119.8°
C10	C09	H6	120.1°	120.0°
C09	C10	H7	119.9°	120.0°
H1	C01	H2	109.5°	109.5°
H1	C01	H3	109.4°	109.4°
H2	C01	H3	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	C03	C18	179.6°	179.7°
C01	C02	C03	C04	179.9°	180.0°
C01	C02	C18	C19	0.2°	0.0°
C01	C02	C18	C17	179.7°	179.7°
C02	C01	H1	H2	120.0°	120.1°
C02	C01	H1	H3	120.0°	120.0°
C02	C01	H2	H3	120.0°	120.0°
C01	C02	C03	H4	0.1°	0.0°
C02	C03	C04	H4	180.0°	180.0°
C02	C03	C04	C05	0.2°	0.0°
C03	C02	C18	C19	179.4°	179.7°
C03	C02	C18	C17	0.1°	0.5°
C03	C02	C01	H1	90.2°	89.8°
C03	C02	C01	H2	149.8°	30.3°
C03	C02	C01	H3	29.8°	150.3°
C02	C03	C04	H5	179.8°	180.0°
C04	C03	C02	C18	0.3°	0.3°
C03	C04	C05	H5	180.0°	180.0°
C03	C04	C05	C17	0.0°	0.0°
C03	C04	C05	N06	180.0°	179.9°
C02	C18	C19	F22	61.1°	60.0°
C02	C18	C19	F20	59.5°	60.0°
C02	C18	C19	C17	179.5°	179.8°
C02	C18	C19	F21	178.2°	180.0°
C02	C18	C17	C05	0.1°	0.5°
C18	C02	C01	H1	90.2°	90.0°
C18	C02	C01	H2	29.8°	149.9°
C18	C02	C01	H3	149.8°	30.0°
C18	C02	C03	H4	179.7°	179.8°
C02	C18	C17	H13	179.9°	179.8°
F22	C19	F20	C18	123.4°	120.1°
F22	C19	F20	F21	116.6°	119.9°
F22	C19	C18	F21	120.7°	120.0°
F22	C19	C18	C17	119.4°	120.2°
F20	C19	C18	F21	118.8°	120.0°
F20	C19	C18	C17	120.0°	119.7°
C04	C05	C17	C18	0.1°	0.3°
C04	C05	C17	N06	180.0°	179.9°
C04	C05	N06	C16	58.5°	123.2°
C04	C05	N06	C07	119.1°	56.7°
C05	C04	C03	H4	179.8°	180.0°
C04	C05	C17	H13	179.8°	180.0°
C19	C18	C17	C05	179.6°	179.7°
C19	C18	C17	H13	0.4°	0.0°
C17	C18	C19	F21	1.3°	0.3°
C18	C17	C05	H13	180.0°	179.7°
C18	C17	C05	N06	179.8°	179.8°
C17	C05	N06	C16	121.5°	56.8°
C17	C05	N06	C07	60.9°	123.3°
C17	C05	C04	H5	180.0°	180.0°
C05	N06	C16	C07	178.0°	179.9°
C05	N06	C16	C15	179.0°	179.9°
C05	N06	C07	C08	1.8°	0.1°
C05	N06	C07	N14	178.9°	179.8°
N06	C05	C04	H5	0.0°	0.1°
C05	N06	C16	H12	0.9°	0.1°
N06	C05	C17	H13	0.2°	0.1°
N06	C16	C15	H12	180.0°	179.9°
C16	N06	C07	C08	179.6°	180.0°
C16	N06	C07	N14	1.1°	0.3°
N06	C16	C15	N14	0.7°	0.0°
N06	C16	C15	H11	179.3°	179.8°
C07	N06	C16	C15	1.1°	0.2°
N06	C07	C08	C13	40.8°	159.6°
N06	C07	C08	N14	179.2°	179.7°
N06	C07	N14	C15	0.6°	0.3°
N06	C07	C08	C09	139.9°	20.2°
C07	N06	C16	H12	178.9°	179.8°
C16	C15	N14	C07	0.0°	0.2°
C16	C15	N14	H11	180.0°	179.8°
C12	C13	C08	H10	180.0°	179.4°
C13	C12	C11	H9	180.0°	179.7°
C12	C13	C08	C07	179.8°	179.6°
C12	C13	C08	C09	0.5°	0.6°
C13	C12	C11	C10	0.1°	0.3°
C13	C12	C11	H8	179.9°	179.7°
C08	C13	C12	C11	0.4°	0.6°
C13	C08	C07	C09	179.3°	179.7°
C13	C08	C07	N14	140.0°	20.8°
C13	C08	C09	C10	0.4°	0.2°
C13	C08	C09	H6	179.6°	179.7°
C08	C13	C12	H9	179.6°	179.7°
C12	C11	C10	H8	180.0°	180.0°
C12	C11	C10	C09	0.0°	0.1°
C12	C11	C10	H7	180.0°	180.0°
C11	C12	C13	H10	179.6°	180.0°
C08	C07	N14	C15	180.0°	180.0°
C07	C08	C09	C10	179.7°	180.0°
C07	C08	C09	H6	0.3°	0.0°
C07	C08	C13	H10	0.2°	0.3°
N14	C07	C08	C09	39.3°	159.5°
C07	N14	C15	H11	179.9°	180.0°
N14	C15	C16	H12	179.3°	180.0°
C08	C09	C10	C11	0.1°	0.1°
C08	C09	C10	H6	180.0°	180.0°
C08	C09	C10	H7	179.9°	180.0°
C09	C08	C13	H10	179.5°	180.0°
C11	C10	C09	H7	180.0°	179.9°
C11	C10	C09	H6	179.8°	179.9°
C10	C11	C12	H9	179.8°	180.0°
C09	C10	C11	H8	180.0°	180.0°
H1	C01	H2	H3	120.0°	119.9°
H4	C03	C04	H5	0.2°	0.0°
H6	C09	C10	H7	0.2°	0.0°
H7	C10	C11	H8	0.0°	0.1°
H8	C11	C12	H9	0.1°	0.0°
H9	C12	C13	H10	0.4°	0.3°
H11	C15	C16	H12	0.7°	0.2°

Release date:	2021-06-16
Definition date:	2020-11-16
Last modified:	2021-06-11
Release status:	REL
Processing site:	PDBE
Derived from:	7AZ1