7T0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F13	C12	sing	1.40Å	1.37Å
CL17	C16	sing	1.74Å	1.77Å
C12	F15	sing	1.40Å	1.36Å
C12	F14	sing	1.40Å	1.34Å
C12	C11	sing	1.51Å	1.54Å
C16	C11	doub	1.38Å	1.38Å	Aromatic
C16	C01	sing	1.39Å	1.38Å	Aromatic
C05	C06	doub	1.35Å	1.38Å	Aromatic
C05	N04	sing	1.34Å	1.33Å	Aromatic
C06	N02	sing	1.36Å	1.31Å	Aromatic
N04	N03	doub	1.29Å	1.36Å	Aromatic
C11	C09	sing	1.38Å	1.39Å	Aromatic
N02	N03	sing	1.29Å	1.35Å	Aromatic
N02	C01	sing	1.40Å	1.43Å
C01	C07	doub	1.39Å	1.38Å	Aromatic
C09	CL10	sing	1.74Å	1.77Å
C09	C08	doub	1.38Å	1.38Å	Aromatic
C07	C08	sing	1.38Å	1.37Å	Aromatic
C05	H1	sing	1.08Å	1.08Å
C06	H2	sing	1.08Å	1.08Å
C07	H3	sing	1.08Å	1.08Å
C08	H4	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F13	C12	F15	107.5°	109.4°
F13	C12	F14	106.8°	109.4°
F13	C12	C11	109.2°	109.4°
CL17	C16	C11	119.1°	120.1°
CL17	C16	C01	120.0°	120.0°
F15	C12	F14	108.2°	109.5°
F15	C12	C11	110.8°	109.5°
F14	C12	C11	114.1°	109.5°
C12	C11	C16	120.8°	120.0°
C12	C11	C09	122.6°	120.0°
C11	C16	C01	120.9°	119.9°
C16	C11	C09	116.6°	120.0°
C16	C01	N02	123.2°	120.0°
C16	C01	C07	122.0°	119.9°
C06	C05	N04	108.1°	106.5°
C05	C06	N02	107.2°	106.0°
C06	C05	H1	126.0°	126.7°
C05	C06	H2	126.4°	127.0°
C05	N04	N03	108.1°	109.0°
N04	C05	H1	126.0°	126.8°
C06	N02	N03	109.7°	108.1°
C06	N02	C01	128.1°	125.9°
N02	C06	H2	126.4°	127.0°
N04	N03	N02	106.9°	110.3°
C11	C09	CL10	120.9°	120.0°
C11	C09	C08	122.5°	120.1°
N03	N02	C01	122.2°	126.0°
N02	C01	C07	114.8°	120.1°
C01	C07	C08	117.8°	120.0°
C01	C07	H3	121.1°	120.0°
CL10	C09	C08	116.6°	119.9°
C09	C08	C07	120.3°	120.1°
C09	C08	H4	119.9°	119.9°
C08	C07	H3	121.1°	120.0°
C07	C08	H4	119.9°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F13	C12	F15	F14	115.0°	120.0°
F13	C12	F15	C11	119.2°	120.0°
F13	C12	F14	C11	120.7°	120.0°
F13	C12	C11	C16	46.1°	29.8°
F13	C12	C11	C09	132.9°	150.0°
CL17	C16	C11	C12	2.1°	0.3°
CL17	C16	C11	C01	179.3°	180.0°
CL17	C16	C11	C09	178.9°	180.0°
CL17	C16	C01	N02	0.0°	0.3°
CL17	C16	C01	C07	178.3°	180.0°
F15	C12	F14	C11	123.8°	120.1°
F15	C12	C11	C16	164.3°	149.7°
F15	C12	C11	C09	14.7°	30.1°
F14	C12	C11	C16	73.3°	90.2°
F14	C12	C11	C09	107.7°	90.0°
C12	C11	C16	C09	179.0°	179.8°
C12	C11	C16	C01	178.6°	179.7°
C12	C11	C09	CL10	2.0°	0.0°
C12	C11	C09	C08	179.4°	180.0°
C11	C16	C01	N02	179.3°	179.7°
C11	C16	C01	C07	1.1°	0.0°
C16	C11	C09	CL10	179.0°	179.7°
C16	C11	C09	C08	0.3°	0.2°
C16	C01	N02	C06	35.9°	179.8°
C01	C16	C11	C09	0.4°	0.0°
C16	C01	N02	N03	145.6°	0.3°
C16	C01	N02	C07	178.4°	179.8°
C16	C01	C07	C08	0.9°	0.2°
C16	C01	C07	H3	179.1°	180.0°
C06	C05	N04	H1	180.0°	179.7°
C05	C06	N02	H2	180.0°	180.0°
C06	C05	N04	N03	0.9°	0.0°
C05	C06	N02	N03	0.4°	0.0°
C05	C06	N02	C01	179.1°	180.0°
N04	C05	C06	N02	0.8°	0.0°
C05	N04	N03	N02	0.6°	0.0°
N04	C05	C06	H2	179.2°	180.0°
C06	N02	N03	N04	0.1°	0.0°
C06	N02	N03	C01	178.8°	179.9°
C06	N02	C01	C07	142.4°	0.0°
N02	C06	C05	H1	179.2°	179.7°
N04	N03	N02	C01	178.6°	180.0°
N03	N04	C05	H1	179.1°	179.7°
C11	C09	CL10	C08	178.7°	180.0°
C11	C09	C08	C07	0.5°	0.5°
C11	C09	C08	H4	179.5°	180.0°
N03	N02	C01	C07	36.1°	179.9°
N03	N02	C06	H2	179.6°	180.0°
N02	C01	C07	C08	179.3°	180.0°
C01	N02	C06	H2	0.9°	0.1°
N02	C01	C07	H3	0.7°	0.2°
C01	C07	C08	C09	0.1°	0.5°
C01	C07	C08	H3	180.0°	179.8°
C01	C07	C08	H4	179.9°	180.0°
CL10	C09	C08	C07	179.2°	179.5°
CL10	C09	C08	H4	0.8°	0.0°
C09	C08	C07	H4	180.0°	179.5°
C09	C08	C07	H3	179.9°	179.7°
H1	C05	C06	H2	0.9°	0.3°
H3	C07	C08	H4	0.1°	0.2°

Release date:	2022-09-07
Definition date:	2021-08-25
Last modified:	2022-09-02
Release status:	REL
Processing site:	PDBE
Derived from:	7PK3