C5F

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	C15	sing	1.53Å	1.55Å
C16	C15	sing	1.53Å	1.55Å
C15	O03	sing	1.43Å	1.42Å
C15	C18	sing	1.51Å	1.54Å
O03	C14	sing	1.36Å	1.42Å
C12	C14	doub	1.39Å	1.53Å	Aromatic
C12	C10	sing	1.38Å	1.53Å	Aromatic
C14	C13	sing	1.39Å	1.53Å	Aromatic
C10	C09	doub	1.38Å	1.53Å	Aromatic
C18	O05	doub	1.21Å	1.26Å
C18	O04	sing	1.34Å	1.27Å
C13	C11	doub	1.38Å	1.53Å	Aromatic
C09	C11	sing	1.38Å	1.53Å	Aromatic
C09	C06	sing	1.51Å	1.54Å
C08	C06	sing	1.53Å	1.53Å
C08	C07	sing	1.53Å	1.53Å
C06	C07	sing	1.53Å	1.53Å
CL1	C07	sing	1.80Å	1.79Å
C07	CL2	sing	1.80Å	1.79Å
C06	H16	sing	1.09Å	1.10Å
C08	H82	sing	1.09Å	1.10Å
C08	H81	sing	1.09Å	1.10Å
C10	H10	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C12	H21	sing	1.08Å	1.08Å
C13	H31	sing	1.08Å	1.08Å
C16	H62	sing	1.09Å	1.10Å
C16	H61	sing	1.09Å	1.10Å
C16	H63	sing	1.09Å	1.10Å
C17	H72	sing	1.09Å	1.10Å
C17	H71	sing	1.09Å	1.10Å
C17	H73	sing	1.09Å	1.10Å
O04	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C17	C15	C16	109.0°	109.4°
C17	C15	O03	108.0°	109.5°
C17	C15	C18	108.2°	109.5°
C15	C17	H72	109.5°	109.5°
C15	C17	H71	109.5°	109.5°
C15	C17	H73	109.5°	109.5°
C16	C15	O03	112.3°	109.4°
C16	C15	C18	109.6°	109.5°
C15	C16	H62	109.5°	109.4°
C15	C16	H61	109.5°	109.4°
C15	C16	H63	109.5°	109.5°
O03	C15	C18	109.6°	109.5°
C15	O03	C14	117.1°	116.9°
C15	C18	O05	120.1°	119.9°
C15	C18	O04	119.7°	120.0°
O03	C14	C12	118.6°	120.0°
O03	C14	C13	121.2°	120.1°
C14	C12	C10	119.7°	120.0°
C12	C14	C13	120.2°	119.9°
C14	C12	H21	120.2°	120.0°
C12	C10	C09	120.2°	120.0°
C12	C10	H10	119.9°	120.0°
C10	C12	H21	120.2°	120.0°
C14	C13	C11	120.1°	119.9°
C14	C13	H31	120.0°	120.1°
C10	C09	C11	120.5°	120.1°
C10	C09	C06	119.0°	120.0°
C09	C10	H10	119.9°	120.0°
O05	C18	O04	120.3°	120.0°
C18	O04	H1	109.5°	117.0°
C13	C11	C09	119.5°	120.1°
C13	C11	H11	120.2°	120.0°
C11	C13	H31	120.0°	120.0°
C11	C09	C06	120.6°	120.0°
C09	C11	H11	120.3°	120.0°
C09	C06	C08	131.0°	117.5°
C09	C06	C07	127.8°	117.5°
C09	C06	H16	109.7°	115.6°
C06	C08	C07	59.9°	60.0°
C08	C06	C07	60.0°	60.0°
C08	C06	H16	109.9°	117.5°
C06	C08	H82	120.0°	117.5°
C06	C08	H81	120.0°	117.5°
C08	C07	C06	60.1°	60.0°
C08	C07	CL1	116.0°	117.5°
C08	C07	CL2	116.2°	117.5°
C07	C08	H82	120.0°	117.5°
C07	C08	H81	120.0°	117.5°
C06	C07	CL1	114.1°	117.5°
C06	C07	CL2	115.6°	117.5°
C07	C06	H16	109.9°	117.5°
CL1	C07	CL2	120.4°	115.6°
H82	C08	H81	109.5°	115.6°
H62	C16	H61	109.5°	109.4°
H62	C16	H63	109.5°	109.5°
H61	C16	H63	109.5°	109.5°
H72	C17	H71	109.5°	109.5°
H72	C17	H73	109.5°	109.5°
H71	C17	H73	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C17	C15	C16	O03	119.7°	119.9°
C17	C15	C16	C18	118.2°	120.0°
C17	C15	O03	C18	117.6°	120.0°
C17	C15	O03	C14	163.0°	60.2°
C17	C15	C18	O05	88.1°	120.0°
C17	C15	C18	O04	92.4°	60.0°
C17	C15	C16	H62	180.0°	175.8°
C17	C15	C16	H61	60.0°	55.9°
C17	C15	C16	H63	60.0°	64.2°
C15	C17	H72	H71	120.0°	120.0°
C15	C17	H72	H73	120.0°	120.0°
C15	C17	H71	H73	120.0°	120.0°
C16	C15	O03	C18	122.1°	120.1°
C16	C15	O03	C14	42.8°	179.9°
C16	C15	C18	O05	30.6°	120.0°
C16	C15	C18	O04	148.8°	60.0°
C15	C16	H62	H61	120.0°	119.9°
C15	C16	H62	H63	120.0°	120.0°
C15	C16	H61	H63	120.0°	120.0°
C16	C15	C17	H72	180.0°	51.5°
C16	C15	C17	H71	60.0°	68.5°
C16	C15	C17	H73	60.0°	171.5°
C15	O03	C14	C12	123.6°	175.0°
C15	O03	C14	C13	56.5°	4.7°
O03	C15	C18	O05	154.3°	0.0°
O03	C15	C18	O04	25.1°	180.0°
O03	C15	C16	H62	60.3°	64.3°
O03	C15	C16	H61	59.7°	175.8°
O03	C15	C16	H63	179.7°	55.8°
O03	C15	C17	H72	57.7°	68.4°
O03	C15	C17	H71	177.7°	171.5°
O03	C15	C17	H73	62.3°	51.6°
C18	C15	O03	C14	79.4°	59.9°
C15	C18	O05	O04	179.5°	179.9°
C18	C15	C16	H62	61.7°	55.8°
C18	C15	C16	H61	178.2°	64.1°
C18	C15	C16	H63	58.3°	175.8°
C18	C15	C17	H72	60.8°	171.5°
C18	C15	C17	H71	59.1°	51.5°
C18	C15	C17	H73	179.2°	68.5°
C15	C18	O04	H1	179.5°	180.0°
O03	C14	C12	C13	179.8°	179.7°
O03	C14	C12	C10	179.8°	180.0°
O03	C14	C13	C11	179.9°	179.7°
O03	C14	C12	H21	0.2°	0.2°
O03	C14	C13	H31	0.1°	0.3°
C14	C12	C10	H21	180.0°	179.8°
C14	C12	C10	C09	0.2°	0.0°
C12	C14	C13	C11	0.3°	0.6°
C14	C12	C10	H10	179.8°	180.0°
C12	C14	C13	H31	179.7°	180.0°
C10	C12	C14	C13	0.4°	0.3°
C12	C10	C09	H10	180.0°	180.0°
C12	C10	C09	C11	0.0°	0.0°
C12	C10	C09	C06	179.8°	179.7°
C14	C13	C11	H31	180.0°	179.4°
C14	C13	C11	C09	0.1°	0.5°
C14	C13	C11	H11	179.9°	179.4°
C13	C14	C12	H21	179.6°	179.9°
C10	C09	C11	C13	0.0°	0.3°
C10	C09	C11	C06	179.8°	179.7°
C10	C09	C06	C08	17.8°	8.9°
C10	C09	C06	C07	98.3°	59.7°
C10	C09	C06	H16	124.4°	154.6°
C10	C09	C11	H11	180.0°	179.7°
C09	C10	C12	H21	179.8°	179.8°
O05	C18	O04	H1	0.0°	0.0°
C13	C11	C09	H11	180.0°	180.0°
C13	C11	C09	C06	179.9°	180.0°
C11	C09	C06	C08	162.0°	171.4°
C11	C09	C06	C07	81.5°	120.0°
C11	C09	C06	H16	55.8°	25.7°
C11	C09	C10	H10	180.0°	179.9°
C09	C11	C13	H31	179.9°	180.0°
C09	C06	C08	C07	115.8°	107.5°
C09	C06	C08	H16	142.1°	145.1°
C09	C06	C07	H16	137.2°	145.0°
C09	C06	C07	CL1	13.5°	0.0°
C09	C06	C07	CL2	132.5°	145.0°
C09	C06	C08	H82	6.3°	0.0°
C09	C06	C08	H81	134.8°	145.0°
C06	C09	C10	H10	0.2°	0.3°
C06	C09	C11	H11	0.2°	0.0°
C06	C08	C07	H82	109.5°	107.5°
C06	C08	C07	H81	109.4°	107.4°
C08	C06	C07	H16	102.0°	107.5°
C08	C06	C07	CL1	107.2°	107.5°
C06	C08	C07	CL2	105.9°	107.5°
C06	C08	H82	H81	144.8°	145.7°
C08	C07	CL1	CL2	148.7°	145.7°
C07	C08	H82	H81	144.8°	145.7°
C06	C07	CL1	CL2	144.2°	145.7°
CL1	C07	C06	H16	150.7°	145.0°
CL1	C07	C08	H82	5.4°	0.0°
CL1	C07	C08	H81	146.5°	145.1°
CL2	C07	C06	H16	4.8°	0.0°
CL2	C07	C08	H82	144.7°	145.0°
CL2	C07	C08	H81	3.5°	0.1°
H16	C06	C08	H82	148.5°	145.1°
H16	C06	C08	H81	7.4°	0.0°
H10	C10	C12	H21	0.2°	0.3°
H11	C11	C13	H31	0.1°	0.0°
H62	C16	H61	H63	120.0°	120.1°
H72	C17	H71	H73	120.0°	120.0°

Release date:	2020-11-11
Definition date:	2019-01-23
Last modified:	2020-11-06
Release status:	REL
Processing site:	RCSB
Derived from:	6J6R