WLG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F01	C02	sing	1.40Å	1.35Å
F03	C02	sing	1.40Å	1.35Å
C02	O04	sing	1.43Å	1.40Å
O04	C05	sing	1.43Å	1.41Å
C05	C06	sing	1.51Å	1.53Å
C14	C13	sing	1.53Å	1.53Å
C14	C12	sing	1.53Å	1.53Å
C13	C12	sing	1.53Å	1.53Å
C06	O07	doub	1.21Å	1.19Å
C06	N08	sing	1.35Å	1.47Å
C15	C12	sing	1.53Å	1.54Å
C15	N08	sing	1.47Å	1.51Å
C12	C11	sing	1.53Å	1.50Å
N08	C09	sing	1.47Å	1.51Å
C11	C10	sing	1.53Å	1.48Å
C09	C10	sing	1.53Å	1.53Å
C10	H1	sing	1.09Å	1.10Å
C10	H2	sing	1.09Å	1.10Å
C13	H3	sing	1.09Å	1.10Å
C13	H4	sing	1.09Å	1.10Å
C15	H5	sing	1.09Å	1.10Å
C15	H6	sing	1.09Å	1.10Å
C02	H7	sing	1.09Å	1.10Å
C05	H8	sing	1.09Å	1.10Å
C05	H9	sing	1.09Å	1.10Å
C09	H10	sing	1.09Å	1.10Å
C09	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C14	H14	sing	1.09Å	1.10Å
C14	H15	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F01	C02	F03	107.0°	109.5°
F01	C02	O04	112.8°	109.5°
F01	C02	H7	109.4°	109.5°
F03	C02	O04	109.5°	109.4°
F03	C02	H7	109.5°	109.4°
C02	O04	C05	115.8°	114.0°
O04	C02	H7	108.7°	109.5°
O04	C05	C06	106.8°	109.5°
O04	C05	H8	110.1°	109.5°
O04	C05	H9	110.1°	109.4°
C05	C06	O07	119.6°	120.0°
C05	C06	N08	119.7°	120.0°
C06	C05	H8	110.1°	109.5°
C06	C05	H9	110.1°	109.5°
C13	C14	C12	60.0°	59.9°
C14	C13	C12	60.0°	60.0°
C14	C13	H3	120.0°	117.5°
C14	C13	H4	120.0°	117.6°
C13	C14	H14	120.0°	117.5°
C13	C14	H15	120.0°	117.5°
C14	C12	C13	60.0°	60.1°
C14	C12	C15	115.5°	117.7°
C14	C12	C11	110.7°	117.8°
C12	C14	H14	120.0°	117.5°
C12	C14	H15	120.0°	117.5°
C13	C12	C15	125.3°	117.7°
C13	C12	C11	116.6°	117.9°
C12	C13	H3	120.0°	117.5°
C12	C13	H4	120.0°	117.5°
O07	C06	N08	120.8°	120.0°
C06	N08	C15	124.5°	120.7°
C06	N08	C09	122.6°	120.7°
C12	C15	N08	115.5°	108.1°
C15	C12	C11	114.9°	114.8°
C12	C15	H5	107.9°	109.7°
C12	C15	H6	107.9°	109.7°
C15	N08	C09	112.9°	118.6°
N08	C15	H5	108.0°	109.7°
N08	C15	H6	107.9°	109.8°
C12	C11	C10	114.0°	109.0°
C12	C11	H12	108.3°	109.5°
C12	C11	H13	108.4°	109.6°
N08	C09	C10	114.4°	109.3°
N08	C09	H10	108.2°	109.6°
N08	C09	H11	108.2°	109.6°
C11	C10	C09	112.2°	109.4°
C11	C10	H1	108.8°	109.5°
C11	C10	H2	108.8°	109.5°
C10	C11	H12	108.3°	109.6°
C10	C11	H13	108.3°	109.6°
C09	C10	H1	108.8°	109.5°
C09	C10	H2	108.8°	109.5°
C10	C09	H10	108.2°	109.5°
C10	C09	H11	108.2°	109.4°
H1	C10	H2	109.4°	109.5°
H3	C13	H4	109.4°	115.6°
H5	C15	H6	109.5°	109.8°
H8	C05	H9	109.4°	109.4°
H10	C09	H11	109.4°	109.5°
H12	C11	H13	109.5°	109.5°
H14	C14	H15	109.5°	115.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F01	C02	F03	O04	122.5°	120.0°
F01	C02	F03	H7	118.5°	120.0°
F01	C02	O04	H7	121.5°	120.1°
F01	C02	O04	C05	69.8°	60.0°
F03	C02	O04	H7	119.6°	120.0°
F03	C02	O04	C05	49.1°	60.0°
C02	O04	C05	C06	167.6°	180.0°
C02	O04	C05	H8	72.8°	60.0°
C02	O04	C05	H9	48.0°	60.0°
O04	C05	C06	H8	119.6°	120.0°
O04	C05	C06	H9	119.6°	120.0°
O04	C05	C06	O07	0.3°	0.0°
O04	C05	C06	N08	179.7°	180.0°
C05	O04	C02	H7	168.7°	180.0°
O04	C05	H8	H9	121.2°	120.0°
C05	C06	O07	N08	179.5°	180.0°
C05	C06	N08	C15	0.6°	180.0°
C05	C06	N08	C09	179.7°	0.0°
C06	C05	H8	H9	121.2°	120.0°
C13	C14	C12	H14	109.5°	107.5°
C13	C14	C12	H15	109.5°	107.4°
C14	C13	C12	H3	109.5°	107.4°
C14	C13	C12	H4	109.5°	107.5°
C14	C13	C12	C15	101.5°	107.7°
C13	C14	C12	C11	109.5°	107.9°
C14	C13	H3	H4	144.7°	145.7°
C13	C14	H14	H15	144.7°	145.8°
C14	C12	C15	C11	130.9°	145.4°
C14	C12	C15	N08	86.1°	96.8°
C14	C12	C11	C10	131.9°	90.3°
C14	C12	C15	H5	34.8°	22.8°
C14	C12	C15	H6	153.0°	143.5°
C14	C12	C11	H12	107.5°	29.6°
C14	C12	C11	H13	11.2°	149.7°
C12	C14	H14	H15	144.7°	145.7°
C13	C12	C15	C11	159.1°	145.7°
C13	C12	C15	N08	156.2°	165.8°
C13	C12	C11	C10	162.3°	159.3°
C12	C13	H3	H4	144.7°	145.7°
C13	C12	C15	H5	35.3°	46.2°
C13	C12	C15	H6	83.0°	74.6°
C13	C12	C11	H12	41.6°	39.4°
C13	C12	C11	H13	77.0°	80.7°
O07	C06	N08	C15	180.0°	0.0°
O07	C06	N08	C09	0.3°	179.9°
O07	C06	C05	H8	119.9°	120.0°
O07	C06	C05	H9	119.3°	120.0°
C06	N08	C15	C12	144.0°	129.7°
C06	N08	C15	C09	179.7°	179.9°
C06	N08	C09	C10	167.5°	123.5°
C06	N08	C15	H5	23.1°	10.1°
C06	N08	C15	H6	95.1°	110.6°
N08	C06	C05	H8	60.7°	60.0°
N08	C06	C05	H9	60.1°	60.0°
C06	N08	C09	H10	71.8°	116.6°
C06	N08	C09	H11	46.7°	3.6°
C12	C15	N08	H5	120.9°	119.6°
C12	C15	N08	H6	120.9°	119.6°
C12	C15	N08	C09	36.3°	50.4°
C15	C12	C11	C10	1.2°	55.0°
C15	C12	C13	H3	8.0°	144.9°
C15	C12	C13	H4	149.0°	0.1°
C12	C15	H5	H6	117.2°	120.7°
C15	C12	C11	H12	119.4°	174.9°
C15	C12	C11	H13	121.9°	64.9°
C15	C12	C14	H14	132.8°	144.7°
C15	C12	C14	H15	8.2°	0.3°
N08	C15	C12	C11	44.7°	48.6°
C15	N08	C09	C10	12.3°	56.6°
N08	C15	H5	H6	117.3°	120.7°
C15	N08	C09	H10	108.5°	63.4°
C15	N08	C09	H11	133.0°	176.5°
C12	C11	C10	H12	120.6°	119.9°
C12	C11	C10	H13	120.7°	120.0°
C12	C11	C10	C09	47.2°	57.9°
C12	C11	C10	H1	73.2°	62.0°
C12	C11	C10	H2	167.6°	177.9°
C11	C12	C13	H3	150.8°	0.3°
C11	C12	C13	H4	9.8°	144.8°
C11	C12	C15	H5	165.6°	168.1°
C11	C12	C15	H6	76.2°	71.1°
C12	C11	H12	H13	118.0°	120.2°
C11	C12	C14	H14	0.0°	0.4°
C11	C12	C14	H15	141.1°	144.7°
N08	C09	C10	C11	55.6°	57.8°
N08	C09	C10	H10	120.7°	120.0°
N08	C09	C10	H11	120.7°	120.0°
N08	C09	C10	H1	64.8°	62.2°
N08	C09	C10	H2	176.0°	177.7°
C09	N08	C15	H5	157.2°	170.0°
C09	N08	C15	H6	84.6°	69.3°
N08	C09	H10	H11	117.7°	120.2°
C11	C10	C09	H1	120.4°	120.0°
C11	C10	C09	H2	120.4°	120.0°
C11	C10	H1	H2	118.7°	120.0°
C11	C10	C09	H10	65.1°	62.3°
C11	C10	C09	H11	176.4°	177.7°
C10	C11	H12	H13	117.9°	120.2°
C09	C10	H1	H2	118.7°	120.1°
C10	C09	H10	H11	117.8°	120.0°
C09	C10	C11	H12	167.8°	177.8°
C09	C10	C11	H13	73.5°	62.0°
H1	C10	C09	H10	174.4°	177.8°
H1	C10	C09	H11	55.9°	57.8°
H1	C10	C11	H12	47.4°	57.8°
H1	C10	C11	H13	166.1°	178.0°
H2	C10	C09	H10	55.3°	57.7°
H2	C10	C09	H11	63.2°	62.3°
H2	C10	C11	H12	71.7°	62.2°
H2	C10	C11	H13	46.9°	58.0°
H3	C13	C14	H14	141.0°	0.0°
H3	C13	C14	H15	0.0°	145.1°
H4	C13	C14	H14	0.0°	145.1°
H4	C13	C14	H15	141.0°	0.0°

Release date:	2020-11-11
Definition date:	2020-10-30
Last modified:	2020-11-06
Release status:	REL
Processing site:	RCSB
Derived from:	5RXF