6WL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O19	C18	sing	1.36Å	1.37Å
C18	C17	doub	1.39Å	1.49Å	Aromatic
C18	C20	sing	1.39Å	1.44Å	Aromatic
C17	C16	sing	1.38Å	1.44Å	Aromatic
C20	C21	doub	1.38Å	1.44Å	Aromatic
C16	C15	doub	1.39Å	1.44Å	Aromatic
C21	C15	sing	1.40Å	1.50Å	Aromatic
C21	O22	sing	1.36Å	1.37Å
C15	C14	sing	1.48Å	1.51Å
C14	C09	sing	1.47Å	1.46Å	Aromatic
C14	N13	doub	1.31Å	1.36Å	Aromatic
C08	C09	doub	1.40Å	1.38Å	Aromatic
C08	C07	sing	1.37Å	1.40Å	Aromatic
C09	C10	sing	1.41Å	1.44Å	Aromatic
C07	C06	doub	1.39Å	1.42Å	Aromatic
N13	N11	sing	1.40Å	1.31Å	Aromatic
C10	N11	sing	1.37Å	1.40Å	Aromatic
C10	C05	doub	1.39Å	1.40Å	Aromatic
N11	C12	sing	1.46Å	1.45Å
C06	C05	sing	1.38Å	1.40Å	Aromatic
C05	C02	sing	1.51Å	1.54Å
F03	C02	sing	1.40Å	1.33Å
C02	F01	sing	1.40Å	1.33Å
C02	F04	sing	1.40Å	1.33Å
C06	H1	sing	1.08Å	1.08Å
C07	H2	sing	1.08Å	1.08Å
C08	H3	sing	1.08Å	1.08Å
C12	H4	sing	1.09Å	1.10Å
C12	H5	sing	1.09Å	1.10Å
C12	H6	sing	1.09Å	1.10Å
C16	H7	sing	1.08Å	1.08Å
C17	H8	sing	1.08Å	1.08Å
O19	H9	sing	0.97Å	0.95Å
C20	H10	sing	1.08Å	1.08Å
O22	H11	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O19	C18	C17	120.5°	119.9°
O19	C18	C20	119.4°	119.9°
C18	O19	H9	109.5°	114.0°
C17	C18	C20	120.0°	120.2°
C18	C17	C16	120.2°	120.2°
C18	C17	H8	119.9°	119.9°
C18	C20	C21	119.7°	120.0°
C18	C20	H10	120.2°	120.0°
C17	C16	C15	119.9°	120.0°
C17	C16	H7	120.1°	120.0°
C16	C17	H8	119.9°	120.0°
C20	C21	C15	120.3°	119.8°
C20	C21	O22	119.3°	120.1°
C21	C20	H10	120.1°	120.0°
C16	C15	C21	119.9°	119.8°
C16	C15	C14	121.6°	120.1°
C15	C16	H7	120.0°	120.0°
C15	C21	O22	120.4°	120.1°
C21	C15	C14	118.5°	120.1°
C21	O22	H11	109.5°	114.0°
C15	C14	C09	127.2°	126.2°
C15	C14	N13	125.2°	126.2°
C09	C14	N13	107.7°	107.6°
C14	C09	C08	133.5°	133.9°
C14	C09	C10	105.2°	106.3°
C14	N13	N11	109.7°	110.0°
C09	C08	C07	119.7°	119.8°
C08	C09	C10	121.3°	119.9°
C09	C08	H3	120.1°	120.1°
C08	C07	C06	119.5°	120.6°
C08	C07	H2	120.3°	119.7°
C07	C08	H3	120.1°	120.1°
C09	C10	N11	104.8°	106.9°
C09	C10	C05	118.9°	119.4°
C07	C06	C05	121.1°	120.6°
C07	C06	H1	119.5°	119.7°
C06	C07	H2	120.2°	119.7°
N13	N11	C10	112.6°	109.3°
N13	N11	C12	119.9°	125.4°
N11	C10	C05	136.3°	133.7°
C10	N11	C12	127.5°	125.3°
C10	C05	C06	119.5°	119.7°
C10	C05	C02	124.1°	120.1°
N11	C12	H4	109.5°	109.5°
N11	C12	H5	109.5°	109.5°
N11	C12	H6	109.5°	109.5°
C06	C05	C02	116.4°	120.1°
C05	C06	H1	119.5°	119.7°
C05	C02	F03	110.4°	109.5°
C05	C02	F01	109.0°	109.4°
C05	C02	F04	109.6°	109.5°
F03	C02	F01	108.7°	109.5°
F03	C02	F04	109.6°	109.5°
F01	C02	F04	109.6°	109.5°
H4	C12	H5	109.4°	109.4°
H4	C12	H6	109.5°	109.5°
H5	C12	H6	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O19	C18	C17	C20	179.9°	179.9°
O19	C18	C17	C16	179.9°	180.0°
O19	C18	C20	C21	179.9°	179.7°
O19	C18	C17	H8	0.1°	0.1°
O19	C18	C20	H10	0.0°	0.0°
C18	C17	C16	H8	180.0°	179.9°
C17	C18	C20	C21	0.0°	0.4°
C18	C17	C16	C15	0.1°	0.0°
C18	C17	C16	H7	179.9°	180.0°
C17	C18	O19	H9	180.0°	90.0°
C17	C18	C20	H10	179.9°	179.9°
C20	C18	C17	C16	0.0°	0.1°
C18	C20	C21	H10	180.0°	179.7°
C18	C20	C21	C15	0.1°	0.7°
C18	C20	C21	O22	180.0°	180.0°
C20	C18	C17	H8	180.0°	180.0°
C20	C18	O19	H9	0.1°	90.1°
C17	C16	C15	H7	180.0°	180.0°
C17	C16	C15	C21	0.1°	0.3°
C17	C16	C15	C14	179.8°	180.0°
C20	C21	C15	C16	0.1°	0.6°
C20	C21	C15	O22	180.0°	179.4°
C20	C21	C15	C14	179.8°	179.7°
C20	C21	O22	H11	180.0°	90.0°
C16	C15	C21	C14	179.7°	179.7°
C16	C15	C21	O22	179.9°	180.0°
C16	C15	C14	C09	28.6°	46.7°
C16	C15	C14	N13	152.1°	133.2°
C15	C16	C17	H8	180.0°	179.9°
C21	C15	C14	C09	151.1°	133.0°
C21	C15	C14	N13	28.2°	47.1°
C21	C15	C16	H7	179.9°	179.7°
C15	C21	C20	H10	179.9°	179.7°
C15	C21	O22	H11	0.1°	90.6°
O22	C21	C15	C14	0.2°	0.3°
O22	C21	C20	H10	0.1°	0.3°
C15	C14	C09	N13	179.3°	179.9°
C15	C14	C09	C08	0.6°	0.0°
C15	C14	C09	C10	179.6°	179.7°
C15	C14	N13	N11	179.6°	179.7°
C14	C15	C16	H7	0.2°	0.0°
C14	C09	C08	C10	179.8°	179.7°
C14	C09	C08	C07	179.8°	180.0°
C09	C14	N13	N11	0.2°	0.4°
C14	C09	C10	N11	0.1°	0.2°
C14	C09	C10	C05	179.7°	179.6°
C14	C09	C08	H3	0.2°	0.2°
N13	C14	C09	C08	180.0°	179.9°
N13	C14	C09	C10	0.2°	0.3°
C14	N13	N11	C10	0.1°	0.2°
C14	N13	N11	C12	179.9°	179.8°
C09	C08	C07	H3	180.0°	179.7°
C09	C08	C07	C06	0.0°	0.0°
C08	C09	C10	N11	180.0°	180.0°
C08	C09	C10	C05	0.1°	0.6°
C09	C08	C07	H2	180.0°	180.0°
C07	C08	C09	C10	0.0°	0.3°
C08	C07	C06	H2	180.0°	180.0°
C08	C07	C06	C05	0.1°	0.0°
C08	C07	C06	H1	179.9°	180.0°
C09	C10	N11	N13	0.0°	0.0°
C09	C10	N11	C05	179.9°	179.3°
C09	C10	N11	C12	179.9°	180.0°
C09	C10	C05	C06	0.2°	0.6°
C09	C10	C05	C02	179.8°	179.7°
C10	C09	C08	H3	180.0°	180.0°
C07	C06	C05	C10	0.2°	0.3°
C07	C06	C05	H1	180.0°	179.9°
C07	C06	C05	C02	179.8°	180.0°
C06	C07	C08	H3	180.0°	179.8°
N13	N11	C10	C12	180.0°	179.9°
N13	N11	C10	C05	179.8°	179.3°
N13	N11	C12	H4	0.0°	95.9°
N13	N11	C12	H5	120.0°	24.1°
N13	N11	C12	H6	120.0°	144.0°
N11	C10	C05	C06	180.0°	179.9°
N11	C10	C05	C02	0.4°	0.5°
C10	N11	C12	H4	180.0°	84.0°
C10	N11	C12	H5	60.1°	156.0°
C10	N11	C12	H6	60.0°	36.0°
C05	C10	N11	C12	0.2°	0.6°
C10	C05	C06	C02	179.6°	179.7°
C10	C05	C02	F03	57.8°	65.7°
C10	C05	C02	F01	177.1°	174.4°
C10	C05	C02	F04	63.0°	54.4°
C10	C05	C06	H1	179.8°	179.7°
N11	C12	H4	H5	120.0°	120.0°
N11	C12	H4	H6	120.0°	120.0°
N11	C12	H5	H6	120.0°	120.0°
C06	C05	C02	F03	122.6°	114.0°
C06	C05	C02	F01	3.4°	5.9°
C06	C05	C02	F04	116.6°	125.9°
C05	C06	C07	H2	179.9°	179.9°
C05	C02	F03	F01	119.5°	119.9°
C05	C02	F03	F04	120.7°	120.0°
C05	C02	F01	F04	119.9°	120.0°
C02	C05	C06	H1	0.2°	0.0°
F03	C02	F01	F04	119.8°	120.1°
H1	C06	C07	H2	0.1°	0.0°
H2	C07	C08	H3	0.0°	0.2°
H4	C12	H5	H6	120.0°	120.0°
H7	C16	C17	H8	0.0°	0.1°

Release date:	2017-02-15
Definition date:	2016-07-11
Last modified:	2017-02-10
Release status:	REL
Processing site:	RCSB
Derived from:	5KRF