6UW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O09	C07	doub	1.21Å	1.27Å
C06	C01	doub	1.38Å	1.41Å	Aromatic
C06	C05	sing	1.39Å	1.38Å	Aromatic
C01	C02	sing	1.39Å	1.38Å	Aromatic
C07	C05	sing	1.48Å	1.51Å
C07	O08	sing	1.35Å	1.25Å
C02	C03	doub	1.38Å	1.38Å	Aromatic
C05	C04	doub	1.41Å	1.39Å	Aromatic
C03	C04	sing	1.39Å	1.42Å	Aromatic
C03	C13	sing	1.51Å	1.61Å
C04	C10	sing	1.48Å	1.46Å
C10	O11	doub	1.21Å	1.22Å
C10	N12	sing	1.34Å	1.36Å
C13	N12	sing	1.47Å	1.46Å
N12	C14	sing	1.47Å	1.44Å
F21	C20	sing	1.35Å	1.35Å
C19	C20	doub	1.38Å	1.39Å	Aromatic
C19	C18	sing	1.38Å	1.38Å	Aromatic
C20	C15	sing	1.39Å	1.38Å	Aromatic
C18	C17	doub	1.38Å	1.37Å	Aromatic
C15	C14	sing	1.51Å	1.54Å
C15	C16	doub	1.38Å	1.38Å	Aromatic
C17	C16	sing	1.38Å	1.39Å	Aromatic
C16	CL	sing	1.74Å	1.73Å
C13	H1	sing	1.09Å	1.10Å
C13	H2	sing	1.09Å	1.10Å
C14	H3	sing	1.09Å	1.10Å
C14	H4	sing	1.09Å	1.10Å
C17	H5	sing	1.08Å	1.08Å
C01	H6	sing	1.08Å	1.08Å
C02	H7	sing	1.08Å	1.08Å
C06	H8	sing	1.08Å	1.08Å
O08	H9	sing	0.97Å	0.95Å
C18	H10	sing	1.08Å	1.08Å
C19	H11	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O09	C07	C05	118.8°	120.0°
O09	C07	O08	121.2°	120.0°
C01	C06	C05	120.3°	120.1°
C06	C01	C02	119.8°	120.3°
C06	C01	H6	120.1°	119.9°
C01	C06	H8	119.8°	119.9°
C06	C05	C07	118.2°	120.2°
C06	C05	C04	120.2°	119.6°
C05	C06	H8	119.8°	120.0°
C01	C02	C03	119.8°	120.2°
C02	C01	H6	120.1°	119.8°
C01	C02	H7	120.1°	119.9°
C05	C07	O08	120.0°	120.0°
C07	C05	C04	121.6°	120.2°
C07	O08	H9	109.5°	117.0°
C02	C03	C04	121.3°	120.5°
C02	C03	C13	131.5°	133.1°
C03	C02	H7	120.1°	119.9°
C05	C04	C03	118.6°	119.3°
C05	C04	C10	136.6°	132.3°
C04	C03	C13	107.3°	106.4°
C03	C04	C10	104.7°	108.4°
C03	C13	N12	104.5°	106.3°
C03	C13	H1	110.7°	110.2°
C03	C13	H2	110.7°	110.0°
C04	C10	O11	122.9°	124.9°
C04	C10	N12	116.6°	110.2°
O11	C10	N12	120.5°	124.9°
C10	N12	C13	106.9°	108.7°
C10	N12	C14	127.6°	125.6°
C13	N12	C14	125.3°	125.7°
N12	C13	H1	110.7°	110.1°
N12	C13	H2	110.7°	110.2°
N12	C14	C15	117.2°	109.5°
N12	C14	H3	107.5°	109.5°
N12	C14	H4	107.5°	109.5°
F21	C20	C19	120.0°	120.1°
F21	C20	C15	118.6°	120.0°
C20	C19	C18	120.3°	120.0°
C19	C20	C15	121.4°	120.0°
C20	C19	H11	119.8°	120.0°
C19	C18	C17	119.4°	120.0°
C19	C18	H10	120.3°	120.0°
C18	C19	H11	119.9°	120.0°
C20	C15	C14	120.4°	120.0°
C20	C15	C16	117.2°	119.9°
C18	C17	C16	119.1°	120.0°
C18	C17	H5	120.4°	120.0°
C17	C18	H10	120.3°	119.9°
C14	C15	C16	122.3°	120.0°
C15	C14	H3	107.5°	109.5°
C15	C14	H4	107.5°	109.5°
C15	C16	C17	122.6°	120.0°
C15	C16	CL	119.2°	120.0°
C17	C16	CL	118.2°	120.0°
C16	C17	H5	120.4°	120.0°
H1	C13	H2	109.5°	110.0°
H3	C14	H4	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O09	C07	C05	C06	56.8°	180.0°
O09	C07	C05	O08	177.9°	180.0°
O09	C07	C05	C04	121.8°	0.1°
O09	C07	O08	H9	0.0°	0.0°
C01	C06	C05	H8	180.0°	180.0°
C06	C01	C02	H6	180.0°	179.9°
C01	C06	C05	C07	179.6°	180.0°
C06	C01	C02	C03	1.5°	0.0°
C01	C06	C05	C04	1.8°	0.1°
C06	C01	C02	H7	178.5°	180.0°
C05	C06	C01	C02	2.2°	0.0°
C06	C05	C07	C04	178.5°	179.9°
C06	C05	C07	O08	121.2°	0.0°
C06	C05	C04	C03	0.7°	0.1°
C06	C05	C04	C10	178.6°	180.0°
C05	C06	C01	H6	177.8°	180.0°
C01	C02	C03	H7	180.0°	180.0°
C01	C02	C03	C04	0.4°	0.0°
C01	C02	C03	C13	179.8°	179.8°
C02	C01	C06	H8	177.8°	180.0°
C07	C05	C04	C03	179.2°	180.0°
C07	C05	C04	C10	0.0°	0.0°
C07	C05	C06	H8	0.3°	0.0°
C05	C07	O08	H9	177.9°	180.0°
O08	C07	C05	C04	60.3°	179.9°
C02	C03	C04	C05	0.0°	0.1°
C02	C03	C04	C13	179.8°	179.8°
C02	C03	C04	C10	179.5°	180.0°
C02	C03	C13	N12	178.3°	179.8°
C02	C03	C13	H1	59.1°	60.9°
C02	C03	C13	H2	62.5°	60.6°
C03	C02	C01	H6	178.5°	179.9°
C05	C04	C03	C10	179.4°	180.0°
C05	C04	C03	C13	179.8°	179.9°
C05	C04	C10	O11	2.1°	0.1°
C05	C04	C10	N12	178.2°	179.8°
C04	C05	C06	H8	178.2°	179.9°
C03	C04	C10	O11	178.6°	180.0°
C03	C04	C10	N12	1.1°	0.3°
C04	C03	C13	N12	1.5°	0.0°
C04	C03	C13	H1	120.7°	119.3°
C04	C03	C13	H2	117.7°	119.2°
C04	C03	C02	H7	179.6°	180.0°
C13	C03	C04	C10	0.4°	0.1°
C03	C13	N12	C10	2.1°	0.2°
C03	C13	N12	H1	119.2°	119.3°
C03	C13	N12	H2	119.2°	119.1°
C03	C13	N12	C14	176.9°	179.9°
C03	C13	H1	H2	122.3°	121.5°
C13	C03	C02	H7	0.2°	0.2°
C04	C10	O11	N12	179.7°	179.7°
C04	C10	N12	C13	2.1°	0.2°
C04	C10	N12	C14	176.8°	179.8°
O11	C10	N12	C13	177.6°	180.0°
O11	C10	N12	C14	2.9°	0.1°
C10	N12	C13	C14	174.9°	180.0°
C10	N12	C14	C15	122.4°	90.0°
C10	N12	C13	H1	121.3°	119.2°
C10	N12	C13	H2	117.1°	119.3°
C10	N12	C14	H3	116.5°	30.0°
C10	N12	C14	H4	1.3°	150.0°
C13	N12	C14	C15	63.7°	90.0°
N12	C13	H1	H2	122.3°	121.6°
C13	N12	C14	H3	57.4°	150.0°
C13	N12	C14	H4	175.1°	30.0°
N12	C14	C15	C20	93.0°	90.3°
N12	C14	C15	H3	121.1°	120.0°
N12	C14	C15	H4	121.1°	120.0°
N12	C14	C15	C16	90.3°	90.0°
C14	N12	C13	H1	63.8°	60.8°
C14	N12	C13	H2	57.8°	60.7°
N12	C14	H3	H4	116.5°	120.0°
F21	C20	C19	C15	178.7°	179.5°
F21	C20	C19	C18	179.3°	180.0°
F21	C20	C15	C14	3.2°	0.2°
F21	C20	C15	C16	179.9°	180.0°
F21	C20	C19	H11	0.7°	0.5°
C20	C19	C18	H11	180.0°	179.5°
C20	C19	C18	C17	0.2°	0.2°
C19	C20	C15	C14	178.0°	179.7°
C19	C20	C15	C16	1.1°	0.6°
C20	C19	C18	H10	179.7°	179.8°
C18	C19	C20	C15	0.6°	0.5°
C19	C18	C17	H10	180.0°	180.0°
C19	C18	C17	C16	0.5°	0.1°
C19	C18	C17	H5	179.5°	180.0°
C20	C15	C14	C16	176.7°	179.7°
C20	C15	C16	C17	1.4°	0.3°
C20	C15	C16	CL	178.8°	179.8°
C20	C15	C14	H3	145.9°	29.8°
C20	C15	C14	H4	28.1°	149.7°
C15	C20	C19	H11	179.4°	180.0°
C18	C17	C16	C15	1.1°	0.0°
C18	C17	C16	H5	180.0°	179.9°
C18	C17	C16	CL	179.1°	179.9°
C17	C18	C19	H11	179.7°	179.7°
C14	C15	C16	C17	178.2°	180.0°
C14	C15	C16	CL	2.0°	0.0°
C15	C14	H3	H4	116.5°	120.0°
C15	C16	C17	CL	179.8°	180.0°
C16	C15	C14	H3	30.8°	150.0°
C16	C15	C14	H4	148.6°	30.0°
C15	C16	C17	H5	178.9°	180.0°
C16	C17	C18	H10	179.5°	180.0°
CL	C16	C17	H5	0.9°	0.0°
H5	C17	C18	H10	0.5°	0.0°
H6	C01	C02	H7	1.5°	0.1°
H6	C01	C06	H8	2.2°	0.1°
H10	C18	C19	H11	0.3°	0.3°

Release date:	2017-02-15
Definition date:	2016-06-29
Last modified:	2017-02-10
Release status:	REL
Processing site:	EBI
Derived from:	5LE1