QW5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C14	C13	doub	1.38Å	1.37Å	Aromatic
C14	C15	sing	1.39Å	1.39Å	Aromatic
C13	C12	sing	1.39Å	1.40Å	Aromatic
O02	C01	sing	1.43Å	1.44Å
O02	C03	sing	1.36Å	1.40Å
CL1	C15	sing	1.74Å	1.74Å
C15	C17	doub	1.37Å	1.37Å	Aromatic
C12	N11	sing	1.38Å	1.38Å	Aromatic
C12	C18	doub	1.41Å	1.38Å	Aromatic
N11	C10	sing	1.38Å	1.37Å	Aromatic
C08	C03	doub	1.38Å	1.39Å	Aromatic
C08	C07	sing	1.40Å	1.40Å	Aromatic
C17	C18	sing	1.40Å	1.42Å	Aromatic
C18	C09	sing	1.47Å	1.47Å	Aromatic
C10	C09	doub	1.38Å	1.39Å	Aromatic
C10	C19	sing	1.47Å	1.47Å
C03	C04	sing	1.39Å	1.40Å	Aromatic
C09	C07	sing	1.48Å	1.49Å
O21	C19	doub	1.22Å	1.24Å
C19	N20	sing	1.35Å	1.33Å
C07	C06	doub	1.40Å	1.40Å	Aromatic
C04	C05	doub	1.38Å	1.40Å	Aromatic
C06	C05	sing	1.38Å	1.39Å	Aromatic
C13	H1	sing	1.08Å	1.08Å
C17	H2	sing	1.08Å	1.08Å
C01	H3	sing	1.09Å	1.10Å
C01	H4	sing	1.09Å	1.10Å
C01	H5	sing	1.09Å	1.10Å
C04	H6	sing	1.08Å	1.08Å
C05	H7	sing	1.08Å	1.08Å
C06	H8	sing	1.08Å	1.08Å
C08	H9	sing	1.08Å	1.08Å
N11	H10	sing	0.97Å	1.00Å
C14	H11	sing	1.08Å	1.08Å
N20	H12	sing	0.97Å	1.00Å
N20	H13	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C13	C14	C15	119.8°	120.7°
C14	C13	C12	119.1°	119.8°
C14	C13	H1	120.4°	120.1°
C13	C14	H11	120.1°	119.7°
C14	C15	CL1	119.0°	119.8°
C14	C15	C17	122.2°	120.5°
C15	C14	H11	120.1°	119.7°
C13	C12	N11	130.2°	132.8°
C13	C12	C18	121.7°	119.2°
C12	C13	H1	120.5°	120.1°
C01	O02	C03	118.6°	117.0°
O02	C01	H3	109.5°	109.4°
O02	C01	H4	109.5°	109.5°
O02	C01	H5	109.5°	109.5°
O02	C03	C08	114.3°	120.0°
O02	C03	C04	125.1°	120.0°
CL1	C15	C17	118.6°	119.7°
C15	C17	C18	118.4°	119.8°
C15	C17	H2	120.8°	120.1°
N11	C12	C18	108.2°	108.0°
C12	N11	C10	110.4°	110.1°
C12	N11	H10	124.8°	125.0°
C12	C18	C17	118.8°	120.0°
C12	C18	C09	106.5°	106.4°
N11	C10	C09	108.0°	109.0°
N11	C10	C19	119.1°	125.5°
C10	N11	H10	124.8°	124.9°
C03	C08	C07	120.2°	119.8°
C08	C03	C04	120.6°	120.0°
C03	C08	H9	119.9°	120.1°
C08	C07	C09	120.3°	120.1°
C08	C07	C06	119.2°	119.8°
C07	C08	H9	119.9°	120.1°
C17	C18	C09	134.7°	133.6°
C18	C17	H2	120.8°	120.1°
C18	C09	C10	106.9°	106.5°
C18	C09	C07	124.4°	126.7°
C09	C10	C19	132.9°	125.5°
C10	C09	C07	128.7°	126.8°
C10	C19	O21	120.0°	120.0°
C10	C19	N20	116.3°	120.0°
C03	C04	C05	119.3°	120.2°
C03	C04	H6	120.4°	119.9°
C09	C07	C06	120.6°	120.1°
O21	C19	N20	123.7°	120.0°
C19	N20	H12	120.0°	120.0°
C19	N20	H13	120.0°	120.0°
C07	C06	C05	120.4°	119.9°
C07	C06	H8	119.8°	120.0°
C04	C05	C06	120.4°	120.3°
C05	C04	H6	120.4°	119.9°
C04	C05	H7	119.8°	119.9°
C06	C05	H7	119.8°	119.9°
C05	C06	H8	119.8°	120.1°
H3	C01	H4	109.5°	109.5°
H3	C01	H5	109.4°	109.4°
H4	C01	H5	109.5°	109.5°
H12	N20	H13	120.0°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C13	C14	C15	H11	180.0°	179.3°
C14	C13	C12	H1	180.0°	179.9°
C13	C14	C15	CL1	177.4°	179.6°
C13	C14	C15	C17	1.4°	0.6°
C14	C13	C12	N11	179.3°	180.0°
C14	C13	C12	C18	1.7°	0.3°
C15	C14	C13	C12	0.2°	0.7°
C14	C15	CL1	C17	176.1°	179.7°
C14	C15	C17	C18	1.6°	0.3°
C15	C14	C13	H1	179.8°	179.4°
C14	C15	C17	H2	178.5°	180.0°
C13	C12	N11	C18	179.1°	179.7°
C13	C12	N11	C10	180.0°	180.0°
C13	C12	C18	C17	1.5°	0.0°
C13	C12	C18	C09	179.8°	179.8°
C13	C12	N11	H10	0.0°	0.0°
C12	C13	C14	H11	179.8°	180.0°
C01	O02	C03	C08	167.4°	179.7°
C01	O02	C03	C04	14.7°	0.0°
O02	C01	H3	H4	120.0°	120.0°
O02	C01	H3	H5	120.0°	119.9°
O02	C01	H4	H5	120.0°	120.0°
O02	C03	C08	C04	178.0°	179.7°
O02	C03	C08	C07	177.7°	179.8°
O02	C03	C04	C05	178.6°	180.0°
C03	O02	C01	H3	180.0°	60.0°
C03	O02	C01	H4	60.0°	180.0°
C03	O02	C01	H5	60.0°	60.0°
O02	C03	C04	H6	1.5°	0.0°
O02	C03	C08	H9	2.4°	0.1°
CL1	C15	C17	C18	177.6°	180.0°
CL1	C15	C17	H2	2.5°	0.2°
CL1	C15	C14	H11	2.5°	0.3°
C15	C17	C18	C12	0.1°	0.0°
C15	C17	C18	H2	180.0°	179.8°
C15	C17	C18	C09	178.1°	179.7°
C17	C15	C14	H11	178.5°	180.0°
C12	N11	C10	H10	180.0°	180.0°
N11	C12	C18	C17	179.3°	179.8°
N11	C12	C18	C09	0.6°	0.4°
C12	N11	C10	C09	0.7°	0.0°
C12	N11	C10	C19	177.9°	179.8°
N11	C12	C13	H1	0.7°	0.0°
C18	C12	N11	C10	0.8°	0.3°
C12	C18	C17	C09	178.2°	179.8°
C12	C18	C09	C10	0.2°	0.4°
C12	C18	C09	C07	179.4°	179.6°
C18	C12	C13	H1	178.3°	179.7°
C12	C18	C17	H2	179.9°	179.7°
C18	C12	N11	H10	179.1°	179.7°
N11	C10	C09	C18	0.3°	0.2°
N11	C10	C09	C19	176.7°	179.8°
N11	C10	C09	C07	178.9°	179.7°
N11	C10	C19	O21	12.3°	179.7°
N11	C10	C19	N20	165.7°	0.2°
C03	C08	C07	H9	180.0°	179.7°
C03	C08	C07	C09	179.0°	179.8°
C03	C08	C07	C06	1.0°	0.5°
C08	C03	C04	C05	0.7°	0.3°
C08	C03	C04	H6	179.3°	179.7°
C08	C07	C09	C18	61.1°	115.3°
C08	C07	C09	C10	117.9°	64.8°
C07	C08	C03	C04	0.4°	0.5°
C08	C07	C09	C06	177.9°	179.7°
C08	C07	C06	C05	0.5°	0.2°
C08	C07	C06	H8	179.5°	179.7°
C17	C18	C09	C10	178.5°	179.8°
C17	C18	C09	C07	2.2°	0.2°
C18	C09	C10	C07	179.2°	180.0°
C18	C09	C10	C19	177.0°	180.0°
C18	C09	C07	C06	121.0°	65.0°
C09	C18	C17	H2	1.9°	0.5°
C09	C10	C19	O21	171.3°	0.1°
C09	C10	C19	N20	10.7°	180.0°
C10	C09	C07	C06	60.0°	115.0°
C09	C10	N11	H10	179.3°	180.0°
C19	C10	C09	C07	2.2°	0.1°
C10	C19	O21	N20	177.8°	179.9°
C19	C10	N11	H10	2.1°	0.2°
C10	C19	N20	H12	177.9°	0.1°
C10	C19	N20	H13	2.2°	180.0°
C03	C04	C05	H6	180.0°	180.0°
C03	C04	C05	C06	1.2°	0.0°
C03	C04	C05	H7	178.8°	180.0°
C04	C03	C08	H9	179.6°	179.8°
C09	C07	C06	C05	178.5°	180.0°
C09	C07	C06	H8	1.5°	0.0°
C09	C07	C08	H9	1.0°	0.0°
O21	C19	N20	H12	0.0°	180.0°
O21	C19	N20	H13	180.0°	0.1°
C19	N20	H12	H13	180.0°	179.9°
C07	C06	C05	C04	0.6°	0.0°
C07	C06	C05	H8	180.0°	180.0°
C07	C06	C05	H7	179.4°	180.0°
C06	C07	C08	H9	179.0°	179.8°
C04	C05	C06	H7	180.0°	180.0°
C04	C05	C06	H8	179.4°	180.0°
C06	C05	C04	H6	178.8°	180.0°
H1	C13	C14	H11	0.2°	0.1°
H3	C01	H4	H5	119.9°	120.0°
H6	C04	C05	H7	1.2°	0.0°
H7	C05	C06	H8	0.6°	0.0°

Release date:	2020-09-23
Definition date:	2020-08-14
Last modified:	2020-09-18
Release status:	REL
Processing site:	PDBE
Derived from:	7A13