NW8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C14	C15	doub	1.38Å	1.36Å	Aromatic
C14	C13	sing	1.38Å	1.37Å	Aromatic
C15	C10	sing	1.39Å	1.35Å	Aromatic
C13	C12	doub	1.38Å	1.36Å	Aromatic
C03	C02	doub	1.36Å	1.37Å	Aromatic
C03	N04	sing	1.37Å	1.36Å	Aromatic
C10	C02	sing	1.48Å	1.35Å
C10	C11	doub	1.39Å	1.36Å	Aromatic
C12	C11	sing	1.38Å	1.35Å	Aromatic
C02	N01	sing	1.34Å	1.33Å	Aromatic
C05	N04	sing	1.36Å	1.36Å	Aromatic
C05	C06	doub	1.35Å	1.39Å	Aromatic
N04	C09	sing	1.37Å	1.32Å	Aromatic
C06	C07	sing	1.40Å	1.40Å	Aromatic
N01	C09	doub	1.32Å	1.36Å	Aromatic
C09	C08	sing	1.42Å	1.45Å	Aromatic
C07	C08	doub	1.38Å	1.41Å	Aromatic
C08	C16	sing	1.48Å	1.41Å
C16	C17	doub	1.39Å	1.39Å	Aromatic
C16	C21	sing	1.39Å	1.37Å	Aromatic
C17	C18	sing	1.38Å	1.39Å	Aromatic
C21	C20	doub	1.38Å	1.39Å	Aromatic
C18	C19	doub	1.38Å	1.38Å	Aromatic
C20	C19	sing	1.39Å	1.37Å	Aromatic
C19	CL1	sing	1.74Å	1.81Å
C12	H1	sing	1.08Å	1.08Å
C11	H2	sing	1.08Å	1.08Å
C03	H3	sing	1.08Å	1.08Å
C05	H4	sing	1.08Å	1.08Å
C06	H5	sing	1.08Å	1.08Å
C07	H6	sing	1.08Å	1.08Å
C13	H7	sing	1.08Å	1.08Å
C14	H8	sing	1.08Å	1.08Å
C15	H9	sing	1.08Å	1.08Å
C17	H10	sing	1.08Å	1.08Å
C18	H11	sing	1.08Å	1.08Å
C20	H12	sing	1.08Å	1.08Å
C21	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C15	C14	C13	119.0°	120.1°
C14	C15	C10	117.2°	119.9°
C15	C14	H8	120.5°	120.0°
C14	C15	H9	121.4°	120.0°
C14	C13	C12	123.1°	120.3°
C14	C13	H7	118.4°	119.9°
C13	C14	H8	120.5°	119.9°
C15	C10	C02	116.6°	120.1°
C15	C10	C11	123.7°	119.8°
C10	C15	H9	121.4°	120.1°
C13	C12	C11	117.4°	120.1°
C13	C12	H1	121.3°	120.0°
C12	C13	H7	118.5°	119.9°
C02	C03	N04	105.3°	107.1°
C03	C02	C10	125.9°	125.9°
C03	C02	N01	108.7°	108.2°
C02	C03	H3	127.4°	126.4°
C03	N04	C05	128.8°	132.3°
C03	N04	C09	110.3°	107.1°
N04	C03	H3	127.3°	126.5°
C02	C10	C11	119.6°	120.2°
C10	C02	N01	125.4°	125.8°
C10	C11	C12	119.5°	119.9°
C10	C11	H2	120.3°	120.0°
C11	C12	H1	121.3°	119.9°
C12	C11	H2	120.2°	120.1°
C02	N01	C09	108.5°	109.1°
N04	C05	C06	120.9°	121.1°
C05	N04	C09	120.8°	120.6°
N04	C05	H4	119.6°	119.5°
C05	C06	C07	119.6°	120.4°
C06	C05	H4	119.6°	119.4°
C05	C06	H5	120.2°	119.8°
N04	C09	N01	107.2°	108.4°
N04	C09	C08	122.3°	119.5°
C06	C07	C08	120.0°	119.4°
C07	C06	H5	120.2°	119.8°
C06	C07	H6	120.0°	120.3°
N01	C09	C08	130.6°	132.1°
C09	C08	C07	116.4°	119.0°
C09	C08	C16	123.2°	120.5°
C07	C08	C16	120.3°	120.5°
C08	C07	H6	120.0°	120.3°
C08	C16	C17	121.4°	120.1°
C08	C16	C21	123.4°	120.1°
C17	C16	C21	115.1°	119.8°
C16	C17	C18	123.0°	119.9°
C16	C17	H10	118.5°	120.1°
C16	C21	C20	121.2°	119.8°
C16	C21	H13	119.4°	120.0°
C17	C18	C19	122.1°	120.2°
C18	C17	H10	118.5°	120.0°
C17	C18	H11	119.0°	120.0°
C21	C20	C19	124.2°	120.2°
C21	C20	H12	117.9°	119.9°
C20	C21	H13	119.4°	120.1°
C18	C19	C20	114.3°	120.2°
C18	C19	CL1	122.0°	119.9°
C19	C18	H11	119.0°	119.9°
C20	C19	CL1	123.6°	119.9°
C19	C20	H12	117.9°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C15	C14	C13	H8	180.0°	179.2°
C14	C15	C10	H9	180.0°	179.2°
C15	C14	C13	C12	0.1°	0.5°
C14	C15	C10	C02	179.3°	179.4°
C14	C15	C10	C11	1.0°	0.5°
C15	C14	C13	H7	179.9°	179.5°
C13	C14	C15	C10	0.4°	0.8°
C14	C13	C12	H7	180.0°	180.0°
C14	C13	C12	C11	0.0°	0.1°
C14	C13	C12	H1	180.0°	179.7°
C13	C14	C15	H9	179.6°	180.0°
C15	C10	C02	C03	15.2°	0.3°
C15	C10	C02	C11	178.4°	179.9°
C15	C10	C11	C12	1.1°	0.1°
C15	C10	C02	N01	163.3°	180.0°
C15	C10	C11	H2	178.9°	180.0°
C10	C15	C14	H8	179.6°	180.0°
C13	C12	C11	C10	0.6°	0.3°
C13	C12	C11	H1	180.0°	179.6°
C13	C12	C11	H2	179.5°	179.8°
C12	C13	C14	H8	179.9°	179.8°
C02	C03	N04	H3	180.0°	180.0°
C03	C02	C10	N01	178.4°	179.7°
C03	C02	C10	C11	166.5°	179.8°
C02	C03	N04	C05	179.6°	180.0°
C02	C03	N04	C09	0.2°	0.2°
C03	C02	N01	C09	0.2°	0.3°
N04	C03	C02	C10	178.9°	180.0°
N04	C03	C02	N01	0.2°	0.3°
C03	N04	C05	C09	179.8°	179.8°
C03	N04	C05	C06	180.0°	180.0°
C03	N04	C09	N01	0.0°	0.0°
C03	N04	C09	C08	179.6°	179.8°
C03	N04	C05	H4	0.1°	0.0°
C02	C10	C11	C12	179.4°	180.0°
C10	C02	N01	C09	178.9°	180.0°
C02	C10	C11	H2	0.6°	0.1°
C10	C02	C03	H3	1.1°	0.0°
C02	C10	C15	H9	0.7°	0.2°
C10	C11	C12	H2	180.0°	179.9°
C11	C10	C02	N01	15.1°	0.1°
C10	C11	C12	H1	179.4°	180.0°
C11	C10	C15	H9	179.0°	179.7°
C11	C12	C13	H7	180.0°	179.9°
C02	N01	C09	N04	0.1°	0.2°
C02	N01	C09	C08	179.4°	179.6°
N01	C02	C03	H3	179.8°	179.7°
N04	C05	C06	H4	180.0°	180.0°
N04	C05	C06	C07	0.2°	0.0°
C05	N04	C09	N01	179.8°	179.9°
C05	N04	C09	C08	0.2°	0.4°
C05	N04	C03	H3	0.4°	0.1°
N04	C05	C06	H5	179.8°	180.0°
C06	C05	N04	C09	0.2°	0.2°
C05	C06	C07	H5	180.0°	179.9°
C05	C06	C07	C08	0.2°	0.0°
C05	C06	C07	H6	179.7°	179.9°
N04	C09	N01	C08	179.5°	179.7°
N04	C09	C08	C07	0.6°	0.4°
N04	C09	C08	C16	179.7°	179.7°
C09	N04	C03	H3	179.9°	179.8°
C09	N04	C05	H4	179.8°	179.8°
C06	C07	C08	C09	0.6°	0.2°
C06	C07	C08	H6	180.0°	179.9°
C06	C07	C08	C16	179.7°	179.9°
C07	C06	C05	H4	179.8°	180.0°
N01	C09	C08	C07	179.9°	179.9°
N01	C09	C08	C16	0.9°	0.1°
C09	C08	C07	C16	179.1°	179.9°
C09	C08	C16	C17	135.7°	114.8°
C09	C08	C16	C21	42.2°	64.8°
C09	C08	C07	H6	179.4°	179.9°
C07	C08	C16	C17	43.4°	65.1°
C07	C08	C16	C21	138.7°	115.3°
C08	C07	C06	H5	179.8°	180.0°
C08	C16	C17	C21	178.1°	179.7°
C08	C16	C17	C18	178.9°	180.0°
C08	C16	C21	C20	179.0°	179.7°
C16	C08	C07	H6	0.3°	0.0°
C08	C16	C17	H10	1.1°	0.1°
C08	C16	C21	H13	1.0°	0.0°
C16	C17	C18	H10	180.0°	179.9°
C17	C16	C21	C20	0.9°	0.6°
C16	C17	C18	C19	0.4°	0.0°
C16	C17	C18	H11	179.6°	180.0°
C17	C16	C21	H13	179.1°	179.7°
C21	C16	C17	C18	0.8°	0.3°
C16	C21	C20	H13	180.0°	179.7°
C16	C21	C20	C19	0.7°	0.6°
C21	C16	C17	H10	179.2°	179.8°
C16	C21	C20	H12	179.3°	179.7°
C17	C18	C19	H11	180.0°	180.0°
C17	C18	C19	C20	0.1°	0.0°
C17	C18	C19	CL1	180.0°	180.0°
C21	C20	C19	C18	0.3°	0.3°
C21	C20	C19	H12	180.0°	179.7°
C21	C20	C19	CL1	179.8°	179.7°
C18	C19	C20	CL1	179.9°	180.0°
C19	C18	C17	H10	179.6°	179.9°
C18	C19	C20	H12	179.7°	179.9°
C20	C19	C18	H11	179.8°	180.0°
C19	C20	C21	H13	179.3°	179.7°
CL1	C19	C18	H11	0.1°	0.0°
CL1	C19	C20	H12	0.2°	0.0°
H1	C12	C11	H2	0.6°	0.1°
H1	C12	C13	H7	0.0°	0.3°
H4	C05	C06	H5	0.2°	0.0°
H5	C06	C07	H6	0.3°	0.0°
H7	C13	C14	H8	0.2°	0.2°
H8	C14	C15	H9	0.4°	0.8°
H10	C17	C18	H11	0.5°	0.1°
H12	C20	C21	H13	0.7°	0.0°

Release date:	2021-01-13
Definition date:	2019-12-20
Last modified:	2021-01-08
Release status:	REL
Processing site:	PDBE
Derived from:	6TRY