W8M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C29	C28	doub	1.31Å	1.31Å
C23	C22	doub	1.38Å	1.39Å	Aromatic
C23	C24	sing	1.38Å	1.38Å	Aromatic
C22	C21	sing	1.38Å	1.39Å	Aromatic
C27	C28	sing	1.51Å	1.53Å
C27	C24	sing	1.51Å	1.53Å
C24	C25	doub	1.38Å	1.38Å	Aromatic
C21	C20	doub	1.39Å	1.39Å	Aromatic
C25	C20	sing	1.40Å	1.39Å	Aromatic
C25	O26	sing	1.36Å	1.40Å
C20	C19	sing	1.48Å	1.53Å
O26	C30	sing	1.34Å	1.40Å
O32	C30	doub	1.21Å	1.18Å
C30	C31	sing	1.51Å	1.52Å
C19	N08	sing	1.37Å	1.34Å	Aromatic
C19	N09	doub	1.31Å	1.33Å	Aromatic
C34	O33	sing	1.43Å	1.40Å
N08	C07	sing	1.38Å	1.32Å	Aromatic
N09	C10	sing	1.34Å	1.31Å	Aromatic
O33	C31	sing	1.43Å	1.39Å
CL17	C04	sing	1.74Å	1.79Å
C07	C10	doub	1.38Å	1.37Å	Aromatic
C07	C05	sing	1.48Å	1.53Å
C10	C11	sing	1.48Å	1.53Å
C05	C04	doub	1.40Å	1.39Å	Aromatic
C05	C06	sing	1.40Å	1.38Å	Aromatic
C04	C03	sing	1.38Å	1.39Å	Aromatic
C16	C11	doub	1.39Å	1.38Å	Aromatic
C16	C15	sing	1.38Å	1.38Å	Aromatic
C11	C12	sing	1.40Å	1.39Å	Aromatic
C06	C01	doub	1.38Å	1.38Å	Aromatic
C03	C02	doub	1.38Å	1.39Å	Aromatic
C01	C02	sing	1.38Å	1.38Å	Aromatic
C15	C14	doub	1.38Å	1.38Å	Aromatic
C12	CL18	sing	1.74Å	1.78Å
C12	C13	doub	1.38Å	1.38Å	Aromatic
C14	C13	sing	1.38Å	1.38Å	Aromatic
C13	H131	sing	1.08Å	1.08Å
C15	H151	sing	1.08Å	1.08Å
C21	H211	sing	1.08Å	1.08Å
C22	H221	sing	1.08Å	1.08Å
C28	H281	sing	1.08Å	1.08Å
C01	H011	sing	1.08Å	1.08Å
C02	H021	sing	1.08Å	1.08Å
C03	H031	sing	1.08Å	1.08Å
C06	H061	sing	1.08Å	1.08Å
C14	H141	sing	1.08Å	1.08Å
C16	H161	sing	1.08Å	1.08Å
C23	H231	sing	1.08Å	1.08Å
C27	H272	sing	1.09Å	1.10Å
C27	H271	sing	1.09Å	1.10Å
C29	H291	sing	1.08Å	1.08Å
C29	H292	sing	1.08Å	1.08Å
C31	H312	sing	1.09Å	1.10Å
C31	H311	sing	1.09Å	1.10Å
C34	H343	sing	1.09Å	1.10Å
C34	H342	sing	1.09Å	1.10Å
C34	H341	sing	1.09Å	1.10Å
N08	H1	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C29	C28	C27	121.2°	120.0°
C29	C28	H281	119.4°	120.0°
C28	C29	H291	120.0°	120.0°
C28	C29	H292	120.0°	120.0°
C22	C23	C24	120.0°	120.4°
C23	C22	C21	120.2°	120.2°
C23	C22	H221	119.9°	119.9°
C22	C23	H231	120.0°	119.8°
C23	C24	C27	119.2°	120.0°
C23	C24	C25	120.0°	120.1°
C24	C23	H231	120.0°	119.8°
C22	C21	C20	119.8°	119.9°
C22	C21	H211	120.1°	120.0°
C21	C22	H221	119.9°	119.9°
C28	C27	C24	107.3°	109.5°
C27	C28	H281	119.4°	120.0°
C28	C27	H272	110.0°	109.4°
C28	C27	H271	110.0°	109.5°
C27	C24	C25	120.8°	120.0°
C24	C27	H272	110.0°	109.5°
C24	C27	H271	110.0°	109.5°
C24	C25	C20	120.2°	119.7°
C24	C25	O26	118.9°	120.1°
C21	C20	C25	119.7°	119.7°
C21	C20	C19	121.3°	120.2°
C20	C21	H211	120.1°	120.1°
C20	C25	O26	120.9°	120.1°
C25	C20	C19	118.9°	120.1°
C25	O26	C30	110.8°	117.0°
C20	C19	N08	129.2°	125.5°
C20	C19	N09	123.8°	125.4°
O26	C30	O32	120.6°	120.0°
O26	C30	C31	119.6°	119.9°
O32	C30	C31	119.8°	120.0°
C30	C31	O33	109.9°	109.4°
C30	C31	H312	109.4°	109.5°
C30	C31	H311	109.4°	109.5°
N08	C19	N09	107.1°	109.2°
C19	N08	C07	108.6°	107.1°
C19	N08	H1	125.7°	126.4°
C19	N09	C10	109.7°	109.5°
C34	O33	C31	109.6°	114.0°
O33	C34	H343	109.5°	109.5°
O33	C34	H342	109.5°	109.5°
O33	C34	H341	109.4°	109.5°
N08	C07	C10	107.1°	106.4°
N08	C07	C05	125.5°	126.7°
C07	N08	H1	125.7°	126.4°
N09	C10	C07	107.5°	107.8°
N09	C10	C11	120.4°	126.1°
O33	C31	H312	109.3°	109.5°
O33	C31	H311	109.4°	109.4°
CL17	C04	C05	121.0°	120.1°
CL17	C04	C03	119.2°	120.1°
C10	C07	C05	127.4°	126.9°
C07	C10	C11	132.1°	126.1°
C07	C05	C04	121.8°	120.2°
C07	C05	C06	119.2°	120.2°
C10	C11	C16	115.6°	120.2°
C10	C11	C12	124.8°	120.1°
C04	C05	C06	119.1°	119.7°
C05	C04	C03	119.9°	119.8°
C05	C06	C01	121.1°	119.9°
C05	C06	H061	119.4°	120.1°
C04	C03	C02	120.6°	120.1°
C04	C03	H031	119.7°	119.9°
C11	C16	C15	121.1°	119.9°
C16	C11	C12	119.5°	119.7°
C11	C16	H161	119.4°	120.0°
C16	C15	C14	119.3°	120.2°
C16	C15	H151	120.3°	119.9°
C15	C16	H161	119.5°	120.1°
C11	C12	CL18	122.8°	120.1°
C11	C12	C13	119.3°	119.9°
C06	C01	C02	119.7°	120.2°
C06	C01	H011	120.2°	119.9°
C01	C06	H061	119.5°	120.1°
C03	C02	C01	119.6°	120.3°
C03	C02	H021	120.2°	119.8°
C02	C03	H031	119.7°	120.0°
C02	C01	H011	120.1°	119.9°
C01	C02	H021	120.2°	119.8°
C15	C14	C13	120.0°	120.3°
C14	C15	H151	120.4°	120.0°
C15	C14	H141	120.0°	119.9°
CL18	C12	C13	117.9°	120.1°
C12	C13	C14	120.8°	120.1°
C12	C13	H131	119.6°	119.9°
C14	C13	H131	119.6°	119.9°
C13	C14	H141	120.0°	119.8°
H272	C27	H271	109.5°	109.4°
H291	C29	H292	120.0°	120.1°
H312	C31	H311	109.5°	109.5°
H343	C34	H342	109.5°	109.4°
H343	C34	H341	109.5°	109.5°
H342	C34	H341	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C29	C28	C27	H281	180.0°	179.9°
C29	C28	C27	C24	141.8°	125.0°
C29	C28	C27	H272	22.2°	4.9°
C29	C28	C27	H271	98.5°	115.0°
C28	C29	H291	H292	180.0°	179.9°
C22	C23	C24	H231	180.0°	180.0°
C23	C22	C21	H221	180.0°	180.0°
C22	C23	C24	C27	179.6°	179.7°
C22	C23	C24	C25	0.2°	0.3°
C23	C22	C21	C20	1.0°	0.0°
C23	C22	C21	H211	179.0°	180.0°
C24	C23	C22	C21	0.0°	0.0°
C23	C24	C27	C28	72.6°	94.4°
C23	C24	C27	C25	179.8°	179.4°
C23	C24	C25	C20	0.6°	0.6°
C23	C24	C25	O26	179.5°	180.0°
C24	C23	C22	H221	180.0°	180.0°
C23	C24	C27	H272	47.1°	25.6°
C23	C24	C27	H271	167.8°	145.6°
C22	C21	C20	H211	180.0°	180.0°
C22	C21	C20	C25	1.8°	0.3°
C22	C21	C20	C19	179.5°	180.0°
C21	C22	C23	H231	180.0°	180.0°
C28	C27	C24	H272	119.7°	120.0°
C28	C27	C24	H271	119.6°	120.0°
C28	C27	C24	C25	107.2°	85.0°
C28	C27	H272	H271	121.0°	120.0°
C27	C28	C29	H291	180.0°	0.1°
C27	C28	C29	H292	0.0°	180.0°
C27	C24	C25	C20	179.6°	179.9°
C27	C24	C25	O26	0.7°	0.6°
C24	C27	C28	H281	38.2°	55.0°
C27	C24	C23	H231	0.4°	0.4°
C24	C27	H272	H271	121.0°	120.0°
C24	C25	C20	C21	1.6°	0.6°
C24	C25	C20	O26	178.9°	179.5°
C24	C25	C20	C19	179.4°	179.7°
C24	C25	O26	C30	85.6°	84.1°
C25	C24	C23	H231	179.8°	179.7°
C25	C24	C27	H272	133.1°	155.0°
C25	C24	C27	H271	12.5°	35.0°
C21	C20	C25	C19	177.8°	179.7°
C21	C20	C25	O26	179.5°	180.0°
C21	C20	C19	N08	20.3°	179.1°
C21	C20	C19	N09	161.2°	0.5°
C20	C21	C22	H221	179.0°	179.9°
C20	C25	O26	C30	95.5°	95.4°
C25	C20	C19	N08	162.0°	1.2°
C25	C20	C19	N09	16.6°	179.1°
C25	C20	C21	H211	178.2°	179.7°
O26	C25	C20	C19	1.7°	0.3°
C25	O26	C30	O32	28.6°	5.6°
C25	O26	C30	C31	151.9°	174.3°
C20	C19	N08	N09	178.7°	179.7°
C20	C19	N08	C07	179.6°	180.0°
C20	C19	N09	C10	180.0°	179.8°
C19	C20	C21	H211	0.5°	0.0°
C20	C19	N08	H1	0.5°	0.3°
O26	C30	O32	C31	179.5°	180.0°
O26	C30	C31	O33	41.5°	174.9°
O26	C30	C31	H312	161.6°	54.9°
O26	C30	C31	H311	78.6°	65.2°
O32	C30	C31	O33	138.0°	5.1°
O32	C30	C31	H312	17.9°	125.2°
O32	C30	C31	H311	102.0°	114.7°
C30	C31	O33	C34	70.9°	180.0°
C30	C31	O33	H312	120.1°	120.1°
C30	C31	O33	H311	120.1°	120.0°
C30	C31	H312	H311	119.8°	120.1°
C19	N08	C07	H1	180.0°	179.8°
N08	C19	N09	C10	1.2°	0.5°
C19	N08	C07	C10	0.2°	0.0°
C19	N08	C07	C05	179.6°	180.0°
N09	C19	N08	C07	0.9°	0.3°
C19	N09	C10	C07	1.1°	0.5°
C19	N09	C10	C11	179.8°	179.9°
N09	C19	N08	H1	179.2°	180.0°
C34	O33	C31	H312	49.2°	59.9°
C34	O33	C31	H311	169.0°	60.1°
O33	C34	H343	H342	120.0°	120.0°
O33	C34	H343	H341	120.0°	120.0°
O33	C34	H342	H341	120.0°	120.1°
N08	C07	C10	N09	0.5°	0.3°
N08	C07	C10	C05	179.8°	179.9°
N08	C07	C10	C11	179.0°	179.9°
N08	C07	C05	C04	45.8°	113.5°
N08	C07	C05	C06	134.2°	66.8°
N09	C10	C07	C11	178.4°	179.7°
N09	C10	C07	C05	179.7°	179.8°
N09	C10	C11	C16	42.8°	131.8°
N09	C10	C11	C12	134.8°	48.2°
O33	C31	H312	H311	119.8°	119.9°
C31	O33	C34	H343	180.0°	60.1°
C31	O33	C34	H342	60.0°	180.0°
C31	O33	C34	H341	60.0°	59.9°
CL17	C04	C05	C07	0.5°	0.1°
CL17	C04	C05	C03	179.6°	179.9°
CL17	C04	C05	C06	179.5°	179.8°
CL17	C04	C03	C02	179.8°	179.9°
CL17	C04	C03	H031	0.2°	0.0°
C10	C07	C05	C04	133.9°	66.4°
C10	C07	C05	C06	46.1°	113.2°
C07	C10	C11	C16	135.5°	47.7°
C07	C10	C11	C12	46.9°	132.2°
C10	C07	N08	H1	179.8°	179.7°
C05	C07	C10	C11	1.3°	0.1°
C07	C05	C04	C06	180.0°	179.7°
C07	C05	C04	C03	179.8°	180.0°
C07	C05	C06	C01	179.5°	179.8°
C07	C05	C06	H061	0.5°	0.3°
C05	C07	N08	H1	0.4°	0.2°
C10	C11	C16	C12	177.8°	179.9°
C10	C11	C16	C15	179.0°	179.7°
C10	C11	C12	CL18	2.0°	0.0°
C10	C11	C12	C13	178.8°	180.0°
C10	C11	C16	H161	1.0°	0.1°
C04	C05	C06	C01	0.5°	0.6°
C05	C04	C03	C02	0.1°	0.0°
C05	C04	C03	H031	179.9°	179.9°
C04	C05	C06	H061	179.5°	179.9°
C06	C05	C04	C03	0.2°	0.3°
C05	C06	C01	H061	180.0°	179.5°
C05	C06	C01	C02	0.6°	0.6°
C05	C06	C01	H011	179.4°	179.7°
C04	C03	C02	H031	180.0°	179.9°
C04	C03	C02	C01	0.1°	0.0°
C04	C03	C02	H021	180.0°	180.0°
C11	C16	C15	H161	180.0°	179.6°
C11	C16	C15	C14	0.5°	0.3°
C16	C11	C12	CL18	179.5°	179.9°
C16	C11	C12	C13	1.2°	0.1°
C11	C16	C15	H151	179.5°	179.7°
C15	C16	C11	C12	1.2°	0.4°
C16	C15	C14	H151	180.0°	180.0°
C16	C15	C14	C13	0.1°	0.0°
C16	C15	C14	H141	179.9°	180.0°
C11	C12	CL18	C13	179.2°	179.9°
C11	C12	C13	C14	0.6°	0.2°
C11	C12	C13	H131	179.4°	180.0°
C12	C11	C16	H161	178.8°	180.0°
C06	C01	C02	C03	0.3°	0.3°
C06	C01	C02	H011	180.0°	179.8°
C06	C01	C02	H021	179.7°	179.7°
C03	C02	C01	H021	180.0°	179.9°
C03	C02	C01	H011	179.7°	180.0°
C01	C02	C03	H031	179.9°	179.9°
C02	C01	C06	H061	179.4°	180.0°
C15	C14	C13	C12	0.1°	0.2°
C15	C14	C13	H141	180.0°	179.9°
C15	C14	C13	H131	179.9°	180.0°
C14	C15	C16	H161	179.5°	180.0°
CL18	C12	C13	C14	179.9°	179.8°
CL18	C12	C13	H131	0.1°	0.0°
C12	C13	C14	H131	180.0°	179.8°
C12	C13	C14	H141	179.9°	179.7°
C13	C14	C15	H151	179.9°	180.0°
H131	C13	C14	H141	0.0°	0.1°
H151	C15	C14	H141	0.1°	0.0°
H151	C15	C16	H161	0.5°	0.0°
H211	C21	C22	H221	1.0°	0.0°
H221	C22	C23	H231	0.0°	0.0°
H281	C28	C27	H272	157.9°	175.0°
H281	C28	C27	H271	81.4°	65.1°
H281	C28	C29	H291	0.0°	180.0°
H281	C28	C29	H292	180.0°	0.1°
H011	C01	C02	H021	0.3°	0.1°
H011	C01	C06	H061	0.6°	0.2°
H021	C02	C03	H031	0.0°	0.1°
H343	C34	H342	H341	120.0°	119.9°

Release date:	2021-09-01
Definition date:	2020-09-29
Last modified:	2021-08-27
Release status:	REL
Processing site:	RCSB
Derived from:	7JXT