303

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N18	C17	doub	1.30Å	1.33Å
N18	H18	sing	0.97Å	1.02Å
C17	N19	sing	1.38Å	1.33Å
C17	C4	sing	1.48Å	1.48Å
N19	H191	sing	0.97Å	1.02Å
N19	H192	sing	0.97Å	1.02Å
C4	C5	doub	1.38Å	1.43Å	Aromatic
C4	C3	sing	1.40Å	1.44Å	Aromatic
C5	C6	sing	1.40Å	1.43Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	C10	doub	1.41Å	1.43Å	Aromatic
C6	C1	sing	1.42Å	1.45Å	Aromatic
C10	C11	sing	1.36Å	1.43Å	Aromatic
C10	H10	sing	1.08Å	1.10Å
C11	C12	doub	1.41Å	1.44Å	Aromatic
C11	H11	sing	1.08Å	1.10Å
C12	C13	sing	1.39Å	1.45Å	Aromatic
C12	C20	sing	1.48Å	1.49Å
C13	C1	doub	1.40Å	1.46Å	Aromatic
C13	H13	sing	1.08Å	1.10Å
C1	C2	sing	1.41Å	1.46Å	Aromatic
C2	C3	doub	1.36Å	1.44Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
C3	H3	sing	1.08Å	1.10Å
C20	O21	doub	1.21Å	1.23Å
C20	N22	sing	1.35Å	1.37Å
N22	C23	sing	1.40Å	1.39Å
N22	H22	sing	0.97Å	1.02Å
C23	C28	doub	1.39Å	1.41Å	Aromatic
C23	C24	sing	1.39Å	1.41Å	Aromatic
C28	C27	sing	1.39Å	1.41Å	Aromatic
C28	H28	sing	1.08Å	1.10Å
C27	C26	doub	1.38Å	1.42Å	Aromatic
C27	C35	sing	1.50Å	1.53Å
C26	C25	sing	1.39Å	1.41Å	Aromatic
C26	C32	sing	1.51Å	1.52Å
C25	C24	doub	1.38Å	1.40Å	Aromatic
C25	H25	sing	1.08Å	1.10Å
C24	H24	sing	1.08Å	1.10Å
C32	C33	sing	1.53Å	1.53Å
C32	H321	sing	1.09Å	1.12Å
C32	H322	sing	1.09Å	1.11Å
C33	N34	sing	1.47Å	1.46Å
C33	H331	sing	1.09Å	1.12Å
C33	H332	sing	1.09Å	1.12Å
N34	C35	sing	1.46Å	1.47Å
N34	H34	sing	1.01Å	1.02Å
C35	C40	sing	1.53Å	1.54Å
C35	H35	sing	1.09Å	1.12Å
C40	C42	sing	1.53Å	1.55Å
C40	C46	sing	1.53Å	1.53Å
C40	H40	sing	1.09Å	1.12Å
C42	H421	sing	1.09Å	1.11Å
C42	H422	sing	1.09Å	1.12Å
C42	H423	sing	1.09Å	1.12Å
C46	H461	sing	1.09Å	1.11Å
C46	H462	sing	1.09Å	1.12Å
C46	H463	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C17	N18	H18	119.1°	120.0°
N18	C17	N19	118.4°	119.9°
N18	C17	C4	121.1°	120.0°
N19	C17	C4	120.6°	120.1°
C17	N19	H191	118.3°	120.1°
C17	N19	H192	109.0°	119.9°
C17	C4	C5	118.3°	119.7°
C17	C4	C3	123.6°	119.7°
H191	N19	H192	109.0°	119.9°
C5	C4	C3	118.0°	120.6°
C4	C5	C6	123.8°	119.5°
C4	C5	H5	118.4°	120.2°
C4	C3	C2	118.7°	120.8°
C4	C3	H3	120.7°	119.6°
C6	C5	H5	117.8°	120.3°
C5	C6	C10	120.8°	120.9°
C5	C6	C1	119.4°	119.4°
C10	C6	C1	119.8°	119.7°
C6	C10	C11	121.6°	120.0°
C6	C10	H10	119.4°	120.0°
C6	C1	C13	118.1°	119.5°
C6	C1	C2	116.4°	119.7°
C11	C10	H10	119.0°	120.0°
C10	C11	C12	120.4°	120.9°
C10	C11	H11	119.5°	119.6°
C12	C11	H11	120.1°	119.6°
C11	C12	C13	118.7°	120.5°
C11	C12	C20	114.0°	119.8°
C13	C12	C20	127.3°	119.8°
C12	C13	C1	121.3°	119.5°
C12	C13	H13	119.0°	120.2°
C12	C20	O21	120.5°	120.0°
C12	C20	N22	117.6°	120.0°
C1	C13	H13	119.6°	120.2°
C13	C1	C2	125.4°	120.9°
C1	C2	C3	123.6°	120.0°
C1	C2	H2	119.0°	120.0°
C3	C2	H2	117.4°	120.0°
C2	C3	H3	120.6°	119.5°
O21	C20	N22	122.0°	120.1°
C20	N22	C23	126.7°	120.0°
C20	N22	H22	115.9°	120.0°
C23	N22	H22	117.4°	120.0°
N22	C23	C28	124.5°	120.1°
N22	C23	C24	117.0°	120.1°
C28	C23	C24	118.5°	119.8°
C23	C28	C27	120.9°	120.3°
C23	C28	H28	119.7°	119.9°
C23	C24	C25	121.6°	119.8°
C23	C24	H24	119.7°	120.1°
C27	C28	H28	119.4°	119.8°
C28	C27	C26	119.1°	119.7°
C28	C27	C35	121.9°	118.8°
C26	C27	C35	119.1°	121.5°
C27	C26	C25	120.2°	120.2°
C27	C26	C32	120.8°	120.9°
C27	C35	N34	113.5°	110.8°
C27	C35	C40	114.4°	109.2°
C27	C35	H35	102.5°	109.2°
C25	C26	C32	118.9°	118.9°
C26	C25	C24	119.4°	120.3°
C26	C25	H25	120.5°	119.9°
C26	C32	C33	111.9°	109.5°
C26	C32	H321	111.3°	109.5°
C26	C32	H322	111.3°	109.5°
C24	C25	H25	120.1°	119.8°
C25	C24	H24	118.8°	120.1°
C33	C32	H321	111.3°	109.5°
C33	C32	H322	111.3°	109.5°
C32	C33	N34	106.8°	108.7°
C32	C33	H331	113.2°	109.6°
C32	C33	H332	113.2°	109.6°
H321	C32	H322	99.0°	109.5°
N34	C33	H331	113.3°	109.6°
N34	C33	H332	113.3°	109.6°
C33	N34	C35	112.7°	106.7°
C33	N34	H34	111.0°	106.7°
H331	C33	H332	97.2°	109.7°
C35	N34	H34	111.0°	106.7°
N34	C35	C40	108.4°	109.3°
N34	C35	H35	109.3°	109.2°
C40	C35	H35	108.4°	109.2°
C35	C40	C42	114.2°	109.5°
C35	C40	C46	112.2°	109.4°
C35	C40	H40	105.9°	109.5°
C42	C40	C46	114.4°	109.5°
C42	C40	H40	103.2°	109.4°
C40	C42	H421	114.2°	109.5°
C40	C42	H422	110.4°	109.5°
C40	C42	H423	110.4°	109.4°
C46	C40	H40	105.6°	109.5°
C40	C46	H461	112.2°	109.5°
C40	C46	H462	111.2°	109.5°
C40	C46	H463	111.2°	109.5°
H421	C42	H422	110.6°	109.4°
H421	C42	H423	110.5°	109.5°
H422	C42	H423	99.8°	109.5°
H461	C46	H462	111.2°	109.4°
H461	C46	H463	111.2°	109.5°
H462	C46	H463	99.1°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N18	C17	N19	C4	179.2°	179.9°
N18	C17	N19	H191	180.0°	0.1°
N18	C17	N19	H192	54.7°	180.0°
N18	C17	C4	C5	153.4°	0.1°
N18	C17	C4	C3	23.2°	180.0°
H18	N18	C17	N19	21.3°	0.0°
H18	N18	C17	C4	159.6°	179.9°
C17	N19	H191	H192	125.2°	180.0°
N19	C17	C4	C5	25.7°	180.0°
N19	C17	C4	C3	157.7°	0.1°
C4	C17	N19	H191	0.8°	180.0°
C4	C17	N19	H192	124.4°	0.1°
C17	C4	C5	C3	176.8°	179.9°
C17	C4	C5	C6	175.9°	179.9°
C17	C4	C5	H5	4.1°	0.1°
C17	C4	C3	C2	175.4°	180.0°
C17	C4	C3	H3	4.6°	0.1°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	C10	179.9°	180.0°
C4	C5	C6	C1	0.2°	0.1°
C5	C4	C3	C2	1.2°	0.1°
C5	C4	C3	H3	178.8°	180.0°
C3	C4	C5	C6	0.8°	0.0°
C3	C4	C5	H5	179.2°	180.0°
C4	C3	C2	C1	0.6°	0.1°
C4	C3	C2	H3	180.0°	179.9°
C4	C3	C2	H2	179.4°	180.0°
C5	C6	C10	C1	179.9°	179.9°
C5	C6	C10	C11	180.0°	180.0°
C5	C6	C10	H10	0.1°	0.0°
C5	C6	C1	C13	179.8°	179.8°
C5	C6	C1	C2	0.7°	0.1°
H5	C5	C6	C10	0.1°	0.0°
H5	C5	C6	C1	179.8°	179.9°
C6	C10	C11	H10	180.0°	180.0°
C6	C10	C11	C12	0.3°	0.0°
C6	C10	C11	H11	179.6°	180.0°
C10	C6	C1	C13	0.3°	0.3°
C10	C6	C1	C2	179.4°	180.0°
C1	C6	C10	C11	0.1°	0.1°
C1	C6	C10	H10	179.9°	180.0°
C6	C1	C13	C12	0.1°	0.5°
C6	C1	C13	C2	179.0°	179.7°
C6	C1	C13	H13	179.9°	179.7°
C6	C1	C2	C3	0.4°	0.0°
C6	C1	C2	H2	179.7°	180.0°
C10	C11	C12	H11	180.0°	180.0°
C10	C11	C12	C13	0.5°	0.2°
C10	C11	C12	C20	178.5°	179.9°
H10	C10	C11	C12	179.6°	180.0°
H10	C10	C11	H11	0.4°	0.0°
C11	C12	C13	C20	178.9°	179.8°
C11	C12	C13	C1	0.3°	0.5°
C11	C12	C13	H13	179.7°	179.7°
C11	C12	C20	O21	26.1°	179.9°
C11	C12	C20	N22	152.9°	0.1°
H11	C11	C12	C13	179.5°	179.8°
H11	C11	C12	C20	1.5°	0.1°
C12	C13	C1	H13	180.0°	179.8°
C12	C13	C1	C2	179.1°	179.8°
C13	C12	C20	O21	154.9°	0.2°
C13	C12	C20	N22	26.0°	179.7°
C20	C12	C13	C1	178.6°	179.7°
C20	C12	C13	H13	1.4°	0.1°
C12	C20	O21	N22	179.0°	180.0°
C12	C20	N22	C23	168.2°	174.4°
C12	C20	N22	H22	11.8°	5.4°
C13	C1	C2	C3	179.4°	179.7°
C13	C1	C2	H2	0.7°	0.2°
H13	C13	C1	C2	0.9°	0.0°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	H3	179.4°	180.0°
H2	C2	C3	H3	0.6°	0.1°
O21	C20	N22	C23	10.8°	5.6°
O21	C20	N22	H22	169.1°	174.5°
C20	N22	C23	H22	179.9°	179.9°
C20	N22	C23	C28	34.8°	142.7°
C20	N22	C23	C24	147.5°	37.3°
N22	C23	C28	C24	177.7°	180.0°
N22	C23	C28	C27	176.3°	179.9°
N22	C23	C28	H28	3.7°	0.0°
N22	C23	C24	C25	172.3°	180.0°
N22	C23	C24	H24	7.6°	0.0°
H22	N22	C23	C28	145.2°	37.4°
H22	N22	C23	C24	32.5°	142.6°
C23	C28	C27	H28	180.0°	180.0°
C23	C28	C27	C26	4.0°	0.1°
C23	C28	C27	C35	175.0°	179.9°
C28	C23	C24	C25	5.5°	0.1°
C28	C23	C24	H24	174.5°	180.0°
C24	C23	C28	C27	1.4°	0.1°
C24	C23	C28	H28	178.6°	179.9°
C23	C24	C25	C26	4.2°	0.0°
C23	C24	C25	H24	180.0°	180.0°
C23	C24	C25	H25	175.8°	180.0°
C28	C27	C26	C35	179.0°	179.8°
C28	C27	C26	C25	5.4°	0.0°
C28	C27	C26	C32	174.6°	180.0°
C28	C27	C35	N34	172.0°	159.5°
C28	C27	C35	C40	46.9°	39.1°
C28	C27	C35	H35	70.2°	80.2°
H28	C28	C27	C26	176.0°	180.0°
H28	C28	C27	C35	5.0°	0.1°
C27	C26	C25	C32	180.0°	179.9°
C27	C26	C25	C24	1.4°	0.0°
C27	C26	C25	H25	178.6°	180.0°
C27	C26	C32	C33	17.0°	15.4°
C27	C26	C32	H321	142.3°	104.6°
C27	C26	C32	H322	108.3°	135.5°
C26	C27	C35	N34	7.0°	20.7°
C26	C27	C35	C40	132.1°	141.1°
C26	C27	C35	H35	110.8°	99.6°
C35	C27	C26	C25	173.6°	179.9°
C35	C27	C26	C32	6.4°	0.2°
C27	C35	N34	C33	46.0°	56.4°
C27	C35	N34	C40	128.3°	120.4°
C27	C35	N34	H35	113.8°	120.3°
C27	C35	N34	H34	79.3°	170.2°
C27	C35	C40	H35	113.7°	119.3°
C27	C35	C40	C42	68.9°	179.3°
C27	C35	C40	C46	158.7°	60.7°
C27	C35	C40	H40	44.0°	59.3°
C26	C25	C24	H25	180.0°	180.0°
C26	C25	C24	H24	175.9°	180.0°
C25	C26	C32	C33	163.0°	164.6°
C25	C26	C32	H321	37.7°	75.4°
C25	C26	C32	H322	71.7°	44.6°
C32	C26	C25	C24	178.6°	179.9°
C32	C26	C25	H25	1.4°	0.1°
C26	C32	C33	H321	125.3°	120.0°
C26	C32	C33	H322	125.3°	120.0°
C26	C32	H321	H322	117.2°	120.0°
C26	C32	C33	N34	52.6°	51.8°
C26	C32	C33	H331	72.7°	171.7°
C26	C32	C33	H332	178.0°	67.9°
H25	C25	C24	H24	4.1°	0.1°
C33	C32	H321	H322	117.2°	120.0°
C32	C33	N34	H331	125.3°	119.8°
C32	C33	N34	H332	125.3°	119.8°
C32	C33	H331	H332	119.1°	120.4°
C32	C33	N34	C35	69.2°	74.6°
C32	C33	N34	H34	56.1°	171.7°
H321	C32	C33	N34	177.9°	68.2°
H321	C32	C33	H331	52.6°	51.7°
H321	C32	C33	H332	56.8°	172.1°
H322	C32	C33	N34	72.7°	171.8°
H322	C32	C33	H331	162.0°	68.3°
H322	C32	C33	H332	52.7°	52.1°
N34	C33	H331	H332	119.2°	120.4°
C33	N34	C35	H34	125.2°	113.8°
C33	N34	C35	C40	174.3°	176.8°
C33	N34	C35	H35	67.8°	63.9°
H331	C33	N34	C35	56.1°	165.7°
H331	C33	N34	H34	178.6°	51.9°
H332	C33	N34	C35	165.5°	45.2°
H332	C33	N34	H34	69.2°	68.6°
N34	C35	C40	H35	118.5°	119.4°
N34	C35	C40	C42	58.9°	59.3°
N34	C35	C40	C46	73.5°	60.7°
N34	C35	C40	H40	171.8°	179.4°
H34	N34	C35	C40	49.0°	69.5°
H34	N34	C35	H35	167.0°	49.9°
C35	C40	C42	C46	131.3°	120.0°
C35	C40	C42	H40	114.4°	120.1°
C35	C40	C46	H40	114.9°	120.0°
C35	C40	C42	H421	180.0°	179.9°
C35	C40	C42	H422	54.7°	60.1°
C35	C40	C42	H423	54.7°	59.9°
C35	C40	C46	H461	180.0°	59.9°
C35	C40	C46	H462	54.7°	60.0°
C35	C40	C46	H463	54.7°	180.0°
H35	C35	C40	C42	177.4°	60.0°
H35	C35	C40	C46	45.1°	180.0°
H35	C35	C40	H40	69.7°	60.0°
C42	C40	C46	H40	112.8°	120.0°
C40	C42	H421	H422	125.3°	120.0°
C40	C42	H421	H423	125.2°	120.0°
C40	C42	H422	H423	116.3°	120.0°
C42	C40	C46	H461	47.8°	60.1°
C42	C40	C46	H462	173.1°	180.0°
C42	C40	C46	H463	77.5°	60.0°
C46	C40	C42	H421	48.7°	60.0°
C46	C40	C42	H422	76.6°	180.0°
C46	C40	C42	H423	174.0°	60.0°
C40	C46	H461	H462	125.3°	120.0°
C40	C46	H461	H463	125.3°	120.1°
C40	C46	H462	H463	117.0°	120.0°
H40	C40	C42	H421	65.6°	60.0°
H40	C40	C42	H422	169.1°	60.0°
H40	C40	C42	H423	59.7°	180.0°
H40	C40	C46	H461	65.1°	180.0°
H40	C40	C46	H462	60.2°	60.0°
H40	C40	C46	H463	169.6°	59.9°
H421	C42	H422	H423	116.4°	120.0°
H461	C46	H462	H463	117.1°	120.0°

Definition date:	2003-04-09
Last modified:	2021-03-13
Release status:	REL
Processing site:	RCSB
Derived from:	1OWK