FR6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N2	sing	1.35Å	1.47Å	Aromatic
C1	C5	doub	1.36Å	1.34Å	Aromatic
C1	H1	sing	1.08Å	1.10Å
N2	C3	sing	1.36Å	1.33Å	Aromatic
N2	C13	sing	1.46Å	1.46Å
C3	N4	doub	1.30Å	1.35Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
N4	C5	sing	1.36Å	1.48Å	Aromatic
C5	C8	sing	1.47Å	1.49Å
C8	O9	doub	1.22Å	1.22Å
C8	N10	sing	1.35Å	1.31Å
N10	H101	sing	0.97Å	1.02Å
N10	H102	sing	0.97Å	1.02Å
C13	C14	sing	1.53Å	1.59Å
C13	C18	sing	1.53Å	1.54Å
C13	H13	sing	1.09Å	1.12Å
C14	O15	sing	1.43Å	1.47Å
C14	C9	sing	1.53Å	1.55Å
C14	H14	sing	1.09Å	1.12Å
O15	HO	sing	0.97Å	0.95Å
C18	C19	sing	1.53Å	1.56Å
C18	H181	sing	1.09Å	1.11Å
C18	H182	sing	1.09Å	1.11Å
C19	C22	sing	1.51Å	1.52Å
C19	H191	sing	1.09Å	1.12Å
C19	H192	sing	1.09Å	1.11Å
C22	C25	doub	1.36Å	1.41Å	Aromatic
C22	C29	sing	1.41Å	1.42Å	Aromatic
C25	C26	sing	1.39Å	1.40Å	Aromatic
C25	H25	sing	1.08Å	1.10Å
C26	C27	doub	1.36Å	1.40Å	Aromatic
C26	H26	sing	1.08Å	1.10Å
C27	C28	sing	1.41Å	1.40Å	Aromatic
C27	H27	sing	1.08Å	1.10Å
C28	C29	doub	1.42Å	1.40Å	Aromatic
C28	C2	sing	1.40Å	1.41Å	Aromatic
C29	C4	sing	1.41Å	1.42Å	Aromatic
C2	C6	doub	1.36Å	1.39Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
C4	C7	doub	1.36Å	1.41Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C6	C7	sing	1.39Å	1.40Å	Aromatic
C6	H6	sing	1.08Å	1.10Å
C7	H7	sing	1.08Å	1.10Å
C9	H91	sing	1.09Å	1.11Å
C9	H92	sing	1.09Å	1.11Å
C9	H93	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	C1	C5	106.2°	106.9°
N2	C1	H1	130.3°	126.5°
C1	N2	C3	107.8°	107.7°
C1	N2	C13	126.9°	126.2°
C5	C1	H1	123.4°	126.6°
C1	C5	N4	108.1°	107.5°
C1	C5	C8	128.3°	126.3°
C3	N2	C13	125.3°	126.1°
N2	C3	N4	111.3°	109.0°
N2	C3	H3	123.9°	125.5°
N2	C13	C14	113.3°	109.5°
N2	C13	C18	111.1°	109.4°
N2	C13	H13	107.7°	109.5°
N4	C3	H3	124.8°	125.5°
C3	N4	C5	105.9°	108.9°
N4	C5	C8	123.6°	126.2°
C5	C8	O9	124.7°	120.0°
C5	C8	N10	116.7°	120.0°
O9	C8	N10	118.3°	120.0°
C8	N10	H101	116.7°	120.0°
C8	N10	H102	118.4°	120.0°
H101	N10	H102	124.7°	120.0°
C14	C13	C18	114.8°	109.4°
C14	C13	H13	103.3°	109.5°
C13	C14	O15	119.9°	109.5°
C13	C14	C9	115.5°	109.4°
C13	C14	H14	95.6°	109.4°
C18	C13	H13	105.9°	109.5°
C13	C18	C19	116.3°	109.5°
C13	C18	H181	109.7°	109.5°
C13	C18	H182	109.7°	109.5°
O15	C14	C9	108.0°	109.5°
O15	C14	H14	105.4°	109.5°
C14	O15	HO	119.9°	106.8°
C9	C14	H14	111.1°	109.5°
C14	C9	H91	110.0°	109.5°
C14	C9	H92	115.5°	109.5°
C14	C9	H93	110.0°	109.4°
C19	C18	H181	109.7°	109.5°
C19	C18	H182	109.7°	109.4°
C18	C19	C22	109.5°	109.5°
C18	C19	H191	112.2°	109.5°
C18	C19	H192	112.2°	109.4°
H181	C18	H182	100.5°	109.5°
C22	C19	H191	112.2°	109.5°
C22	C19	H192	112.2°	109.5°
C19	C22	C25	119.7°	120.2°
C19	C22	C29	120.5°	120.1°
H191	C19	H192	98.2°	109.4°
C25	C22	C29	118.5°	119.7°
C22	C25	C26	121.5°	121.0°
C22	C25	H25	119.7°	119.5°
C22	C29	C28	119.7°	119.4°
C22	C29	C4	121.4°	121.3°
C26	C25	H25	118.9°	119.5°
C25	C26	C27	119.6°	121.0°
C25	C26	H26	120.2°	119.5°
C27	C26	H26	120.2°	119.5°
C26	C27	C28	119.7°	119.7°
C26	C27	H27	119.8°	120.2°
C28	C27	H27	120.5°	120.2°
C27	C28	C29	120.8°	119.3°
C27	C28	C2	117.6°	121.3°
C29	C28	C2	121.6°	119.4°
C28	C29	C4	118.5°	119.3°
C28	C2	C6	119.1°	119.7°
C28	C2	H2	120.8°	120.2°
C29	C4	C7	119.9°	119.7°
C29	C4	H4	120.4°	120.2°
C6	C2	H2	120.1°	120.2°
C2	C6	C7	120.5°	121.0°
C2	C6	H6	119.6°	119.5°
C7	C4	H4	119.7°	120.2°
C4	C7	C6	120.3°	121.0°
C4	C7	H7	120.1°	119.5°
C7	C6	H6	119.9°	119.5°
C6	C7	H7	119.6°	119.5°
H91	C9	H92	110.0°	109.4°
H91	C9	H93	100.2°	109.4°
H92	C9	H93	110.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C1	C5	H1	180.0°	179.5°
C1	N2	C3	C13	178.8°	179.6°
C1	N2	C3	N4	7.9°	0.3°
C1	N2	C3	H3	172.1°	179.8°
N2	C1	C5	N4	0.1°	0.5°
N2	C1	C5	C8	178.9°	179.8°
C1	N2	C13	C14	85.8°	119.7°
C1	N2	C13	C18	45.2°	120.4°
C1	N2	C13	H13	160.7°	0.4°
C5	C1	N2	C3	4.6°	0.5°
C5	C1	N2	C13	174.1°	179.9°
C1	C5	N4	C3	4.6°	0.3°
C1	C5	N4	C8	179.0°	179.7°
C1	C5	C8	O9	28.0°	0.4°
C1	C5	C8	N10	157.3°	179.7°
H1	C1	N2	C3	175.4°	180.0°
H1	C1	N2	C13	5.9°	0.4°
H1	C1	C5	N4	179.9°	180.0°
H1	C1	C5	C8	1.1°	0.3°
N2	C3	N4	H3	180.0°	179.9°
N2	C3	N4	C5	7.8°	0.0°
C3	N2	C13	C14	92.7°	59.9°
C3	N2	C13	C18	136.3°	60.1°
C3	N2	C13	H13	20.8°	179.9°
C13	N2	C3	N4	170.9°	179.9°
C13	N2	C3	H3	9.1°	0.1°
N2	C13	C14	C18	129.1°	120.0°
N2	C13	C14	H13	116.2°	120.0°
N2	C13	C18	H13	116.6°	120.0°
N2	C13	C14	O15	54.0°	179.2°
N2	C13	C14	C9	77.9°	60.8°
N2	C13	C14	H14	165.4°	59.2°
N2	C13	C18	C19	69.0°	65.4°
N2	C13	C18	H181	56.3°	174.6°
N2	C13	C18	H182	165.7°	54.6°
C3	N4	C5	C8	174.4°	180.0°
H3	C3	N4	C5	172.2°	179.9°
N4	C5	C8	O9	153.2°	179.9°
N4	C5	C8	N10	21.6°	0.1°
C5	C8	O9	N10	174.7°	179.9°
C5	C8	N10	H101	180.0°	0.1°
C5	C8	N10	H102	4.9°	180.0°
O9	C8	N10	H101	4.9°	180.0°
O9	C8	N10	H102	180.0°	0.1°
C8	N10	H101	H102	174.8°	179.9°
C14	C13	C18	H13	113.2°	120.0°
C13	C14	O15	C9	135.1°	120.0°
C13	C14	O15	H14	106.0°	120.0°
C13	C14	C9	H14	107.5°	120.0°
C13	C14	O15	HO	180.0°	60.0°
C14	C13	C18	C19	160.9°	174.6°
C14	C13	C18	H181	73.9°	54.6°
C14	C13	C18	H182	35.6°	65.4°
C13	C14	C9	H91	54.7°	60.0°
C13	C14	C9	H92	180.0°	60.0°
C13	C14	C9	H93	54.8°	180.0°
C18	C13	C14	O15	176.9°	59.2°
C18	C13	C14	C9	51.1°	179.2°
C18	C13	C14	H14	65.5°	60.8°
C13	C18	C19	H181	125.3°	120.0°
C13	C18	C19	H182	125.3°	120.0°
C13	C18	H181	H182	115.5°	120.0°
C13	C18	C19	C22	179.1°	174.8°
C13	C18	C19	H191	55.7°	65.1°
C13	C18	C19	H192	53.8°	54.8°
H13	C13	C14	O15	62.2°	60.8°
H13	C13	C14	C9	165.9°	59.2°
H13	C13	C14	H14	49.2°	179.2°
H13	C13	C18	C19	47.6°	54.6°
H13	C13	C18	H181	172.9°	65.4°
H13	C13	C18	H182	77.6°	174.6°
O15	C14	C9	H14	115.2°	120.0°
O15	C14	C9	H91	167.9°	60.0°
O15	C14	C9	H92	42.7°	180.0°
O15	C14	C9	H93	82.6°	60.0°
C9	C14	O15	HO	44.9°	60.0°
C14	C9	H91	H92	128.3°	120.0°
C14	C9	H91	H93	115.8°	120.0°
C14	C9	H92	H93	125.2°	120.0°
H14	C14	O15	HO	74.0°	179.9°
H14	C14	C9	H91	52.8°	180.0°
H14	C14	C9	H92	72.5°	60.0°
H14	C14	C9	H93	162.3°	60.1°
C19	C18	H181	H182	115.5°	120.0°
C18	C19	C22	H191	125.2°	120.1°
C18	C19	C22	H192	125.3°	120.0°
C18	C19	H191	H192	118.1°	120.0°
C18	C19	C22	C25	92.8°	95.0°
C18	C19	C22	C29	74.3°	84.7°
H181	C18	C19	C22	53.8°	54.8°
H181	C18	C19	H191	179.1°	174.9°
H181	C18	C19	H192	71.5°	65.1°
H182	C18	C19	C22	55.7°	65.2°
H182	C18	C19	H191	69.6°	54.9°
H182	C18	C19	H192	179.0°	174.9°
C22	C19	H191	H192	118.1°	120.0°
C19	C22	C25	C29	167.3°	179.7°
C19	C22	C25	C26	171.9°	180.0°
C19	C22	C25	H25	8.0°	0.0°
C19	C22	C29	C28	170.6°	179.8°
C19	C22	C29	C4	17.5°	0.6°
H191	C19	C22	C25	32.5°	144.9°
H191	C19	C22	C29	160.5°	35.3°
H192	C19	C22	C25	141.9°	25.0°
H192	C19	C22	C29	51.0°	155.3°
C22	C25	C26	H25	180.0°	180.0°
C22	C25	C26	C27	5.3°	0.0°
C22	C25	C26	H26	174.7°	180.0°
C25	C22	C29	C28	3.4°	0.5°
C25	C22	C29	C4	175.3°	179.7°
C29	C22	C25	C26	4.6°	0.3°
C29	C22	C25	H25	175.4°	179.7°
C22	C29	C28	C27	3.0°	0.5°
C22	C29	C28	C4	172.2°	179.2°
C22	C29	C28	C2	175.2°	179.7°
C22	C29	C4	C7	174.1°	179.7°
C22	C29	C4	H4	5.9°	0.5°
C25	C26	C27	H26	180.0°	180.0°
C25	C26	C27	C28	4.7°	0.0°
C25	C26	C27	H27	175.3°	180.0°
H25	C25	C26	C27	174.6°	180.0°
H25	C25	C26	H26	5.4°	0.0°
C26	C27	C28	H27	180.0°	180.0°
C26	C27	C28	C29	3.6°	0.2°
C26	C27	C28	C2	174.6°	180.0°
H26	C26	C27	C28	175.2°	180.0°
H26	C26	C27	H27	4.7°	0.0°
C27	C28	C29	C2	178.1°	179.8°
C27	C28	C29	C4	175.1°	179.7°
C27	C28	C2	C6	177.4°	179.9°
C27	C28	C2	H2	2.6°	0.0°
H27	C27	C28	C29	176.4°	179.8°
H27	C27	C28	C2	5.4°	0.0°
C29	C28	C2	C6	0.7°	0.2°
C29	C28	C2	H2	179.3°	179.8°
C28	C29	C4	C7	2.1°	0.5°
C28	C29	C4	H4	177.9°	179.7°
C2	C28	C29	C4	3.0°	0.5°
C28	C2	C6	H2	180.0°	180.0°
C28	C2	C6	C7	2.5°	0.0°
C28	C2	C6	H6	177.5°	180.0°
C29	C4	C7	H4	180.0°	179.8°
C29	C4	C7	C6	1.0°	0.3°
C29	C4	C7	H7	178.9°	179.8°
C2	C6	C7	C4	3.4°	0.0°
C2	C6	C7	H6	180.0°	180.0°
C2	C6	C7	H7	176.6°	180.0°
H2	C2	C6	C7	177.5°	180.0°
H2	C2	C6	H6	2.5°	0.1°
C4	C7	C6	H7	180.0°	180.0°
C4	C7	C6	H6	176.6°	180.0°
H4	C4	C7	C6	178.9°	179.9°
H4	C4	C7	H7	1.1°	0.1°
H6	C6	C7	H7	3.4°	0.0°
H91	C9	H92	H93	109.5°	120.0°

Definition date:	2003-12-16
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	1V78,2E1W