Obsolete: LIG

LIG was replaced with 89E on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	N3	sing	1.40Å	1.38Å	Aromatic
N1	C6	sing	1.36Å	1.34Å	Aromatic
N1	HN1	sing	0.97Å	1.02Å
N3	C4	doub	1.32Å	1.24Å	Aromatic
C4	C5	sing	1.40Å	1.27Å	Aromatic
C4	C21	sing	1.49Å	1.47Å	Aromatic
C5	C6	doub	1.36Å	1.33Å	Aromatic
C5	C17	sing	1.51Å	1.54Å
C6	C7	sing	1.48Å	1.51Å	Aromatic
C7	C8	doub	1.40Å	1.39Å	Aromatic
C7	C15	sing	1.40Å	1.39Å	Aromatic
C8	C10	sing	1.38Å	1.40Å	Aromatic
C8	HC8	sing	1.08Å	1.10Å
C10	N12	doub	1.32Å	1.36Å	Aromatic
C10	HC10	sing	1.08Å	1.10Å
N12	C13	sing	1.32Å	1.35Å	Aromatic
C13	C15	doub	1.38Å	1.40Å	Aromatic
C13	HC13	sing	1.08Å	1.10Å
C15	HC15	sing	1.08Å	1.10Å
C17	C20	sing	1.51Å	1.61Å
C17	H171	sing	1.09Å	1.12Å
C17	H172	sing	1.09Å	1.11Å
C20	C21	doub	1.39Å	1.38Å	Aromatic
C20	C28	sing	1.38Å	1.39Å	Aromatic
C21	C22	sing	1.40Å	1.39Å	Aromatic
C22	C24	doub	1.38Å	1.41Å	Aromatic
C22	HC22	sing	1.08Å	1.10Å
C24	C26	sing	1.38Å	1.41Å	Aromatic
C24	HC24	sing	1.08Å	1.10Å
C26	C28	doub	1.38Å	1.41Å	Aromatic
C26	HC26	sing	1.08Å	1.10Å
C28	HC28	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N3	N1	C6	103.5°	107.9°
N3	N1	HN1	114.5°	126.0°
N1	N3	C4	108.3°	108.5°
C6	N1	HN1	114.5°	126.0°
N1	C6	C5	108.6°	107.5°
N1	C6	C7	125.6°	126.3°
N3	C4	C5	112.9°	108.0°
N3	C4	C21	134.1°	142.8°
C5	C4	C21	113.0°	109.2°
C4	C5	C6	106.7°	108.1°
C4	C5	C17	115.1°	107.3°
C4	C21	C20	104.7°	109.5°
C4	C21	C22	131.4°	131.1°
C6	C5	C17	138.2°	144.6°
C5	C6	C7	125.8°	126.2°
C5	C17	C20	94.9°	106.2°
C5	C17	H171	117.9°	110.1°
C5	C17	H172	117.9°	110.2°
C6	C7	C8	120.6°	121.0°
C6	C7	C15	120.3°	120.9°
C8	C7	C15	119.1°	118.1°
C7	C8	C10	119.4°	119.1°
C7	C8	HC8	120.2°	120.4°
C7	C15	C13	119.5°	119.0°
C7	C15	HC15	120.1°	120.5°
C10	C8	HC8	120.4°	120.5°
C8	C10	N12	120.7°	120.8°
C8	C10	HC10	121.2°	119.6°
N12	C10	HC10	118.1°	119.6°
C10	N12	C13	120.7°	122.1°
N12	C13	C15	120.6°	120.9°
N12	C13	HC13	118.0°	119.6°
C15	C13	HC13	121.3°	119.6°
C13	C15	HC15	120.4°	120.5°
C20	C17	H171	117.9°	110.1°
C20	C17	H172	117.9°	110.2°
C17	C20	C21	112.3°	107.7°
C17	C20	C28	127.4°	132.1°
H171	C17	H172	92.4°	110.1°
C21	C20	C28	120.3°	120.2°
C20	C21	C22	123.9°	119.4°
C20	C28	C26	117.6°	120.1°
C20	C28	HC28	120.6°	119.9°
C21	C22	C24	116.4°	120.0°
C21	C22	HC22	121.3°	120.0°
C24	C22	HC22	122.4°	120.1°
C22	C24	C26	120.7°	120.2°
C22	C24	HC24	119.4°	119.9°
C26	C24	HC24	120.0°	119.9°
C24	C26	C28	121.2°	120.1°
C24	C26	HC26	119.6°	119.9°
C28	C26	HC26	119.2°	120.0°
C26	C28	HC28	121.8°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N3	N1	C6	HN1	125.3°	180.0°
N1	N3	C4	C5	0.0°	0.0°
N1	N3	C4	C21	179.7°	179.9°
N3	N1	C6	C5	0.5°	0.0°
N3	N1	C6	C7	179.8°	180.0°
C6	N1	N3	C4	0.3°	0.0°
N1	C6	C5	C4	0.5°	0.0°
N1	C6	C5	C7	179.7°	180.0°
N1	C6	C5	C17	179.8°	179.9°
N1	C6	C7	C8	178.0°	60.0°
N1	C6	C7	C15	1.6°	120.2°
HN1	N1	N3	C4	125.6°	180.0°
HN1	N1	C6	C5	125.8°	180.0°
HN1	N1	C6	C7	54.6°	0.1°
N3	C4	C5	C21	179.7°	179.9°
N3	C4	C5	C6	0.3°	0.0°
N3	C4	C5	C17	179.9°	179.9°
N3	C4	C21	C20	179.9°	179.9°
N3	C4	C21	C22	0.3°	0.1°
C4	C5	C6	C17	179.7°	179.9°
C4	C5	C6	C7	179.8°	179.9°
C4	C5	C17	C20	0.2°	0.0°
C4	C5	C17	H171	125.1°	119.1°
C4	C5	C17	H172	125.4°	119.3°
C5	C4	C21	C20	0.4°	0.0°
C5	C4	C21	C22	180.0°	180.0°
C21	C4	C5	C6	179.5°	180.0°
C21	C4	C5	C17	0.3°	0.0°
C4	C21	C20	C17	0.3°	0.0°
C4	C21	C20	C22	179.7°	180.0°
C4	C21	C20	C28	179.9°	179.9°
C4	C21	C22	C24	180.0°	180.0°
C4	C21	C22	HC22	0.0°	0.0°
C5	C6	C7	C8	2.3°	120.0°
C5	C6	C7	C15	178.0°	59.8°
C6	C5	C17	C20	179.6°	179.9°
C6	C5	C17	H171	55.2°	60.9°
C6	C5	C17	H172	54.3°	60.6°
C17	C5	C6	C7	0.1°	0.1°
C5	C17	C20	H171	125.2°	119.1°
C5	C17	C20	H172	125.3°	119.3°
C5	C17	H171	H172	123.5°	121.6°
C5	C17	C20	C21	0.1°	0.0°
C5	C17	C20	C28	179.9°	179.9°
C6	C7	C8	C15	179.6°	179.8°
C6	C7	C8	C10	179.7°	179.9°
C6	C7	C8	HC8	0.3°	0.0°
C6	C7	C15	C13	179.7°	179.7°
C6	C7	C15	HC15	0.3°	0.3°
C7	C8	C10	HC8	180.0°	180.0°
C7	C8	C10	N12	0.2°	0.0°
C7	C8	C10	HC10	179.9°	179.9°
C8	C7	C15	C13	0.1°	0.5°
C8	C7	C15	HC15	179.9°	179.9°
C15	C7	C8	C10	0.1°	0.3°
C15	C7	C8	HC8	179.9°	179.8°
C7	C15	C13	N12	0.1°	0.6°
C7	C15	C13	HC15	179.9°	179.4°
C7	C15	C13	HC13	179.9°	179.8°
C8	C10	N12	HC10	180.0°	179.9°
C8	C10	N12	C13	0.4°	0.0°
HC8	C8	C10	N12	179.8°	179.9°
HC8	C8	C10	HC10	0.1°	0.1°
C10	N12	C13	C15	0.4°	0.3°
C10	N12	C13	HC13	179.7°	180.0°
HC10	C10	N12	C13	179.7°	179.9°
N12	C13	C15	HC13	179.9°	179.7°
N12	C13	C15	HC15	179.8°	180.0°
HC13	C13	C15	HC15	0.1°	0.4°
C20	C17	H171	H172	123.5°	121.7°
C17	C20	C21	C28	179.8°	179.9°
C17	C20	C21	C22	179.9°	180.0°
C17	C20	C28	C26	179.8°	180.0°
C17	C20	C28	HC28	0.2°	0.1°
H171	C17	C20	C21	125.3°	119.1°
H171	C17	C20	C28	54.9°	60.8°
H172	C17	C20	C21	125.2°	119.3°
H172	C17	C20	C28	54.6°	60.8°
C20	C21	C22	C24	0.4°	0.0°
C20	C21	C22	HC22	179.5°	179.9°
C21	C20	C28	C26	0.0°	0.1°
C21	C20	C28	HC28	180.0°	180.0°
C28	C20	C21	C22	0.3°	0.1°
C20	C28	C26	C24	0.1°	0.1°
C20	C28	C26	HC28	180.0°	179.9°
C20	C28	C26	HC26	180.0°	179.9°
C21	C22	C24	HC22	180.0°	179.9°
C21	C22	C24	C26	0.4°	0.1°
C21	C22	C24	HC24	179.6°	180.0°
C22	C24	C26	HC24	180.0°	179.9°
C22	C24	C26	C28	0.1°	0.0°
C22	C24	C26	HC26	179.8°	180.0°
HC22	C22	C24	C26	179.6°	180.0°
HC22	C22	C24	HC24	0.4°	0.1°
C24	C26	C28	HC26	180.0°	180.0°
C24	C26	C28	HC28	180.0°	179.9°
HC24	C24	C26	C28	179.9°	179.9°
HC24	C24	C26	HC26	0.2°	0.1°
HC26	C26	C28	HC28	0.0°	0.0°

Definition date:	2001-09-17
Last modified:	2021-10-22
Release status:	OBS
Processing site:	RCSB
Replaced by:	89E
Derived from:	1JVP