NCO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CO	N1	sing	1.81Å	1.97Å
CO	N2	sing	1.81Å	2.00Å
CO	N3	sing	1.81Å	1.99Å
CO	N4	sing	1.81Å	2.00Å
CO	N5	sing	1.81Å	2.00Å
CO	N6	sing	1.81Å	1.97Å
N1	HN11	sing	1.01Å	1.00Å
N1	HN12	sing	1.01Å	1.00Å
N1	HN13	sing	1.01Å	1.00Å
N2	HN21	sing	1.01Å	1.00Å
N2	HN22	sing	1.01Å	1.00Å
N2	HN23	sing	1.01Å	1.00Å
N3	HN31	sing	1.01Å	1.00Å
N3	HN32	sing	1.01Å	1.00Å
N3	HN33	sing	1.01Å	1.00Å
N4	HN41	sing	1.01Å	1.00Å
N4	HN42	sing	1.01Å	1.00Å
N4	HN43	sing	1.01Å	1.00Å
N5	HN51	sing	1.01Å	1.00Å
N5	HN52	sing	1.01Å	1.00Å
N5	HN53	sing	1.01Å	1.00Å
N6	HN61	sing	1.01Å	1.00Å
N6	HN62	sing	1.01Å	1.00Å
N6	HN63	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	CO	N2	178.6°	180.0°
N1	CO	N3	89.9°	90.0°
N1	CO	N4	90.0°	90.0°
N1	CO	N5	91.0°	90.0°
N1	CO	N6	91.1°	90.0°
CO	N1	HN11	109.5°	109.5°
CO	N1	HN12	109.5°	109.5°
CO	N1	HN13	109.5°	109.4°
N2	CO	N3	88.8°	90.0°
N2	CO	N4	89.3°	90.0°
N2	CO	N5	90.2°	90.0°
N2	CO	N6	89.7°	90.0°
CO	N2	HN21	109.5°	109.4°
CO	N2	HN22	109.5°	109.5°
CO	N2	HN23	109.5°	109.5°
N3	CO	N4	87.8°	90.0°
N3	CO	N5	177.3°	180.0°
N3	CO	N6	92.5°	90.0°
CO	N3	HN31	109.5°	109.4°
CO	N3	HN32	109.5°	109.5°
CO	N3	HN33	109.5°	109.5°
N4	CO	N5	89.7°	90.0°
N4	CO	N6	178.9°	NaN°
CO	N4	HN41	109.5°	109.5°
CO	N4	HN42	109.5°	109.5°
CO	N4	HN43	109.5°	109.4°
N5	CO	N6	90.0°	90.0°
CO	N5	HN51	109.5°	109.5°
CO	N5	HN52	109.5°	109.5°
CO	N5	HN53	109.5°	109.4°
CO	N6	HN61	109.5°	109.5°
CO	N6	HN62	109.5°	109.5°
CO	N6	HN63	109.5°	109.5°
HN11	N1	HN12	109.5°	109.5°
HN11	N1	HN13	109.4°	109.5°
HN12	N1	HN13	109.5°	109.5°
HN21	N2	HN22	109.5°	109.5°
HN21	N2	HN23	109.5°	109.5°
HN22	N2	HN23	109.5°	109.5°
HN31	N3	HN32	109.4°	109.5°
HN31	N3	HN33	109.5°	109.4°
HN32	N3	HN33	109.5°	109.5°
HN41	N4	HN42	109.5°	109.5°
HN41	N4	HN43	109.5°	109.4°
HN42	N4	HN43	109.5°	109.5°
HN51	N5	HN52	109.4°	109.5°
HN51	N5	HN53	109.5°	109.5°
HN52	N5	HN53	109.5°	109.5°
HN61	N6	HN62	109.4°	109.5°
HN61	N6	HN63	109.5°	109.5°
HN62	N6	HN63	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	CO	N2	N3	28.5°	90.0°
N1	CO	N2	N4	59.3°	90.0°
N1	CO	N2	N5	149.0°	90.0°
N1	CO	N2	N6	121.0°	90.0°
N1	CO	N3	N4	90.0°	90.0°
N1	CO	N3	N5	110.4°	90.0°
N1	CO	N3	N6	91.1°	90.0°
N1	CO	N4	N5	91.0°	90.0°
N1	CO	N4	N6	165.8°	90.0°
N1	CO	N5	N6	91.1°	90.0°
CO	N1	HN11	HN12	120.0°	120.1°
CO	N1	HN11	HN13	120.0°	119.9°
CO	N1	HN12	HN13	120.0°	120.0°
N1	CO	N2	HN21	180.0°	90.0°
N1	CO	N2	HN22	60.0°	90.0°
N1	CO	N2	HN23	60.0°	90.0°
N1	CO	N3	HN31	180.0°	165.0°
N1	CO	N3	HN32	60.0°	75.0°
N1	CO	N3	HN33	60.0°	45.0°
N1	CO	N4	HN41	180.0°	105.0°
N1	CO	N4	HN42	60.0°	135.0°
N1	CO	N4	HN43	60.0°	15.0°
N1	CO	N5	HN51	180.0°	165.0°
N1	CO	N5	HN52	60.0°	75.0°
N1	CO	N5	HN53	60.0°	45.0°
N1	CO	N6	HN61	180.0°	15.0°
N1	CO	N6	HN62	60.0°	105.0°
N1	CO	N6	HN63	60.0°	135.0°
N2	CO	N3	N4	89.3°	90.0°
N2	CO	N3	N5	69.0°	90.0°
N2	CO	N3	N6	89.6°	90.0°
N2	CO	N4	N5	90.2°	90.0°
N2	CO	N4	N6	15.4°	90.0°
N2	CO	N5	N6	89.7°	90.0°
N2	CO	N1	HN11	180.0°	90.0°
N2	CO	N1	HN12	60.0°	90.0°
N2	CO	N1	HN13	60.0°	90.0°
CO	N2	HN21	HN22	120.0°	120.0°
CO	N2	HN21	HN23	120.0°	120.0°
CO	N2	HN22	HN23	120.0°	120.1°
N2	CO	N3	HN31	0.6°	15.0°
N2	CO	N3	HN32	119.3°	105.0°
N2	CO	N3	HN33	120.6°	135.0°
N2	CO	N4	HN41	1.2°	75.0°
N2	CO	N4	HN42	121.2°	45.0°
N2	CO	N4	HN43	118.8°	165.0°
N2	CO	N5	HN51	0.7°	15.0°
N2	CO	N5	HN52	120.7°	105.0°
N2	CO	N5	HN53	119.3°	135.0°
N2	CO	N6	HN61	1.2°	165.0°
N2	CO	N6	HN62	118.8°	75.0°
N2	CO	N6	HN63	121.2°	45.0°
N3	CO	N4	N5	179.0°	180.0°
N3	CO	N4	N6	104.3°	90.0°
N3	CO	N5	N6	158.6°	90.0°
N3	CO	N1	HN11	151.5°	135.0°
N3	CO	N1	HN12	31.5°	105.0°
N3	CO	N1	HN13	88.5°	15.0°
N3	CO	N2	HN21	151.6°	135.0°
N3	CO	N2	HN22	88.5°	105.0°
N3	CO	N2	HN23	31.5°	15.0°
CO	N3	HN31	HN32	120.0°	120.0°
CO	N3	HN31	HN33	120.0°	120.0°
CO	N3	HN32	HN33	120.0°	120.0°
N3	CO	N4	HN41	90.1°	15.0°
N3	CO	N4	HN42	149.9°	135.0°
N3	CO	N4	HN43	29.9°	105.0°
N3	CO	N5	HN51	69.7°	90.0°
N3	CO	N5	HN52	170.4°	90.0°
N3	CO	N5	HN53	50.4°	90.0°
N3	CO	N6	HN61	90.0°	75.0°
N3	CO	N6	HN62	30.0°	165.0°
N3	CO	N6	HN63	150.0°	45.0°
N4	CO	N5	N6	178.9°	180.0°
N4	CO	N1	HN11	120.7°	45.0°
N4	CO	N1	HN12	119.3°	165.0°
N4	CO	N1	HN13	0.7°	75.0°
N4	CO	N2	HN21	120.7°	135.0°
N4	CO	N2	HN22	0.7°	15.0°
N4	CO	N2	HN23	119.3°	105.0°
N4	CO	N3	HN31	89.9°	105.0°
N4	CO	N3	HN32	30.0°	15.0°
N4	CO	N3	HN33	150.1°	135.1°
CO	N4	HN41	HN42	120.0°	120.1°
CO	N4	HN41	HN43	120.0°	120.0°
CO	N4	HN42	HN43	120.0°	120.0°
N4	CO	N5	HN51	90.0°	75.0°
N4	CO	N5	HN52	150.1°	165.0°
N4	CO	N5	HN53	30.1°	45.0°
N4	CO	N6	HN61	14.3°	90.0°
N4	CO	N6	HN62	134.2°	90.0°
N4	CO	N6	HN63	105.7°	90.0°
N5	CO	N1	HN11	31.0°	45.0°
N5	CO	N1	HN12	151.0°	75.0°
N5	CO	N1	HN13	88.9°	165.0°
N5	CO	N2	HN21	31.0°	45.0°
N5	CO	N2	HN22	89.0°	75.0°
N5	CO	N2	HN23	151.0°	165.0°
N5	CO	N3	HN31	69.6°	90.0°
N5	CO	N3	HN32	50.4°	90.0°
N5	CO	N3	HN33	170.4°	90.0°
N5	CO	N4	HN41	89.0°	165.0°
N5	CO	N4	HN42	31.0°	45.0°
N5	CO	N4	HN43	151.0°	75.0°
CO	N5	HN51	HN52	120.0°	120.0°
CO	N5	HN51	HN53	120.0°	120.0°
CO	N5	HN52	HN53	120.0°	120.0°
N5	CO	N6	HN61	89.0°	105.0°
N5	CO	N6	HN62	151.0°	15.0°
N5	CO	N6	HN63	31.0°	135.0°
N6	CO	N1	HN11	59.0°	135.0°
N6	CO	N1	HN12	61.0°	15.0°
N6	CO	N1	HN13	179.0°	105.0°
N6	CO	N2	HN21	59.0°	45.0°
N6	CO	N2	HN22	179.0°	165.0°
N6	CO	N2	HN23	61.0°	75.0°
N6	CO	N3	HN31	89.0°	75.0°
N6	CO	N3	HN32	151.1°	165.0°
N6	CO	N3	HN33	31.1°	44.9°
N6	CO	N4	HN41	14.3°	90.0°
N6	CO	N4	HN42	105.8°	90.0°
N6	CO	N4	HN43	134.3°	90.0°
N6	CO	N5	HN51	88.9°	105.0°
N6	CO	N5	HN52	31.0°	15.0°
N6	CO	N5	HN53	151.0°	135.0°
CO	N6	HN61	HN62	120.0°	120.0°
CO	N6	HN61	HN63	120.0°	120.0°
CO	N6	HN62	HN63	120.0°	120.0°
HN11	N1	HN12	HN13	120.0°	120.0°
HN21	N2	HN22	HN23	120.0°	120.0°
HN31	N3	HN32	HN33	120.0°	120.0°
HN41	N4	HN42	HN43	120.0°	120.0°
HN51	N5	HN52	HN53	120.0°	120.1°
HN61	N6	HN62	HN63	120.0°	120.0°

Definition date:	1999-07-08
Last modified:	2023-09-23
Release status:	REL
Processing site:	RCSB
Derived from:	1D8X