NHC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C8	doub	1.21Å	1.25Å
C8	O4	sing	1.34Å	1.25Å
C8	C3	sing	1.51Å	1.51Å
C3	C7	sing	1.53Å	1.53Å
C3	C4	sing	1.55Å	1.53Å
C3	C2	sing	1.56Å	1.52Å
C4	C10	sing	1.53Å	1.53Å
C4	C9	sing	1.51Å	1.52Å
C4	C6	sing	1.56Å	1.52Å
C9	O3	doub	1.21Å	1.26Å
C9	O5	sing	1.34Å	1.25Å
C2	C1	sing	1.56Å	1.52Å
C2	O1	sing	1.47Å	1.42Å
C1	C5	sing	1.55Å	1.52Å
C5	C6	sing	1.56Å	1.52Å
C6	O1	sing	1.47Å	1.42Å
O4	HO4	sing	0.97Å	0.95Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C7	H7B	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H10A	sing	1.09Å	1.10Å
C10	H10B	sing	1.09Å	1.10Å
O5	HO5	sing	0.97Å	0.95Å
C2	H2	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C8	O4	123.0°	120.0°
O2	C8	C3	117.7°	120.0°
O4	C8	C3	119.3°	120.0°
C8	O4	HO4	109.5°	117.0°
C8	C3	C7	111.0°	110.7°
C8	C3	C4	110.7°	110.7°
C8	C3	C2	108.9°	110.7°
C7	C3	C4	112.3°	110.8°
C7	C3	C2	111.5°	110.8°
C3	C7	H7	109.5°	109.5°
C3	C7	H7A	109.5°	109.5°
C3	C7	H7B	109.5°	109.5°
C4	C3	C2	102.1°	102.9°
C3	C4	C10	112.5°	110.7°
C3	C4	C9	112.2°	110.8°
C3	C4	C6	101.3°	102.8°
C3	C2	C1	107.9°	105.3°
C3	C2	O1	102.6°	101.3°
C3	C2	H2	112.3°	115.4°
C10	C4	C9	110.4°	110.6°
C10	C4	C6	111.8°	110.7°
C4	C10	H10	109.5°	109.5°
C4	C10	H10A	109.4°	109.5°
C4	C10	H10B	109.5°	109.5°
C9	C4	C6	108.3°	110.9°
C4	C9	O3	117.4°	120.0°
C4	C9	O5	120.3°	120.0°
C4	C6	C5	108.6°	105.4°
C4	C6	O1	102.2°	101.2°
C4	C6	H6	112.2°	115.4°
O3	C9	O5	122.2°	120.0°
C9	O5	HO5	109.5°	117.0°
C1	C2	O1	101.0°	101.2°
C2	C1	C5	101.7°	102.8°
C1	C2	H2	113.6°	115.4°
C2	C1	H1	112.2°	110.8°
C2	C1	H1A	113.8°	110.8°
C2	O1	C6	98.4°	99.7°
O1	C2	H2	118.2°	116.2°
C1	C5	C6	102.1°	102.9°
C5	C1	H1	112.2°	110.7°
C5	C1	H1A	113.8°	110.7°
C1	C5	H5	112.0°	110.7°
C1	C5	H5A	113.6°	110.7°
C5	C6	O1	101.2°	100.9°
C6	C5	H5	112.0°	110.8°
C6	C5	H5A	113.6°	110.5°
C5	C6	H6	113.0°	115.4°
O1	C6	H6	118.5°	116.4°
H7	C7	H7A	109.4°	109.5°
H7	C7	H7B	109.4°	109.4°
H7A	C7	H7B	109.5°	109.5°
H10	C10	H10A	109.5°	109.5°
H10	C10	H10B	109.5°	109.4°
H10A	C10	H10B	109.5°	109.5°
H1	C1	H1A	103.7°	110.8°
H5	C5	H5A	103.9°	110.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C8	O4	C3	179.9°	179.7°
O2	C8	C3	C7	177.0°	126.4°
O2	C8	C3	C4	51.6°	110.4°
O2	C8	C3	C2	59.9°	3.1°
O2	C8	O4	HO4	0.0°	0.0°
O4	C8	C3	C7	3.2°	53.9°
O4	C8	C3	C4	128.5°	69.3°
O4	C8	C3	C2	120.0°	177.1°
C8	C3	C7	C4	124.5°	123.2°
C8	C3	C7	C2	121.6°	123.2°
C8	C3	C4	C2	115.8°	118.4°
C8	C3	C4	C10	122.5°	123.4°
C8	C3	C4	C9	2.7°	0.2°
C8	C3	C4	C6	118.0°	118.3°
C8	C3	C2	C1	168.1°	169.0°
C8	C3	C2	O1	85.8°	85.9°
C3	C8	O4	HO4	179.9°	179.8°
C8	C3	C7	H7	125.7°	52.2°
C8	C3	C7	H7A	114.3°	172.2°
C8	C3	C7	H7B	5.7°	67.8°
C8	C3	C2	H2	42.2°	40.5°
C7	C3	C4	C2	119.6°	118.4°
C7	C3	C4	C10	2.2°	0.2°
C7	C3	C4	C9	127.3°	123.0°
C7	C3	C4	C6	117.3°	118.5°
C7	C3	C2	C1	45.3°	45.8°
C7	C3	C2	O1	151.4°	150.9°
C3	C7	H7	H7A	120.0°	120.0°
C3	C7	H7	H7B	120.0°	120.0°
C3	C7	H7A	H7B	120.0°	120.0°
C7	C3	C2	H2	80.7°	82.7°
C3	C4	C10	C9	126.2°	123.2°
C3	C4	C10	C6	113.2°	113.4°
C3	C4	C9	C6	111.0°	113.5°
C3	C4	C9	O3	91.1°	113.0°
C3	C4	C9	O5	88.4°	66.9°
C4	C3	C2	C1	74.8°	72.6°
C4	C3	C2	O1	31.3°	32.5°
C3	C4	C6	C5	71.5°	72.5°
C3	C4	C6	O1	35.0°	32.2°
C4	C3	C7	H7	1.2°	71.0°
C4	C3	C7	H7A	121.2°	49.0°
C4	C3	C7	H7B	118.8°	169.0°
C3	C4	C10	H10	174.6°	67.3°
C3	C4	C10	H10A	65.5°	172.7°
C3	C4	C10	H10B	54.6°	52.7°
C4	C3	C2	H2	159.2°	158.9°
C3	C4	C6	H6	162.9°	158.9°
C2	C3	C4	C10	121.8°	118.2°
C2	C3	C4	C9	113.1°	118.6°
C2	C3	C4	C6	2.2°	0.1°
C3	C2	C1	O1	107.2°	105.1°
C3	C2	C1	H2	125.2°	128.5°
C3	C2	O1	H2	124.1°	125.9°
C3	C2	C1	C5	72.0°	72.7°
C3	C2	O1	C6	54.2°	54.0°
C2	C3	C7	H7	112.7°	175.4°
C2	C3	C7	H7A	7.3°	64.5°
C2	C3	C7	H7B	127.3°	55.5°
C3	C2	C1	H1	168.0°	169.0°
C3	C2	C1	H1A	50.7°	45.6°
C10	C4	C9	C6	122.7°	123.3°
C10	C4	C9	O3	142.6°	10.2°
C10	C4	C9	O5	37.9°	169.9°
C10	C4	C6	C5	48.5°	45.8°
C10	C4	C6	O1	155.0°	150.5°
C4	C10	H10	H10A	120.0°	120.0°
C4	C10	H10	H10B	120.0°	120.0°
C4	C10	H10A	H10B	120.0°	120.0°
C10	C4	C6	H6	77.1°	82.8°
C4	C9	O3	O5	179.5°	179.9°
C9	C4	C6	C5	170.4°	169.0°
C9	C4	C6	O1	83.2°	86.2°
C9	C4	C10	H10	48.4°	55.9°
C9	C4	C10	H10A	168.4°	64.1°
C9	C4	C10	H10B	71.6°	175.9°
C4	C9	O5	HO5	179.4°	180.0°
C9	C4	C6	H6	44.8°	40.4°
C6	C4	C9	O3	19.9°	133.5°
C6	C4	C9	O5	160.6°	46.6°
C4	C6	O1	C2	55.9°	54.0°
C4	C6	C5	C1	74.4°	72.4°
C4	C6	C5	O1	107.1°	105.0°
C4	C6	C5	H6	125.1°	128.6°
C4	C6	O1	H6	123.8°	125.9°
C6	C4	C10	H10	72.2°	179.3°
C6	C4	C10	H10A	47.7°	59.3°
C6	C4	C10	H10B	167.8°	60.7°
C4	C6	C5	H5	165.6°	169.2°
C4	C6	C5	H5A	48.2°	45.8°
O3	C9	O5	HO5	0.0°	0.0°
C1	C2	O1	H2	124.5°	125.8°
C2	C1	C5	H1	120.0°	118.4°
C2	C1	C5	H1A	122.7°	118.3°
C2	C1	C5	C6	1.4°	0.2°
C1	C2	O1	C6	57.2°	54.3°
C2	C1	H1	H1A	123.1°	123.3°
C2	C1	C5	H5	121.4°	118.3°
C2	C1	C5	H5A	121.2°	118.3°
O1	C2	C1	C5	35.2°	32.4°
C2	O1	C6	C5	56.2°	54.3°
O1	C2	C1	H1	84.8°	85.9°
O1	C2	C1	H1A	157.9°	150.7°
C2	O1	C6	H6	179.7°	179.9°
C1	C5	C6	H5	120.0°	118.4°
C1	C5	C6	H5A	122.7°	118.3°
C1	C5	C6	O1	32.7°	32.6°
C5	C1	C2	H2	162.8°	158.8°
C5	C1	H1	H1A	123.2°	123.3°
C1	C5	H5	H5A	123.0°	123.3°
C1	C5	C6	H6	160.4°	159.0°
C5	C6	O1	H6	124.1°	125.7°
C6	C5	C1	H1	118.6°	118.6°
C6	C5	C1	H1A	124.1°	118.1°
C6	C5	H5	H5A	123.0°	123.1°
C6	O1	C2	H2	178.3°	179.9°
O1	C6	C5	H5	87.3°	85.8°
O1	C6	C5	H5A	155.3°	150.9°
H7	C7	H7A	H7B	120.0°	120.0°
H10	C10	H10A	H10B	120.0°	120.0°
H2	C2	C1	H1	42.8°	40.5°
H2	C2	C1	H1A	74.5°	82.9°
H1	C1	C5	H5	1.4°	0.1°
H1	C1	C5	H5A	118.8°	123.3°
H1A	C1	C5	H5	115.9°	123.4°
H1A	C1	C5	H5A	1.5°	0.0°
H5	C5	C6	H6	40.4°	40.6°
H5A	C5	C6	H6	76.9°	82.7°

Definition date:	2009-05-07
Last modified:	2021-03-01
Release status:	REL
Processing site:	PDBJ
Derived from:	3H62