UKQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C2	sing	1.43Å	1.45Å
C2	C3	sing	1.50Å	1.54Å
C2	C1	sing	1.51Å	1.53Å
C3	O3	sing	1.43Å	1.46Å
C3	C4	sing	1.51Å	1.55Å
O1	C1	sing	1.42Å	1.42Å
O1	C7	sing	1.44Å	1.44Å
O4	C4	sing	1.43Å	1.42Å
C1	C7	sing	1.52Å	1.51Å
C4	C5	sing	1.51Å	1.53Å
C5	C7	sing	1.52Å	1.52Å
C5	C6	sing	1.53Å	1.52Å
C6	O6	sing	1.43Å	1.44Å
C7	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
O4	H7	sing	0.97Å	0.95Å
C3	H8	sing	1.09Å	1.10Å
O3	H9	sing	0.97Å	0.95Å
C2	H10	sing	1.09Å	1.10Å
O6	H11	sing	0.97Å	0.95Å
O2	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C2	C3	112.3°	108.8°
O2	C2	C1	108.8°	108.7°
O2	C2	H10	107.1°	108.7°
C2	O2	H12	109.5°	114.0°
C3	C2	C1	115.9°	112.9°
C2	C3	O3	112.9°	108.8°
C2	C3	C4	114.1°	113.0°
C2	C3	H8	107.2°	108.6°
C3	C2	H10	106.0°	108.9°
C2	C1	O1	112.0°	120.6°
C2	C1	C7	117.2°	120.0°
C2	C1	H2	117.7°	114.4°
C1	C2	H10	106.2°	108.8°
O3	C3	C4	106.8°	108.8°
O3	C3	H8	108.3°	108.8°
C3	O3	H9	109.5°	114.0°
C3	C4	O4	109.2°	108.7°
C3	C4	C5	113.8°	112.9°
C3	C4	H6	108.9°	108.8°
C4	C3	H8	107.2°	108.8°
C1	O1	C7	63.5°	64.3°
O1	C1	C7	58.8°	58.4°
O1	C1	H2	119.9°	116.1°
O1	C7	C1	57.7°	57.3°
O1	C7	C5	111.5°	116.1°
O1	C7	H1	120.8°	117.4°
O4	C4	C5	105.1°	108.8°
O4	C4	H6	110.7°	108.7°
C4	O4	H7	109.5°	114.0°
C1	C7	C5	114.0°	120.5°
C1	C7	H1	119.3°	117.4°
C7	C1	H2	118.1°	116.1°
C4	C5	C7	112.7°	112.3°
C4	C5	C6	113.1°	108.9°
C4	C5	H3	105.8°	108.9°
C5	C4	H6	109.1°	108.8°
C7	C5	C6	112.7°	108.9°
C5	C7	H1	118.9°	115.6°
C7	C5	H3	105.9°	109.0°
C5	C6	O6	115.8°	109.5°
C6	C5	H3	105.9°	108.9°
C5	C6	H4	107.9°	109.4°
C5	C6	H5	107.9°	109.4°
O6	C6	H4	107.9°	109.5°
O6	C6	H5	107.9°	109.5°
C6	O6	H11	109.5°	114.0°
H4	C6	H5	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C2	C3	C1	125.9°	120.7°
O2	C2	C3	H10	116.6°	118.3°
O2	C2	C1	H10	115.0°	118.2°
O2	C2	C3	O3	34.6°	47.0°
O2	C2	C3	C4	156.9°	73.9°
O2	C2	C1	O1	126.9°	170.1°
O2	C2	C1	C7	167.9°	101.3°
O2	C2	C1	H2	18.0°	43.8°
O2	C2	C3	H8	84.6°	165.3°
C3	C2	C1	H10	117.4°	120.9°
C2	C3	O3	C4	126.3°	123.5°
C2	C3	O3	H8	118.6°	118.1°
C2	C3	C4	H8	118.6°	120.7°
C3	C2	C1	O1	105.4°	49.3°
C2	C3	C4	O4	132.4°	176.4°
C3	C2	C1	C7	40.3°	19.5°
C2	C3	C4	C5	15.3°	62.8°
C3	C2	C1	H2	109.7°	164.6°
C2	C3	C4	H6	106.6°	58.1°
C2	C3	O3	H9	180.0°	56.5°
C3	C2	O2	H12	180.0°	60.0°
C1	C2	C3	O3	91.3°	167.8°
C1	C2	C3	C4	31.0°	46.8°
C2	C1	O1	C7	109.3°	108.6°
C2	C1	O1	H2	144.0°	145.6°
C2	C1	C7	H2	149.9°	144.5°
C2	C1	C7	C5	0.8°	6.4°
C2	C1	C7	H1	149.7°	143.9°
C1	C2	C3	H8	149.5°	74.0°
C1	C2	O2	H12	50.4°	176.7°
O3	C3	C4	H8	115.9°	118.4°
O3	C3	C4	O4	102.1°	55.5°
O3	C3	C4	C5	140.8°	176.3°
O3	C3	C4	H6	18.9°	62.8°
O3	C3	C2	H10	151.3°	71.3°
C3	C4	O4	C5	122.4°	123.3°
C3	C4	O4	H6	119.9°	118.3°
C3	C4	C5	H6	121.8°	120.9°
C3	C4	C5	C7	55.0°	46.5°
C3	C4	C5	C6	175.8°	167.2°
C3	C4	C5	H3	60.3°	74.2°
C3	C4	O4	H7	180.0°	56.7°
C4	C3	O3	H9	53.7°	179.9°
C4	C3	C2	H10	86.5°	167.8°
O1	C1	C7	H2	109.7°	105.9°
O1	C1	C7	C5	101.2°	103.2°
C1	O1	C7	H1	107.3°	106.5°
O1	C1	C2	H10	12.0°	71.7°
O1	C7	C5	C4	109.4°	85.3°
O1	C7	C5	H1	147.8°	143.3°
O1	C7	C5	C6	121.1°	154.0°
O1	C7	C5	H3	5.8°	35.4°
O4	C4	C5	H6	118.8°	118.4°
O4	C4	C5	C7	174.4°	167.3°
O4	C4	C5	C6	56.3°	72.0°
O4	C4	C5	H3	59.1°	46.5°
O4	C4	C3	H8	13.8°	62.9°
C1	C7	C5	C4	46.3°	19.4°
C1	C7	C5	H1	149.1°	150.8°
C1	C7	C5	C6	175.8°	140.1°
C1	C7	C5	H3	68.9°	101.3°
C7	C1	C2	H10	77.1°	140.5°
C4	C5	C7	C6	129.5°	120.7°
C4	C5	C7	H3	115.2°	120.7°
C4	C5	C6	H3	115.4°	118.6°
C4	C5	C6	O6	57.7°	62.2°
C4	C5	C7	H1	102.7°	131.4°
C4	C5	C6	H4	178.6°	57.7°
C4	C5	C6	H5	63.2°	177.8°
C5	C4	O4	H7	57.6°	180.0°
C5	C4	C3	H8	103.3°	58.0°
C7	C5	C6	H3	115.3°	118.7°
C7	C5	C6	O6	71.6°	175.0°
C5	C7	C1	H2	149.1°	150.9°
C7	C5	C6	H4	49.3°	65.0°
C7	C5	C6	H5	167.5°	55.0°
C7	C5	C4	H6	66.8°	74.3°
C5	C6	O6	H4	120.9°	119.9°
C5	C6	O6	H5	120.9°	119.9°
C6	C5	C7	H1	26.7°	10.7°
C5	C6	H4	H5	117.1°	120.0°
C6	C5	C4	H6	62.4°	46.4°
C5	C6	O6	H11	180.0°	180.0°
O6	C6	C5	H3	173.1°	56.3°
O6	C6	H4	H5	117.2°	120.1°
H1	C7	C1	H2	0.2°	0.6°
H1	C7	C5	H3	142.1°	107.9°
H2	C1	C2	H10	132.9°	74.4°
H3	C5	C6	H4	66.0°	176.3°
H3	C5	C6	H5	52.2°	63.7°
H3	C5	C4	H6	177.9°	164.9°
H4	C6	O6	H11	59.1°	60.1°
H5	C6	O6	H11	59.1°	60.0°
H6	C4	O4	H7	60.1°	61.6°
H6	C4	C3	H8	134.8°	178.9°
H8	C3	O3	H9	61.4°	61.7°
H8	C3	C2	H10	32.1°	46.9°
H10	C2	O2	H12	64.0°	58.4°

Release date:	2021-04-28
Definition date:	2021-02-28
Last modified:	2021-04-23
Release status:	REL
Processing site:	PDBE
Derived from:	7NL5