KDR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C10	doub	1.31Å	1.40Å
C10	C9	sing	1.51Å	1.41Å
C9	O2	sing	1.43Å	1.47Å
O2	C2	sing	1.43Å	1.48Å
C2	C1	sing	1.51Å	1.53Å
C2	C3	sing	1.53Å	1.55Å
C2	O6	sing	1.43Å	1.48Å
C1	O1A	doub	1.21Å	1.23Å
C3	C4	sing	1.53Å	1.54Å
O6	C6	sing	1.43Å	1.46Å
C6	C7	sing	1.53Å	1.55Å
C6	C5	sing	1.53Å	1.54Å
C7	O7	sing	1.43Å	1.44Å
C7	C8	sing	1.53Å	1.53Å
C8	O8	sing	1.43Å	1.43Å
C5	O5	sing	1.43Å	1.43Å
C5	C4	sing	1.53Å	1.52Å
C4	O4	sing	1.43Å	1.49Å
C11	H11	sing	1.08Å	1.08Å
C11	H11A	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C9	H9	sing	1.09Å	1.10Å
C9	H9A	sing	1.09Å	1.10Å
C1	H1	sing	1.08Å	1.08Å
C3	H31	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
O7	HO7	sing	0.97Å	0.95Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
O8	HO8	sing	0.97Å	0.95Å
C5	H5	sing	1.09Å	1.10Å
O5	HO5	sing	0.97Å	0.95Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C10	C9	121.9°	119.9°
C10	C11	H11	109.0°	120.0°
C10	C11	H11A	125.5°	120.0°
C11	C10	H10	119.1°	120.0°
C10	C9	O2	122.3°	109.4°
C9	C10	H10	119.0°	120.1°
C10	C9	H9	105.4°	109.4°
C10	C9	H9A	102.4°	109.5°
C9	O2	C2	120.7°	114.0°
O2	C9	H9	105.4°	109.5°
O2	C9	H9A	102.4°	109.5°
O2	C2	C1	106.6°	109.5°
O2	C2	C3	111.8°	109.4°
O2	C2	O6	115.0°	109.5°
C1	C2	C3	108.0°	109.5°
C1	C2	O6	104.9°	109.5°
C2	C1	O1A	121.4°	120.0°
C2	C1	H1	119.3°	120.0°
C3	C2	O6	109.9°	109.4°
C2	C3	C4	111.8°	109.2°
C2	C3	H31	108.7°	109.5°
C2	C3	H32	108.2°	109.5°
C2	O6	C6	117.4°	114.1°
O1A	C1	H1	119.3°	120.0°
C3	C4	C5	108.3°	109.0°
C3	C4	O4	112.7°	109.6°
C4	C3	H31	108.7°	109.5°
C4	C3	H32	108.2°	109.5°
C3	C4	H4	108.6°	109.5°
O6	C6	C7	110.7°	109.5°
O6	C6	C5	108.2°	109.5°
O6	C6	H6	112.2°	109.5°
C7	C6	C5	116.2°	109.4°
C6	C7	O7	110.7°	109.5°
C6	C7	C8	111.5°	109.5°
C7	C6	H6	103.4°	109.5°
C6	C7	H7	107.1°	109.5°
C6	C5	O5	112.8°	109.5°
C6	C5	C4	108.2°	109.1°
C5	C6	H6	106.2°	109.5°
C6	C5	H5	107.8°	109.6°
O7	C7	C8	109.1°	109.5°
O7	C7	H7	109.6°	109.5°
C7	O7	HO7	109.5°	114.0°
C7	C8	O8	108.9°	109.5°
C8	C7	H7	108.8°	109.5°
C7	C8	H81	109.6°	109.5°
C7	C8	H82	109.8°	109.5°
O8	C8	H81	109.7°	109.4°
O8	C8	H82	109.8°	109.5°
C8	O8	HO8	109.5°	114.0°
O5	C5	C4	108.6°	109.5°
O5	C5	H5	107.5°	109.5°
C5	O5	HO5	109.5°	114.0°
C5	C4	O4	110.8°	109.6°
C4	C5	H5	112.1°	109.6°
C5	C4	H4	110.5°	109.5°
O4	C4	H4	105.9°	109.6°
C4	O4	HO4	109.5°	114.0°
H11	C11	H11A	125.5°	120.0°
H9	C9	H9A	120.2°	109.5°
H31	C3	H32	111.3°	109.6°
H81	C8	H82	109.0°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C10	C9	H10	180.0°	179.9°
C11	C10	C9	O2	45.9°	135.0°
C10	C11	H11	H11A	180.0°	179.7°
C11	C10	C9	H9	74.1°	105.0°
C11	C10	C9	H9A	159.4°	15.0°
C10	C9	O2	H9	120.0°	119.9°
C10	C9	O2	H9A	113.5°	120.0°
C10	C9	O2	C2	120.6°	180.0°
C9	C10	C11	H11	0.0°	180.0°
C9	C10	C11	H11A	180.0°	0.3°
C10	C9	H9	H9A	114.7°	120.0°
C9	O2	C2	C1	121.8°	60.0°
C9	O2	C2	C3	120.3°	180.0°
C9	O2	C2	O6	5.9°	60.0°
O2	C9	C10	H10	134.1°	45.0°
O2	C9	H9	H9A	114.7°	120.0°
O2	C2	C1	C3	120.3°	120.0°
O2	C2	C1	O6	122.4°	120.0°
O2	C2	C3	O6	129.0°	120.0°
O2	C2	C1	O1A	133.0°	0.0°
O2	C2	C3	C4	80.6°	62.4°
O2	C2	O6	C6	77.1°	58.8°
C2	O2	C9	H9	119.4°	60.0°
C2	O2	C9	H9A	7.2°	60.0°
O2	C2	C1	H1	46.9°	180.0°
O2	C2	C3	H31	39.4°	57.6°
O2	C2	C3	H32	160.4°	177.7°
C1	C2	C3	O6	114.0°	120.0°
C2	C1	O1A	H1	180.0°	179.9°
C1	C2	C3	C4	162.4°	177.6°
C1	C2	O6	C6	166.0°	178.9°
C1	C2	C3	H31	77.6°	62.4°
C1	C2	C3	H32	43.4°	57.7°
C3	C2	C1	O1A	12.7°	120.0°
C2	C3	C4	H31	120.0°	120.0°
C2	C3	C4	H32	119.0°	119.9°
C3	C2	O6	C6	50.1°	61.1°
C2	C3	C4	C5	57.3°	56.9°
C2	C3	C4	O4	179.7°	176.8°
C3	C2	C1	H1	167.3°	60.0°
C2	C3	H31	H32	119.0°	120.1°
C2	C3	C4	H4	62.7°	62.9°
O6	C2	C1	O1A	104.5°	120.0°
O6	C2	C3	C4	48.4°	57.6°
C2	O6	C6	C7	174.5°	178.9°
C2	O6	C6	C5	57.2°	61.2°
O6	C2	C1	H1	75.5°	59.9°
O6	C2	C3	H31	168.4°	177.5°
O6	C2	C3	H32	70.6°	62.3°
C2	O6	C6	H6	59.5°	58.8°
C3	C4	C5	C6	63.6°	56.9°
C3	C4	C5	O5	59.1°	63.0°
C3	C4	C5	O4	124.1°	119.9°
C3	C4	C5	H4	118.8°	119.8°
C3	C4	O4	H4	118.6°	120.2°
C4	C3	H31	H32	119.0°	120.1°
C3	C4	C5	H5	177.7°	176.9°
C3	C4	O4	HO4	34.8°	59.9°
O6	C6	C7	C5	123.8°	120.0°
O6	C6	C7	H6	120.3°	120.0°
O6	C6	C5	H6	120.6°	120.0°
O6	C6	C7	O7	177.7°	180.0°
O6	C6	C7	C8	56.1°	60.0°
O6	C6	C5	O5	57.9°	62.2°
O6	C6	C5	C4	62.2°	57.6°
O6	C6	C7	H7	62.8°	60.0°
O6	C6	C5	H5	176.4°	177.6°
C7	C6	C5	H6	114.3°	120.0°
C6	C7	O7	C8	123.0°	120.0°
C6	C7	O7	H7	118.0°	120.0°
C6	C7	C8	H7	117.9°	120.0°
C6	C7	C8	O8	67.5°	175.0°
C7	C6	C5	O5	67.2°	57.8°
C7	C6	C5	C4	172.7°	177.6°
C6	C7	O7	HO7	166.4°	60.0°
C6	C7	C8	H81	52.5°	55.0°
C6	C7	C8	H82	172.3°	65.0°
C7	C6	C5	H5	51.3°	62.4°
C5	C6	C7	O7	58.4°	60.0°
C5	C6	C7	C8	179.9°	180.0°
C6	C5	O5	C4	119.9°	119.6°
C6	C5	O5	H5	118.7°	120.2°
C6	C5	C4	H5	118.7°	120.0°
C6	C5	C4	O4	172.3°	176.8°
C5	C6	C7	H7	61.0°	60.0°
C6	C5	O5	HO5	4.6°	180.0°
C6	C5	C4	H4	55.2°	62.9°
O7	C7	C8	H7	119.5°	120.0°
O7	C7	C8	O8	169.9°	65.0°
O7	C7	C6	H6	57.4°	60.0°
O7	C7	C8	H81	70.1°	175.0°
O7	C7	C8	H82	49.7°	55.1°
C7	C8	O8	H81	120.0°	120.0°
C7	C8	O8	H82	120.3°	120.1°
C8	C7	C6	H6	64.3°	60.0°
C8	C7	O7	HO7	70.6°	60.0°
C7	C8	H81	H82	120.2°	120.0°
C7	C8	O8	HO8	177.3°	180.0°
O8	C8	C7	H7	50.4°	55.0°
O8	C8	H81	H82	120.2°	120.0°
O5	C5	C4	H5	118.5°	120.1°
O5	C5	C4	O4	64.9°	57.0°
O5	C5	C6	H6	178.5°	177.7°
O5	C5	C4	H4	177.9°	177.2°
C5	C4	O4	H4	119.9°	120.2°
C5	C4	C3	H31	177.3°	176.9°
C5	C4	C3	H32	61.7°	63.0°
C4	C5	C6	H6	58.4°	62.5°
C4	C5	O5	HO5	115.4°	60.4°
C5	C4	O4	HO4	86.7°	179.5°
O4	C4	C3	H31	59.7°	63.2°
O4	C4	C3	H32	61.3°	57.0°
O4	C4	C5	H5	53.6°	63.2°
H11	C11	C10	H10	180.0°	0.0°
H11A	C11	C10	H10	0.0°	179.7°
H10	C10	C9	H9	105.9°	74.9°
H10	C10	C9	H9A	20.6°	165.0°
H31	C3	C4	H4	57.3°	57.1°
H32	C3	C4	H4	178.3°	177.3°
H6	C6	C7	H7	176.8°	180.0°
H6	C6	C5	H5	63.0°	57.5°
H7	C7	O7	HO7	48.4°	180.0°
H7	C7	C8	H81	170.4°	65.0°
H7	C7	C8	H82	69.8°	175.0°
H81	C8	O8	HO8	62.7°	60.0°
H82	C8	O8	HO8	57.0°	59.9°
H5	C5	O5	HO5	123.2°	59.8°
H5	C5	C4	H4	63.5°	57.1°
H4	C4	O4	HO4	153.4°	60.3°

Definition date:	2008-01-14
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	2R1Y