KXN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C94	O94	sing	1.36Å	1.35Å
O94	HO94	sing	0.97Å	0.95Å
C95	C94	doub	1.39Å	1.39Å	Aromatic
C94	C93	sing	1.39Å	1.48Å	Aromatic
C92	C93	doub	1.39Å	1.39Å	Aromatic
C93	O93	sing	1.36Å	1.36Å
O93	HO93	sing	0.97Å	0.95Å
C91	C92	sing	1.38Å	1.39Å	Aromatic
C92	H92	sing	1.08Å	1.08Å
C96	C95	sing	1.38Å	1.40Å	Aromatic
C95	H95	sing	1.08Å	1.08Å
C96	C91	doub	1.38Å	1.40Å	Aromatic
C96	H96	sing	1.08Å	1.08Å
C2	C91	sing	1.51Å	1.49Å
O1	C2	sing	1.43Å	1.44Å
C2	C3	sing	1.53Å	1.54Å
C2	H2	sing	1.09Å	1.10Å
C9	O1	sing	1.36Å	1.37Å
C4	C3	sing	1.53Å	1.53Å
C3	O3	sing	1.43Å	1.44Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C10	C4	sing	1.51Å	1.52Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
C5	C10	doub	1.39Å	1.50Å	Aromatic
C9	C10	sing	1.38Å	1.49Å	Aromatic
C8	C9	doub	1.39Å	1.39Å	Aromatic
C7	C8	sing	1.39Å	1.40Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C6	C5	sing	1.38Å	1.40Å	Aromatic
C5	O51	sing	1.36Å	1.37Å
O51	HO51	sing	0.97Å	0.95Å
C7	C6	doub	1.39Å	1.40Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
O71	C7	sing	1.36Å	1.36Å
O71	HO71	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C94	O94	HO94	109.5°	114.0°
O94	C94	C95	122.7°	120.0°
O94	C94	C93	118.2°	120.1°
C95	C94	C93	119.1°	119.8°
C94	C95	C96	118.7°	120.0°
C94	C95	H95	120.7°	120.0°
C94	C93	C92	119.2°	119.9°
C94	C93	O93	120.9°	120.1°
C92	C93	O93	119.9°	120.1°
C93	C92	C91	120.8°	120.0°
C93	C92	H92	119.6°	120.0°
C93	O93	HO93	109.5°	114.0°
C91	C92	H92	119.6°	120.0°
C92	C91	C96	119.4°	120.1°
C92	C91	C2	120.1°	119.9°
C96	C95	H95	120.6°	120.0°
C95	C96	C91	122.8°	120.2°
C95	C96	H96	118.6°	119.9°
C91	C96	H96	118.6°	119.9°
C96	C91	C2	120.5°	119.9°
C91	C2	O1	108.4°	109.7°
C91	C2	C3	116.4°	109.7°
C91	C2	H2	104.7°	109.7°
O1	C2	C3	107.1°	108.3°
O1	C2	H2	114.4°	109.7°
C2	O1	C9	117.5°	117.9°
C3	C2	H2	106.0°	109.7°
C2	C3	C4	112.1°	108.3°
C2	C3	O3	112.5°	109.7°
C2	C3	H3	105.1°	109.7°
O1	C9	C10	118.9°	121.8°
O1	C9	C8	121.4°	118.4°
C4	C3	O3	108.0°	109.7°
C4	C3	H3	109.8°	109.7°
C3	C4	C10	112.6°	109.7°
C3	C4	H4	108.4°	109.4°
C3	C4	H4A	107.7°	109.4°
O3	C3	H3	109.4°	109.7°
C3	O3	HO3	109.5°	114.0°
C10	C4	H4	108.4°	109.4°
C10	C4	H4A	107.7°	109.4°
C4	C10	C5	122.5°	118.7°
C4	C10	C9	119.9°	121.4°
H4	C4	H4A	112.0°	109.5°
C5	C10	C9	117.6°	119.9°
C10	C5	C6	118.2°	120.3°
C10	C5	O51	122.0°	119.8°
C10	C9	C8	119.7°	119.8°
C9	C8	C7	120.8°	120.3°
C9	C8	H8	119.6°	119.9°
C7	C8	H8	119.6°	119.8°
C8	C7	C6	122.1°	119.9°
C8	C7	O71	118.7°	120.1°
C6	C5	O51	119.8°	119.9°
C5	C6	C7	121.7°	119.8°
C5	C6	H6	119.1°	120.1°
C5	O51	HO51	109.5°	114.0°
C7	C6	H6	119.1°	120.1°
C6	C7	O71	119.3°	120.0°
C7	O71	HO71	109.5°	114.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O94	C94	C95	C93	178.7°	179.7°
O94	C94	C93	C92	179.6°	180.0°
O94	C94	C93	O93	1.3°	0.0°
O94	C94	C95	C96	179.5°	180.0°
O94	C94	C95	H95	0.6°	0.0°
HO94	O94	C94	C95	143.9°	90.3°
HO94	O94	C94	C93	37.3°	90.0°
C95	C94	C93	C92	0.8°	0.3°
C95	C94	C93	O93	179.9°	179.7°
C94	C95	C96	H95	180.0°	180.0°
C94	C95	C96	C91	0.2°	0.0°
C94	C95	C96	H96	179.8°	180.0°
C94	C93	C92	O93	179.1°	180.0°
C94	C93	O93	HO93	110.5°	90.0°
C94	C93	C92	C91	0.4°	0.0°
C94	C93	C92	H92	179.6°	179.9°
C93	C94	C95	C96	0.7°	0.3°
C93	C94	C95	H95	179.3°	179.7°
C92	C93	O93	HO93	70.5°	90.0°
C93	C92	C91	H92	180.0°	179.9°
C93	C92	C91	C96	0.1°	0.3°
C93	C92	C91	C2	179.2°	180.0°
O93	C93	C92	C91	179.5°	180.0°
O93	C93	C92	H92	0.5°	0.0°
C92	C91	C96	C95	0.2°	0.3°
C92	C91	C96	C2	179.1°	179.7°
C92	C91	C96	H96	179.8°	179.7°
C92	C91	C2	O1	75.8°	145.8°
C92	C91	C2	C3	45.0°	95.3°
C92	C91	C2	H2	161.7°	25.2°
H92	C92	C91	C96	179.9°	179.7°
H92	C92	C91	C2	0.8°	0.1°
C95	C96	C91	H96	180.0°	180.0°
C95	C96	C91	C2	179.4°	180.0°
H95	C95	C96	C91	179.8°	180.0°
H95	C95	C96	H96	0.2°	0.0°
C96	C91	C2	O1	103.3°	33.9°
C96	C91	C2	C3	135.9°	85.0°
C96	C91	C2	H2	19.2°	154.4°
H96	C96	C91	C2	0.7°	0.0°
C91	C2	O1	C3	126.4°	119.7°
C91	C2	O1	H2	116.4°	120.5°
C91	C2	C3	H2	115.9°	120.6°
C91	C2	O1	C9	174.5°	168.9°
C91	C2	C3	C4	176.6°	175.5°
C91	C2	C3	O3	54.6°	55.9°
C91	C2	C3	H3	64.3°	64.7°
O1	C2	C3	H2	122.6°	119.8°
O1	C2	C3	C4	62.0°	64.8°
O1	C2	C3	O3	176.1°	175.6°
O1	C2	C3	H3	57.2°	54.9°
C2	O1	C9	C10	28.4°	17.2°
C2	O1	C9	C8	150.5°	162.9°
C3	C2	O1	C9	59.1°	49.3°
C2	C3	C4	O3	124.5°	119.7°
C2	C3	C4	H3	116.4°	119.7°
C2	C3	O3	H3	116.3°	120.6°
C2	C3	O3	HO3	124.9°	180.0°
C2	C3	C4	C10	35.4°	48.2°
C2	C3	C4	H4	155.4°	168.2°
C2	C3	C4	H4A	83.2°	71.8°
H2	C2	O1	C9	58.1°	70.5°
H2	C2	C3	C4	60.6°	55.0°
H2	C2	C3	O3	61.3°	64.7°
H2	C2	C3	H3	179.8°	174.7°
O1	C9	C10	C4	0.9°	0.3°
O1	C9	C10	C5	179.2°	179.7°
O1	C9	C10	C8	178.9°	179.9°
O1	C9	C8	C7	179.0°	179.8°
O1	C9	C8	H8	1.0°	0.2°
C4	C3	O3	H3	119.4°	120.6°
C4	C3	O3	HO3	110.9°	61.2°
C3	C4	C10	H4	120.0°	120.0°
C3	C4	C10	H4A	118.7°	120.0°
C3	C4	H4	H4A	118.8°	119.9°
C3	C4	C10	C5	175.6°	162.4°
C3	C4	C10	C9	4.3°	17.7°
O3	C3	C4	C10	159.9°	167.9°
O3	C3	C4	H4	80.2°	72.1°
O3	C3	C4	H4A	41.2°	47.9°
H3	C3	O3	HO3	8.5°	59.4°
H3	C3	C4	C10	81.0°	71.5°
H3	C3	C4	H4	39.0°	48.5°
H3	C3	C4	H4A	160.4°	168.5°
C10	C4	H4	H4A	118.7°	119.9°
C4	C10	C5	C9	180.0°	179.9°
C4	C10	C9	C8	179.8°	179.7°
C4	C10	C5	C6	179.8°	179.8°
C4	C10	C5	O51	0.9°	0.2°
H4	C4	C10	C5	55.6°	42.4°
H4	C4	C10	C9	124.3°	137.7°
H4A	C4	C10	C5	65.7°	77.6°
H4A	C4	C10	C9	114.3°	102.3°
C5	C10	C9	C8	0.3°	0.2°
C10	C5	C6	O51	179.3°	180.0°
C10	C5	O51	HO51	145.2°	90.0°
C10	C5	C6	C7	0.1°	0.0°
C10	C5	C6	H6	179.9°	179.9°
C10	C9	C8	C7	0.1°	0.1°
C10	C9	C8	H8	179.9°	179.8°
C9	C10	C5	C6	0.3°	0.1°
C9	C10	C5	O51	179.0°	179.9°
C9	C8	C7	H8	180.0°	180.0°
C9	C8	C7	C6	0.1°	0.0°
C9	C8	C7	O71	179.0°	180.0°
C8	C7	C6	C5	0.1°	0.1°
C8	C7	C6	O71	179.1°	180.0°
C8	C7	C6	H6	179.9°	179.9°
C8	C7	O71	HO71	98.6°	89.9°
H8	C8	C7	C6	180.0°	180.0°
H8	C8	C7	O71	1.0°	0.0°
C6	C5	O51	HO51	35.5°	90.0°
C5	C6	C7	H6	180.0°	179.9°
C5	C6	C7	O71	179.0°	179.9°
O51	C5	C6	C7	179.2°	180.0°
O51	C5	C6	H6	0.8°	0.1°
C6	C7	O71	HO71	80.5°	90.1°
H6	C6	C7	O71	1.0°	0.1°

Definition date:	2008-07-25
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3DU9