KNE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL18	C17	sing	1.74Å	1.75Å
C17	C14	doub	1.38Å	1.40Å	Aromatic
C17	C16	sing	1.38Å	1.41Å	Aromatic
N10	C5	sing	1.47Å	1.48Å
C14	C9	sing	1.38Å	1.39Å	Aromatic
C16	C13	doub	1.38Å	1.39Å	Aromatic
C9	C8	doub	1.39Å	1.39Å	Aromatic
C9	C4	sing	1.52Å	1.51Å
C5	C1	sing	1.53Å	1.54Å
C13	C8	sing	1.39Å	1.40Å	Aromatic
C8	O3	sing	1.36Å	1.38Å
C4	C1	sing	1.55Å	1.55Å
O3	C1	sing	1.44Å	1.46Å
C1	C2	sing	1.51Å	1.54Å
C2	C7	doub	1.38Å	1.40Å	Aromatic
C2	C6	sing	1.38Å	1.40Å	Aromatic
C7	C12	sing	1.38Å	1.39Å	Aromatic
C6	C11	doub	1.38Å	1.39Å	Aromatic
C12	C15	doub	1.38Å	1.38Å	Aromatic
C11	C15	sing	1.38Å	1.39Å	Aromatic
C11	H1	sing	1.08Å	1.08Å
C12	H2	sing	1.08Å	1.08Å
C13	H3	sing	1.08Å	1.08Å
C14	H4	sing	1.08Å	1.08Å
C15	H5	sing	1.08Å	1.08Å
C16	H6	sing	1.08Å	1.08Å
C4	H7	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C6	H11	sing	1.08Å	1.08Å
C7	H12	sing	1.08Å	1.08Å
N10	H13	sing	1.01Å	1.00Å
N10	H14	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL18	C17	C14	117.8°	120.1°
CL18	C17	C16	120.0°	120.1°
C14	C17	C16	122.1°	119.8°
C17	C14	C9	116.8°	119.9°
C17	C14	H4	121.6°	120.0°
C17	C16	C13	120.1°	120.3°
C17	C16	H6	120.0°	119.8°
N10	C5	C1	112.9°	109.5°
N10	C5	H9	108.6°	109.4°
N10	C5	H10	108.6°	109.5°
C5	N10	H13	109.5°	111.0°
C5	N10	H14	109.5°	111.0°
C14	C9	C8	121.4°	120.8°
C14	C9	C4	129.9°	132.1°
C9	C14	H4	121.6°	120.1°
C16	C13	C8	117.9°	120.3°
C16	C13	H3	121.1°	119.9°
C13	C16	H6	120.0°	119.9°
C8	C9	C4	108.6°	107.1°
C9	C8	C13	121.7°	118.9°
C9	C8	O3	115.8°	111.2°
C9	C4	C1	100.2°	101.9°
C9	C4	H7	111.8°	111.0°
C9	C4	H8	111.7°	111.0°
C5	C1	C4	107.2°	110.9°
C5	C1	O3	107.4°	110.8°
C5	C1	C2	108.6°	110.7°
C1	C5	H9	108.6°	109.5°
C1	C5	H10	108.6°	109.5°
C13	C8	O3	122.6°	129.9°
C8	C13	H3	121.1°	119.9°
C8	O3	C1	104.3°	109.2°
C4	C1	O3	110.8°	102.8°
C4	C1	C2	114.0°	110.7°
C1	C4	H7	111.7°	110.9°
C1	C4	H8	111.7°	110.9°
O3	C1	C2	108.6°	110.7°
C1	C2	C7	122.1°	120.0°
C1	C2	C6	119.8°	120.0°
C7	C2	C6	117.9°	120.0°
C2	C7	C12	120.9°	120.0°
C2	C7	H12	119.5°	120.0°
C2	C6	C11	121.0°	120.0°
C2	C6	H11	119.5°	120.0°
C7	C12	C15	120.5°	120.0°
C7	C12	H2	119.7°	120.0°
C12	C7	H12	119.6°	120.0°
C6	C11	C15	120.4°	120.0°
C6	C11	H1	119.8°	120.0°
C11	C6	H11	119.5°	120.0°
C12	C15	C11	119.2°	120.0°
C15	C12	H2	119.7°	120.0°
C12	C15	H5	120.4°	120.0°
C15	C11	H1	119.8°	120.0°
C11	C15	H5	120.4°	120.0°
H7	C4	H8	109.5°	110.9°
H9	C5	H10	109.5°	109.5°
H13	N10	H14	109.5°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL18	C17	C14	C16	177.3°	179.9°
CL18	C17	C14	C9	179.4°	180.0°
CL18	C17	C16	C13	179.9°	179.8°
CL18	C17	C14	H4	0.6°	0.0°
CL18	C17	C16	H6	0.1°	0.3°
C17	C14	C9	H4	180.0°	180.0°
C14	C17	C16	C13	2.7°	0.2°
C17	C14	C9	C8	2.2°	0.4°
C17	C14	C9	C4	178.8°	179.1°
C14	C17	C16	H6	177.4°	179.8°
C16	C17	C14	C9	3.3°	0.0°
C17	C16	C13	H6	180.0°	180.0°
C17	C16	C13	C8	0.7°	0.1°
C17	C16	C13	H3	179.3°	180.0°
C16	C17	C14	H4	176.7°	180.0°
N10	C5	C1	H9	120.5°	120.0°
N10	C5	C1	H10	120.5°	120.0°
N10	C5	C1	C4	128.5°	177.4°
N10	C5	C1	O3	9.4°	63.9°
N10	C5	C1	C2	107.8°	59.3°
N10	C5	H9	H10	118.4°	120.0°
C5	N10	H13	H14	120.0°	124.0°
C14	C9	C8	C4	177.2°	179.6°
C14	C9	C8	C13	0.4°	0.5°
C14	C9	C8	O3	178.5°	179.2°
C14	C9	C4	C1	174.8°	164.2°
C14	C9	C4	H7	66.7°	77.7°
C14	C9	C4	H8	56.4°	46.1°
C16	C13	C8	C9	0.4°	0.3°
C16	C13	C8	H3	180.0°	179.9°
C16	C13	C8	O3	179.2°	179.4°
C9	C8	C13	O3	178.8°	179.6°
C8	C9	C4	C1	2.1°	15.3°
C9	C8	O3	C1	4.2°	19.2°
C9	C8	C13	H3	179.6°	179.7°
C8	C9	C14	H4	177.8°	179.6°
C8	C9	C4	H7	116.4°	102.8°
C8	C9	C4	H8	120.6°	133.4°
C9	C4	C1	C5	121.6°	93.2°
C4	C9	C8	C13	177.7°	179.1°
C4	C9	C8	O3	1.3°	1.2°
C9	C4	C1	H7	118.5°	118.2°
C9	C4	C1	H8	118.4°	118.2°
C9	C4	C1	O3	4.7°	25.3°
C9	C4	C1	C2	118.2°	143.6°
C4	C9	C14	H4	1.2°	0.9°
C9	C4	H7	H8	124.3°	123.8°
C5	C1	O3	C8	122.3°	90.7°
C5	C1	C4	O3	116.9°	118.4°
C5	C1	C4	C2	120.2°	123.3°
C5	C1	O3	C2	117.2°	123.2°
C5	C1	C2	C7	25.9°	91.7°
C5	C1	C2	C6	148.6°	88.5°
C5	C1	C4	H7	3.1°	148.7°
C5	C1	C4	H8	120.0°	25.0°
C1	C5	H9	H10	118.4°	120.0°
C1	C5	N10	H13	180.0°	180.0°
C1	C5	N10	H14	60.0°	56.1°
C13	C8	O3	C1	174.7°	161.2°
C8	C13	C16	H6	179.3°	179.9°
C8	O3	C1	C4	5.5°	27.8°
C8	O3	C1	C2	120.5°	146.1°
O3	C8	C13	H3	0.8°	0.7°
C4	C1	O3	C2	126.0°	118.3°
C4	C1	C2	C7	93.5°	144.8°
C4	C1	C2	C6	91.9°	35.0°
C1	C4	H7	H8	124.3°	123.7°
C4	C1	C5	H9	111.0°	57.4°
C4	C1	C5	H10	8.0°	62.6°
O3	C1	C2	C7	142.4°	31.5°
O3	C1	C2	C6	32.1°	148.3°
O3	C1	C4	H7	113.9°	92.9°
O3	C1	C4	H8	123.1°	143.5°
O3	C1	C5	H9	129.9°	56.1°
O3	C1	C5	H10	111.1°	176.1°
C1	C2	C7	C6	174.7°	179.8°
C1	C2	C7	C12	176.2°	180.0°
C1	C2	C6	C11	178.5°	180.0°
C2	C1	C4	H7	123.3°	25.4°
C2	C1	C4	H8	0.3°	98.2°
C2	C1	C5	H9	12.7°	179.3°
C2	C1	C5	H10	131.6°	60.7°
C1	C2	C6	H11	1.5°	0.1°
C1	C2	C7	H12	3.8°	0.1°
C2	C7	C12	H12	180.0°	180.0°
C7	C2	C6	C11	3.8°	0.2°
C2	C7	C12	C15	1.2°	0.0°
C2	C7	C12	H2	178.8°	179.8°
C7	C2	C6	H11	176.2°	179.8°
C6	C2	C7	C12	1.5°	0.2°
C2	C6	C11	H11	180.0°	179.9°
C2	C6	C11	C15	3.3°	0.1°
C2	C6	C11	H1	176.6°	179.8°
C6	C2	C7	H12	178.5°	179.7°
C7	C12	C15	H2	180.0°	179.7°
C7	C12	C15	C11	1.7°	0.3°
C7	C12	C15	H5	178.4°	179.8°
C6	C11	C15	C12	0.6°	0.3°
C6	C11	C15	H1	180.0°	179.7°
C6	C11	C15	H5	179.4°	179.8°
C12	C15	C11	H5	180.0°	179.9°
C12	C15	C11	H1	179.4°	180.0°
C15	C12	C7	H12	178.8°	180.0°
C11	C15	C12	H2	178.3°	180.0°
C15	C11	C6	H11	176.7°	180.0°
H1	C11	C15	H5	0.6°	0.0°
H1	C11	C6	H11	3.4°	0.3°
H2	C12	C15	H5	1.7°	0.0°
H2	C12	C7	H12	1.2°	0.3°
H3	C13	C16	H6	0.7°	0.0°
H9	C5	N10	H13	59.5°	60.0°
H9	C5	N10	H14	60.6°	176.1°
H10	C5	N10	H13	59.5°	60.0°
H10	C5	N10	H14	179.5°	63.9°

Release date:	2022-08-17
Definition date:	2022-05-31
Last modified:	2022-08-22
Release status:	REL
Processing site:	PDBE
Derived from:	8A0V