KMA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C25	N21	sing	1.49Å	1.48Å
C25	C24	sing	1.54Å	1.53Å
N21	C22	sing	1.49Å	1.48Å
C24	C23	sing	1.54Å	1.52Å
C22	C23	sing	1.54Å	1.52Å
C22	C18	sing	1.53Å	1.53Å
C18	C17	sing	1.53Å	1.52Å
C17	C15	sing	1.51Å	1.52Å
C15	C16	doub	1.38Å	1.40Å	Aromatic
C15	C14	sing	1.38Å	1.40Å	Aromatic
C16	C11	sing	1.38Å	1.39Å	Aromatic
C08	C06	sing	1.51Å	1.50Å
C08	C09	sing	1.53Å	1.52Å
C14	C13	doub	1.38Å	1.39Å	Aromatic
N02	C02	sing	1.39Å	1.35Å
N01	C06	doub	1.32Å	1.34Å	Aromatic
N01	C02	sing	1.32Å	1.34Å	Aromatic
C06	C05	sing	1.38Å	1.39Å	Aromatic
C02	C03	doub	1.39Å	1.39Å	Aromatic
C11	C09	sing	1.51Å	1.51Å
C11	C12	doub	1.38Å	1.39Å	Aromatic
C13	C12	sing	1.38Å	1.39Å	Aromatic
C13	F13	sing	1.35Å	1.34Å
C05	C04	doub	1.39Å	1.38Å	Aromatic
C03	C04	sing	1.38Å	1.39Å	Aromatic
C04	C07	sing	1.51Å	1.51Å
C12	H1	sing	1.08Å	1.08Å
C14	H2	sing	1.08Å	1.08Å
C17	H3	sing	1.09Å	1.10Å
C17	H4	sing	1.09Å	1.10Å
C18	H5	sing	1.09Å	1.10Å
C18	H6	sing	1.09Å	1.10Å
C22	H7	sing	1.09Å	1.10Å
C23	H8	sing	1.09Å	1.10Å
C23	H9	sing	1.09Å	1.10Å
C24	H10	sing	1.09Å	1.10Å
C24	H11	sing	1.09Å	1.10Å
C25	H12	sing	1.09Å	1.10Å
C25	H13	sing	1.09Å	1.10Å
N21	H14	sing	1.01Å	1.00Å
C16	H16	sing	1.08Å	1.08Å
C09	H17	sing	1.09Å	1.10Å
C09	H18	sing	1.09Å	1.10Å
C08	H19	sing	1.09Å	1.10Å
C08	H20	sing	1.09Å	1.10Å
C05	H21	sing	1.08Å	1.08Å
N02	H22	sing	0.97Å	1.00Å
N02	H23	sing	0.97Å	1.00Å
C03	H24	sing	1.08Å	1.08Å
C07	H25	sing	1.09Å	1.10Å
C07	H26	sing	1.09Å	1.10Å
C07	H27	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N21	C25	C24	107.2°	104.6°
C25	N21	C22	107.0°	104.3°
N21	C25	H12	110.0°	110.5°
N21	C25	H13	110.0°	110.4°
C25	N21	H14	110.1°	111.0°
C25	C24	C23	106.2°	105.1°
C25	C24	H10	110.3°	110.3°
C25	C24	H11	110.3°	110.5°
C24	C25	H12	110.0°	110.4°
C24	C25	H13	110.0°	110.4°
N21	C22	C23	105.4°	104.6°
N21	C22	C18	112.4°	110.4°
N21	C22	H7	109.2°	110.5°
C22	N21	H14	110.1°	111.0°
C24	C23	C22	104.4°	105.1°
C24	C23	H8	110.7°	110.3°
C24	C23	H9	110.7°	110.4°
C23	C24	H10	110.3°	110.3°
C23	C24	H11	110.3°	110.3°
C23	C22	C18	112.7°	110.4°
C23	C22	H7	108.6°	110.4°
C22	C23	H8	110.7°	110.3°
C22	C23	H9	110.7°	110.3°
C22	C18	C17	112.4°	109.5°
C22	C18	H5	108.7°	109.5°
C22	C18	H6	108.7°	109.5°
C18	C22	H7	108.5°	110.3°
C18	C17	C15	110.5°	109.5°
C18	C17	H3	109.2°	109.5°
C18	C17	H4	109.2°	109.5°
C17	C18	H5	108.7°	109.5°
C17	C18	H6	108.7°	109.5°
C17	C15	C16	119.8°	120.0°
C17	C15	C14	120.5°	120.0°
C15	C17	H3	109.2°	109.5°
C15	C17	H4	109.2°	109.4°
C16	C15	C14	119.6°	120.0°
C15	C16	C11	119.8°	120.1°
C15	C16	H16	120.1°	119.9°
C15	C14	C13	120.0°	120.0°
C15	C14	H2	120.0°	120.0°
C16	C11	C09	122.2°	120.0°
C16	C11	C12	120.4°	120.0°
C11	C16	H16	120.1°	120.0°
C06	C08	C09	99.2°	109.5°
C08	C06	N01	119.0°	119.5°
C08	C06	C05	120.3°	119.6°
C06	C08	H19	112.0°	109.5°
C06	C08	H20	112.0°	109.4°
C08	C09	C11	114.4°	109.5°
C08	C09	H17	108.2°	109.5°
C08	C09	H18	108.2°	109.5°
C09	C08	H19	112.0°	109.5°
C09	C08	H20	112.0°	109.5°
C14	C13	C12	120.2°	120.0°
C14	C13	F13	121.2°	120.0°
C13	C14	H2	120.0°	120.0°
N02	C02	N01	117.9°	119.7°
N02	C02	C03	121.3°	119.7°
C02	N02	H22	109.5°	120.0°
C02	N02	H23	109.5°	120.0°
C06	N01	C02	120.9°	121.6°
N01	C06	C05	120.6°	120.9°
N01	C02	C03	120.7°	120.6°
C06	C05	C04	119.8°	119.3°
C06	C05	H21	120.1°	120.3°
C02	C03	C04	119.1°	119.1°
C02	C03	H24	120.5°	120.4°
C09	C11	C12	117.4°	120.0°
C11	C09	H17	108.2°	109.5°
C11	C09	H18	108.2°	109.5°
C11	C12	C13	119.9°	120.0°
C11	C12	H1	120.1°	120.1°
C12	C13	F13	118.6°	120.0°
C13	C12	H1	120.1°	120.0°
C05	C04	C03	118.9°	118.5°
C05	C04	C07	119.2°	120.8°
C04	C05	H21	120.1°	120.4°
C03	C04	C07	121.9°	120.7°
C04	C03	H24	120.5°	120.5°
C04	C07	H25	109.5°	109.5°
C04	C07	H26	109.5°	109.5°
C04	C07	H27	109.5°	109.4°
H3	C17	H4	109.5°	109.5°
H5	C18	H6	109.5°	109.4°
H8	C23	H9	109.5°	110.3°
H10	C24	H11	109.5°	110.3°
H12	C25	H13	109.5°	110.5°
H17	C09	H18	109.5°	109.4°
H19	C08	H20	109.5°	109.5°
H22	N02	H23	109.5°	120.0°
H25	C07	H26	109.5°	109.5°
H25	C07	H27	109.5°	109.4°
H26	C07	H27	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N21	C25	C24	H12	119.6°	118.8°
N21	C25	C24	H13	119.6°	118.7°
C25	N21	C22	H14	119.6°	119.6°
N21	C25	C24	C23	0.7°	23.8°
C25	N21	C22	C23	30.7°	39.5°
C25	N21	C22	C18	153.7°	158.3°
C25	N21	C22	H7	85.8°	79.3°
N21	C25	C24	H10	118.8°	95.1°
N21	C25	C24	H11	120.2°	142.8°
N21	C25	H12	H13	121.0°	122.5°
C24	C25	N21	C22	18.6°	39.5°
C25	C24	C23	H10	119.5°	118.9°
C25	C24	C23	H11	119.5°	119.1°
C25	C24	C23	C22	18.9°	0.0°
C25	C24	C23	H8	138.1°	118.9°
C25	C24	C23	H9	100.3°	118.9°
C25	C24	H10	H11	121.5°	122.3°
C24	C25	H12	H13	121.1°	122.4°
C24	C25	N21	H14	101.0°	80.1°
N21	C22	C23	C24	30.4°	23.8°
N21	C22	C23	C18	123.0°	118.8°
N21	C22	C23	H7	116.8°	118.9°
N21	C22	C18	H7	120.8°	122.5°
N21	C22	C18	C17	47.8°	69.8°
N21	C22	C18	H5	72.7°	50.2°
N21	C22	C18	H6	168.2°	170.2°
N21	C22	C23	H8	149.6°	95.1°
N21	C22	C23	H9	88.8°	142.8°
C22	N21	C25	H12	101.0°	158.2°
C22	N21	C25	H13	138.3°	79.2°
C24	C23	C22	H8	119.2°	118.9°
C24	C23	C22	H9	119.2°	119.0°
C24	C23	C22	C18	153.3°	142.6°
C24	C23	C22	H7	86.5°	95.1°
C24	C23	H8	H9	122.3°	122.3°
C23	C24	H10	H11	121.5°	122.1°
C23	C24	C25	H12	120.3°	142.6°
C23	C24	C25	H13	119.0°	94.9°
C23	C22	C18	H7	120.3°	122.3°
C23	C22	C18	C17	71.1°	175.0°
C23	C22	C18	H5	168.4°	65.0°
C23	C22	C18	H6	49.3°	55.0°
C22	C23	H8	H9	122.4°	122.1°
C22	C23	C24	H10	100.6°	118.9°
C22	C23	C24	H11	138.4°	119.1°
C23	C22	N21	H14	89.0°	80.1°
C22	C18	C17	H5	120.4°	120.1°
C22	C18	C17	H6	120.5°	120.0°
C22	C18	C17	C15	176.0°	180.0°
C22	C18	C17	H3	63.8°	60.0°
C22	C18	C17	H4	55.9°	60.0°
C22	C18	H5	H6	118.7°	120.0°
C18	C22	C23	H8	87.5°	23.7°
C18	C22	C23	H9	34.2°	98.4°
C18	C22	N21	H14	34.1°	38.7°
C18	C17	C15	H3	120.2°	120.0°
C18	C17	C15	H4	120.1°	120.0°
C18	C17	C15	C16	132.0°	90.0°
C18	C17	C15	C14	47.4°	89.7°
C18	C17	H3	H4	119.5°	120.0°
C17	C18	H5	H6	118.6°	120.0°
C17	C18	C22	H7	168.6°	52.7°
C17	C15	C16	C14	179.4°	179.7°
C17	C15	C16	C11	179.8°	180.0°
C17	C15	C14	C13	179.9°	179.8°
C17	C15	C14	H2	0.1°	0.3°
C15	C17	H3	H4	119.5°	120.0°
C15	C17	C18	H5	55.6°	59.9°
C15	C17	C18	H6	63.5°	60.0°
C17	C15	C16	H16	0.2°	0.3°
C15	C16	C11	H16	180.0°	179.7°
C16	C15	C14	C13	0.5°	0.1°
C15	C16	C11	C09	180.0°	179.9°
C15	C16	C11	C12	0.3°	0.5°
C16	C15	C14	H2	179.5°	180.0°
C16	C15	C17	H3	107.8°	150.0°
C16	C15	C17	H4	11.9°	30.0°
C14	C15	C16	C11	0.4°	0.3°
C15	C14	C13	H2	180.0°	180.0°
C15	C14	C13	C12	0.4°	0.1°
C15	C14	C13	F13	180.0°	179.7°
C14	C15	C17	H3	72.8°	30.3°
C14	C15	C17	H4	167.5°	150.3°
C14	C15	C16	H16	179.6°	180.0°
C16	C11	C09	C08	11.9°	90.0°
C16	C11	C09	C12	179.7°	179.5°
C16	C11	C12	C13	0.2°	0.5°
C16	C11	C12	H1	179.8°	179.5°
C16	C11	C09	H17	108.8°	150.0°
C16	C11	C09	H18	132.6°	30.0°
C06	C08	C09	H19	118.3°	120.0°
C06	C08	C09	H20	118.3°	119.9°
C08	C06	N01	C05	175.8°	179.7°
C08	C06	N01	C02	178.3°	180.0°
C06	C08	C09	C11	176.6°	180.0°
C08	C06	C05	C04	177.7°	180.0°
C06	C08	C09	H17	62.7°	60.0°
C06	C08	C09	H18	55.9°	60.0°
C06	C08	H19	H20	124.8°	120.0°
C08	C06	C05	H21	2.4°	0.1°
C09	C08	C06	N01	85.2°	55.3°
C09	C08	C06	C05	90.6°	125.0°
C08	C09	C11	H17	120.7°	120.0°
C08	C09	C11	H18	120.7°	120.0°
C08	C09	C11	C12	167.8°	90.5°
C08	C09	H17	H18	117.7°	120.0°
C09	C08	H19	H20	124.8°	120.0°
C14	C13	C12	C11	0.2°	0.3°
C14	C13	C12	F13	179.6°	179.7°
C14	C13	C12	H1	179.8°	179.7°
N02	C02	N01	C06	179.2°	180.0°
N02	C02	N01	C03	179.1°	180.0°
N02	C02	C03	C04	179.4°	179.7°
C02	N02	H22	H23	120.0°	180.0°
N02	C02	C03	H24	0.6°	0.0°
C06	N01	C02	C03	1.7°	0.0°
N01	C06	C05	C04	1.9°	0.3°
N01	C06	C08	H19	33.1°	175.3°
N01	C06	C08	H20	156.5°	64.7°
N01	C06	C05	H21	178.1°	179.8°
C02	N01	C06	C05	2.5°	0.3°
N01	C02	C03	C04	0.2°	0.3°
N01	C02	N02	H22	0.0°	0.0°
N01	C02	N02	H23	120.0°	180.0°
N01	C02	C03	H24	179.7°	180.0°
C06	C05	C04	H21	180.0°	180.0°
C06	C05	C04	C03	0.5°	0.0°
C06	C05	C04	C07	179.4°	180.0°
C05	C06	C08	H19	151.1°	5.0°
C05	C06	C08	H20	27.7°	115.0°
C02	C03	C04	C05	0.3°	0.3°
C02	C03	C04	H24	180.0°	179.7°
C02	C03	C04	C07	179.8°	179.8°
C03	C02	N02	H22	179.2°	180.0°
C03	C02	N02	H23	59.1°	0.0°
C09	C11	C12	C13	179.9°	179.9°
C09	C11	C12	H1	0.1°	0.1°
C09	C11	C16	H16	0.0°	0.3°
C11	C09	H17	H18	117.8°	120.0°
C11	C09	C08	H19	58.3°	60.0°
C11	C09	C08	H20	65.1°	60.1°
C11	C12	C13	H1	180.0°	180.0°
C11	C12	C13	F13	179.9°	180.0°
C12	C11	C16	H16	179.7°	179.8°
C12	C11	C09	H17	71.5°	29.6°
C12	C11	C09	H18	47.1°	149.5°
C12	C13	C14	H2	179.5°	180.0°
F13	C13	C12	H1	0.1°	0.0°
F13	C13	C14	H2	0.1°	0.3°
C05	C04	C03	C07	179.9°	179.9°
C05	C04	C03	H24	179.7°	180.0°
C05	C04	C07	H25	90.0°	89.9°
C05	C04	C07	H26	150.0°	150.0°
C05	C04	C07	H27	30.1°	30.0°
C03	C04	C05	H21	179.6°	179.9°
C03	C04	C07	H25	89.9°	90.1°
C03	C04	C07	H26	30.1°	30.0°
C03	C04	C07	H27	150.0°	150.0°
C07	C04	C05	H21	0.5°	0.0°
C07	C04	C03	H24	0.2°	0.1°
C04	C07	H25	H26	120.0°	120.1°
C04	C07	H25	H27	120.0°	119.9°
C04	C07	H26	H27	120.0°	120.0°
H3	C17	C18	H5	175.8°	180.0°
H3	C17	C18	H6	56.7°	60.0°
H4	C17	C18	H5	64.6°	60.0°
H4	C17	C18	H6	176.3°	180.0°
H5	C18	C22	H7	48.2°	172.7°
H6	C18	C22	H7	71.0°	67.3°
H7	C22	C23	H8	32.7°	146.0°
H7	C22	C23	H9	154.4°	23.9°
H7	C22	N21	H14	154.6°	161.1°
H8	C23	C24	H10	18.6°	0.0°
H8	C23	C24	H11	102.4°	122.1°
H9	C23	C24	H10	140.2°	122.2°
H9	C23	C24	H11	19.2°	0.1°
H10	C24	C25	H12	0.8°	23.8°
H10	C24	C25	H13	121.5°	146.2°
H11	C24	C25	H12	120.2°	98.4°
H11	C24	C25	H13	0.5°	24.1°
H12	C25	N21	H14	139.4°	38.7°
H13	C25	N21	H14	18.7°	161.2°
H17	C09	C08	H19	179.0°	180.0°
H17	C09	C08	H20	55.6°	60.0°
H18	C09	C08	H19	62.4°	60.0°
H18	C09	C08	H20	174.2°	179.9°
H25	C07	H26	H27	120.0°	120.0°

Release date:	2019-03-13
Definition date:	2019-01-03
Last modified:	2019-03-08
Release status:	REL
Processing site:	RCSB
Derived from:	6NG4