DKV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F26	C24	sing	1.40Å	1.38Å
C24	F25	sing	1.40Å	1.39Å
C24	C23	sing	1.53Å	1.50Å
C24	C27	sing	1.53Å	1.50Å
C23	C22	sing	1.53Å	1.54Å
C27	C28	sing	1.53Å	1.53Å
C22	C21	sing	1.53Å	1.51Å
C28	C21	sing	1.53Å	1.56Å
C21	C20	sing	1.53Å	1.50Å
C20	O19	sing	1.43Å	1.44Å
O19	C11	sing	1.43Å	1.42Å
C29	C07	sing	1.46Å	1.46Å	Aromatic
C29	C10	doub	1.34Å	1.41Å	Aromatic
C13	C14	doub	1.38Å	1.42Å	Aromatic
C13	C12	sing	1.38Å	1.39Å	Aromatic
N06	C07	doub	1.33Å	1.38Å	Aromatic
N06	C05	sing	1.32Å	1.36Å	Aromatic
C11	C10	sing	1.51Å	1.57Å
C11	C12	sing	1.51Å	1.59Å
C14	C15	sing	1.38Å	1.41Å	Aromatic
C07	C08	sing	1.41Å	1.40Å	Aromatic
C10	N09	sing	1.37Å	1.41Å	Aromatic
C12	C17	doub	1.38Å	1.41Å	Aromatic
C05	C04	doub	1.38Å	1.39Å	Aromatic
C15	C16	doub	1.38Å	1.41Å	Aromatic
C08	N09	sing	1.37Å	1.42Å	Aromatic
C08	C03	doub	1.40Å	1.44Å	Aromatic
C17	C16	sing	1.38Å	1.42Å	Aromatic
C17	CL1	sing	1.74Å	1.78Å
C04	C03	sing	1.40Å	1.40Å	Aromatic
C03	C02	sing	1.48Å	1.51Å
C02	O01	doub	1.22Å	1.28Å
C02	O30	sing	1.35Å	1.23Å
C13	H1	sing	1.08Å	1.08Å
C15	H2	sing	1.08Å	1.08Å
C20	H3	sing	1.09Å	1.10Å
C20	H4	sing	1.09Å	1.10Å
C21	H5	sing	1.09Å	1.10Å
C22	H6	sing	1.09Å	1.10Å
C22	H7	sing	1.09Å	1.10Å
C28	H8	sing	1.09Å	1.10Å
C28	H9	sing	1.09Å	1.10Å
C04	H10	sing	1.08Å	1.08Å
C05	H11	sing	1.08Å	1.08Å
C11	H12	sing	1.09Å	1.10Å
C14	H13	sing	1.08Å	1.08Å
C16	H14	sing	1.08Å	1.08Å
C23	H15	sing	1.09Å	1.10Å
C23	H16	sing	1.09Å	1.10Å
C27	H17	sing	1.09Å	1.10Å
C27	H18	sing	1.09Å	1.10Å
C29	H19	sing	1.08Å	1.08Å
N09	H20	sing	0.97Å	1.00Å
O30	H21	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F26	C24	F25	105.4°	109.5°
F26	C24	C23	108.7°	109.4°
F26	C24	C27	110.6°	109.5°
F25	C24	C23	109.3°	109.4°
F25	C24	C27	109.3°	109.5°
C23	C24	C27	113.2°	109.5°
C24	C23	C22	112.5°	109.5°
C24	C23	H15	108.7°	109.5°
C24	C23	H16	108.7°	109.5°
C24	C27	C28	112.1°	109.5°
C24	C27	H17	108.8°	109.5°
C24	C27	H18	108.8°	109.4°
C23	C22	C21	109.4°	109.4°
C23	C22	H6	109.5°	109.5°
C23	C22	H7	109.5°	109.5°
C22	C23	H15	108.7°	109.5°
C22	C23	H16	108.7°	109.5°
C27	C28	C21	110.2°	109.5°
C27	C28	H8	109.3°	109.5°
C27	C28	H9	109.3°	109.4°
C28	C27	H17	108.8°	109.5°
C28	C27	H18	108.8°	109.5°
C22	C21	C28	108.6°	109.5°
C22	C21	C20	112.4°	109.4°
C22	C21	H5	109.2°	109.4°
C21	C22	H6	109.5°	109.5°
C21	C22	H7	109.5°	109.4°
C28	C21	C20	108.6°	109.5°
C28	C21	H5	108.6°	109.5°
C21	C28	H8	109.3°	109.5°
C21	C28	H9	109.3°	109.5°
C21	C20	O19	107.3°	109.5°
C21	C20	H3	110.0°	109.4°
C21	C20	H4	110.0°	109.5°
C20	C21	H5	109.3°	109.5°
C20	O19	C11	115.9°	114.0°
O19	C20	H3	110.0°	109.5°
O19	C20	H4	110.0°	109.5°
O19	C11	C10	107.6°	109.5°
O19	C11	C12	105.6°	109.5°
O19	C11	H12	112.3°	109.4°
C07	C29	C10	108.8°	107.0°
C29	C07	N06	131.4°	133.8°
C29	C07	C08	107.1°	105.8°
C07	C29	H19	125.6°	126.5°
C29	C10	C11	129.2°	125.1°
C29	C10	N09	106.1°	110.0°
C10	C29	H19	125.6°	126.5°
C14	C13	C12	122.6°	120.1°
C13	C14	C15	120.3°	120.0°
C14	C13	H1	118.7°	120.0°
C13	C14	H13	119.9°	120.0°
C13	C12	C11	121.0°	120.0°
C13	C12	C17	116.0°	120.0°
C12	C13	H1	118.7°	119.9°
C07	N06	C05	118.2°	121.8°
N06	C07	C08	121.6°	120.5°
N06	C05	C04	123.5°	121.5°
N06	C05	H11	118.2°	119.2°
C10	C11	C12	111.3°	109.5°
C11	C10	N09	124.7°	125.0°
C10	C11	H12	110.1°	109.5°
C11	C12	C17	123.0°	120.0°
C12	C11	H12	109.8°	109.4°
C14	C15	C16	118.5°	120.0°
C14	C15	H2	120.8°	120.0°
C15	C14	H13	119.9°	120.0°
C07	C08	N09	107.2°	107.4°
C07	C08	C03	119.5°	118.8°
C10	N09	C08	110.8°	109.8°
C10	N09	H20	124.6°	125.1°
C12	C17	C16	123.3°	120.0°
C12	C17	CL1	119.6°	120.1°
C05	C04	C03	119.9°	119.5°
C05	C04	H10	120.1°	120.2°
C04	C05	H11	118.2°	119.3°
C15	C16	C17	119.3°	120.0°
C16	C15	H2	120.7°	119.9°
C15	C16	H14	120.4°	120.0°
N09	C08	C03	133.4°	133.7°
C08	N09	H20	124.6°	125.1°
C08	C03	C04	117.4°	117.9°
C08	C03	C02	121.5°	121.1°
C16	C17	CL1	117.1°	120.0°
C17	C16	H14	120.3°	120.0°
C04	C03	C02	121.1°	121.0°
C03	C04	H10	120.1°	120.3°
C03	C02	O01	119.8°	120.0°
C03	C02	O30	119.8°	120.0°
O01	C02	O30	120.4°	120.0°
C02	O30	H21	109.5°	117.0°
H3	C20	H4	109.5°	109.5°
H6	C22	H7	109.5°	109.5°
H8	C28	H9	109.5°	109.5°
H15	C23	H16	109.5°	109.4°
H17	C27	H18	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F26	C24	F25	C23	116.6°	119.9°
F26	C24	F25	C27	118.9°	120.1°
F26	C24	C23	C27	123.4°	120.0°
F26	C24	C23	C22	174.8°	180.0°
F26	C24	C27	C28	172.6°	180.0°
F26	C24	C23	H15	64.7°	60.0°
F26	C24	C23	H16	54.4°	60.0°
F26	C24	C27	H17	52.3°	60.0°
F26	C24	C27	H18	67.0°	60.0°
F25	C24	C23	C27	122.1°	120.0°
F25	C24	C23	C22	70.6°	60.0°
F25	C24	C27	C28	71.7°	60.0°
F25	C24	C23	H15	49.8°	180.0°
F25	C24	C23	H16	168.9°	60.0°
F25	C24	C27	H17	167.9°	179.9°
F25	C24	C27	H18	48.6°	60.1°
C24	C23	C22	H15	120.4°	120.0°
C24	C23	C22	H16	120.4°	120.1°
C23	C24	C27	C28	50.3°	60.0°
C24	C23	C22	C21	57.0°	60.0°
C24	C23	C22	H6	63.0°	180.0°
C24	C23	C22	H7	177.0°	60.0°
C24	C23	H15	H16	118.6°	120.0°
C23	C24	C27	H17	70.0°	60.0°
C23	C24	C27	H18	170.7°	180.0°
C27	C24	C23	C22	51.4°	60.0°
C24	C27	C28	H17	120.4°	120.0°
C24	C27	C28	H18	120.4°	120.0°
C24	C27	C28	C21	54.5°	60.0°
C24	C27	C28	H8	174.6°	60.0°
C24	C27	C28	H9	65.6°	180.0°
C27	C24	C23	H15	171.9°	60.0°
C27	C24	C23	H16	69.0°	180.0°
C24	C27	H17	H18	118.8°	120.0°
C23	C22	C21	H6	120.0°	120.0°
C23	C22	C21	H7	120.0°	120.0°
C23	C22	C21	C28	60.7°	60.0°
C23	C22	C21	C20	179.1°	180.0°
C23	C22	C21	H5	57.5°	60.0°
C23	C22	H6	H7	120.0°	120.0°
C22	C23	H15	H16	118.6°	119.9°
C27	C28	C21	C22	60.2°	60.0°
C27	C28	C21	H8	120.1°	120.0°
C27	C28	C21	H9	120.1°	120.0°
C27	C28	C21	C20	177.2°	180.0°
C27	C28	C21	H5	58.4°	60.0°
C27	C28	H8	H9	119.7°	119.9°
C28	C27	H17	H18	118.8°	120.1°
C22	C21	C28	C20	122.6°	120.0°
C22	C21	C28	H5	118.7°	120.0°
C22	C21	C20	H5	121.5°	120.0°
C22	C21	C20	O19	157.9°	175.0°
C22	C21	C20	H3	38.2°	65.1°
C22	C21	C20	H4	82.4°	55.0°
C21	C22	H6	H7	120.0°	120.0°
C22	C21	C28	H8	179.7°	60.0°
C22	C21	C28	H9	59.9°	180.0°
C21	C22	C23	H15	177.5°	60.0°
C21	C22	C23	H16	63.4°	180.0°
C28	C21	C20	H5	118.3°	120.0°
C28	C21	C20	O19	37.6°	65.0°
C28	C21	C20	H3	82.0°	55.0°
C28	C21	C20	H4	157.3°	175.0°
C28	C21	C22	H6	59.3°	180.0°
C28	C21	C22	H7	179.3°	60.0°
C21	C28	H8	H9	119.7°	120.0°
C21	C28	C27	H17	65.9°	60.0°
C21	C28	C27	H18	174.9°	180.0°
C21	C20	O19	H3	119.6°	119.9°
C21	C20	O19	H4	119.7°	120.0°
C21	C20	O19	C11	174.7°	180.0°
C21	C20	H3	H4	121.0°	120.0°
C20	C21	C22	H6	60.9°	60.0°
C20	C21	C22	H7	59.1°	60.0°
C20	C21	C28	H8	57.1°	60.0°
C20	C21	C28	H9	62.7°	60.0°
C20	O19	C11	C10	87.3°	150.0°
C20	O19	C11	C12	153.7°	89.9°
O19	C20	H3	H4	121.0°	120.0°
O19	C20	C21	H5	80.7°	55.0°
C20	O19	C11	H12	34.0°	30.0°
O19	C11	C10	C29	11.8°	155.2°
O19	C11	C12	C13	28.3°	25.1°
O19	C11	C10	C12	115.3°	120.1°
O19	C11	C10	H12	122.7°	120.0°
O19	C11	C12	H12	121.4°	119.9°
O19	C11	C10	N09	168.3°	25.1°
O19	C11	C12	C17	151.4°	155.0°
C11	O19	C20	H3	55.0°	60.0°
C11	O19	C20	H4	65.6°	60.0°
C07	C29	C10	H19	180.0°	179.9°
C29	C07	N06	C08	180.0°	179.4°
C29	C07	N06	C05	180.0°	179.4°
C07	C29	C10	C11	179.8°	179.7°
C07	C29	C10	N09	0.1°	0.0°
C29	C07	C08	N09	0.0°	0.4°
C29	C07	C08	C03	180.0°	179.9°
C10	C29	C07	N06	179.9°	179.8°
C29	C10	C11	N09	179.9°	179.7°
C29	C10	C11	C12	103.5°	84.7°
C10	C29	C07	C08	0.1°	0.3°
C29	C10	N09	C08	0.1°	0.3°
C29	C10	C11	H12	134.5°	35.3°
C29	C10	N09	H20	179.9°	179.8°
C14	C13	C12	H1	180.0°	179.7°
C14	C13	C12	C11	179.9°	179.9°
C13	C14	C15	H13	180.0°	180.0°
C14	C13	C12	C17	0.3°	0.0°
C13	C14	C15	C16	0.0°	0.0°
C13	C14	C15	H2	180.0°	180.0°
C13	C12	C11	C10	88.2°	95.0°
C13	C12	C11	C17	179.7°	179.9°
C12	C13	C14	C15	0.2°	0.0°
C13	C12	C17	C16	0.3°	0.1°
C13	C12	C17	CL1	179.9°	180.0°
C13	C12	C11	H12	149.7°	145.0°
C12	C13	C14	H13	179.8°	180.0°
C07	N06	C05	C04	0.1°	0.8°
N06	C07	C08	N09	180.0°	180.0°
N06	C07	C08	C03	0.0°	0.4°
C07	N06	C05	H11	180.0°	179.6°
N06	C07	C29	H19	0.1°	0.3°
C05	N06	C07	C08	0.0°	0.0°
N06	C05	C04	H11	180.0°	178.8°
N06	C05	C04	C03	0.1°	1.2°
N06	C05	C04	H10	179.9°	179.5°
C10	C11	C12	H12	122.1°	120.0°
C10	C11	C12	C17	92.1°	84.9°
C11	C10	N09	C08	179.8°	180.0°
C11	C10	C29	H19	0.2°	0.2°
C11	C10	N09	H20	0.2°	0.0°
C12	C11	C10	N09	76.3°	95.0°
C11	C12	C17	C16	180.0°	180.0°
C11	C12	C17	CL1	0.1°	0.1°
C11	C12	C13	H1	0.1°	0.4°
C14	C15	C16	H2	180.0°	180.0°
C14	C15	C16	C17	0.0°	0.0°
C15	C14	C13	H1	179.8°	179.7°
C14	C15	C16	H14	180.0°	180.0°
C07	C08	N09	C10	0.1°	0.4°
C07	C08	N09	C03	180.0°	179.5°
C07	C08	C03	C04	0.1°	0.0°
C07	C08	C03	C02	179.9°	180.0°
C08	C07	C29	H19	179.9°	179.8°
C07	C08	N09	H20	179.9°	179.6°
C10	N09	C08	H20	180.0°	180.0°
C10	N09	C08	C03	179.9°	180.0°
N09	C10	C11	H12	45.6°	145.0°
N09	C10	C29	H19	179.9°	179.9°
C12	C17	C16	C15	0.1°	0.1°
C12	C17	C16	CL1	179.9°	180.0°
C17	C12	C13	H1	179.7°	179.7°
C17	C12	C11	H12	30.1°	35.1°
C12	C17	C16	H14	179.9°	179.9°
C05	C04	C03	C08	0.1°	0.8°
C05	C04	C03	H10	180.0°	179.2°
C05	C04	C03	C02	180.0°	179.2°
C15	C16	C17	H14	180.0°	180.0°
C15	C16	C17	CL1	180.0°	180.0°
C16	C15	C14	H13	180.0°	180.0°
N09	C08	C03	C04	179.9°	179.4°
N09	C08	C03	C02	0.1°	0.5°
C08	C03	C04	C02	179.8°	179.9°
C08	C03	C02	O01	16.3°	0.1°
C08	C03	C02	O30	163.4°	180.0°
C08	C03	C04	H10	179.9°	180.0°
C03	C08	N09	H20	0.1°	0.1°
C17	C16	C15	H2	180.0°	180.0°
CL1	C17	C16	H14	0.0°	0.0°
C04	C03	C02	O01	163.9°	180.0°
C04	C03	C02	O30	16.5°	0.1°
C03	C04	C05	H11	179.9°	180.0°
C03	C02	O01	O30	179.7°	179.9°
C02	C03	C04	H10	0.0°	0.0°
C03	C02	O30	H21	179.7°	180.0°
O01	C02	O30	H21	0.0°	0.0°
H1	C13	C14	H13	0.2°	0.3°
H2	C15	C14	H13	0.0°	0.0°
H2	C15	C16	H14	0.1°	0.0°
H3	C20	C21	H5	159.7°	175.0°
H4	C20	C21	H5	39.0°	65.0°
H5	C21	C22	H6	177.5°	60.0°
H5	C21	C22	H7	62.5°	180.0°
H5	C21	C28	H8	61.7°	180.0°
H5	C21	C28	H9	178.6°	60.0°
H6	C22	C23	H15	57.5°	60.0°
H6	C22	C23	H16	176.6°	60.0°
H7	C22	C23	H15	62.6°	180.0°
H7	C22	C23	H16	56.6°	60.1°
H8	C28	C27	H17	54.2°	180.0°
H8	C28	C27	H18	65.0°	60.0°
H9	C28	C27	H17	174.0°	60.0°
H9	C28	C27	H18	54.8°	60.0°
H10	C04	C05	H11	0.1°	0.8°

Release date:	2018-03-28
Definition date:	2017-10-30
Last modified:	2018-03-23
Release status:	REL
Processing site:	RCSB
Derived from:	6BGX