Y5R

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL01	C02	sing	1.74Å	1.78Å
C02	C07	doub	1.38Å	1.39Å	Aromatic
C02	C03	sing	1.39Å	1.39Å	Aromatic
C07	C06	sing	1.39Å	1.42Å	Aromatic
C03	C04	doub	1.38Å	1.39Å	Aromatic
C19	C18	sing	1.53Å	1.53Å
C19	N20	sing	1.47Å	1.46Å
C06	C08	sing	1.50Å	1.53Å
C06	C05	doub	1.37Å	1.35Å	Aromatic
C18	C17	sing	1.51Å	1.51Å
C04	C05	sing	1.39Å	1.42Å	Aromatic
N20	C21	sing	1.47Å	1.46Å
C08	C09	sing	1.50Å	1.53Å
C05	C16	sing	1.48Å	1.54Å
C17	C16	doub	1.34Å	1.32Å
C17	C22	sing	1.51Å	1.51Å
C21	C22	sing	1.53Å	1.53Å
C16	C15	sing	1.48Å	1.56Å
C09	C10	sing	1.51Å	1.56Å
C15	C10	doub	1.38Å	1.39Å	Aromatic
C15	N14	sing	1.34Å	1.35Å	Aromatic
C10	C11	sing	1.40Å	1.42Å	Aromatic
N14	C13	doub	1.31Å	1.33Å	Aromatic
C11	C12	doub	1.38Å	1.39Å	Aromatic
C13	C12	sing	1.38Å	1.40Å	Aromatic
C13	H1	sing	1.08Å	1.08Å
C21	H2	sing	1.09Å	1.10Å
C21	H3	sing	1.09Å	1.10Å
C22	H4	sing	1.09Å	1.10Å
C22	H5	sing	1.09Å	1.10Å
C03	H6	sing	1.08Å	1.08Å
C04	H7	sing	1.08Å	1.08Å
C07	H8	sing	1.08Å	1.08Å
C08	H9	sing	1.09Å	1.10Å
C08	H10	sing	1.09Å	1.10Å
C09	H11	sing	1.09Å	1.10Å
C09	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.08Å	1.08Å
C12	H14	sing	1.08Å	1.08Å
C18	H15	sing	1.09Å	1.10Å
C18	H16	sing	1.09Å	1.10Å
C19	H17	sing	1.09Å	1.10Å
C19	H18	sing	1.09Å	1.10Å
N20	H19	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL01	C02	C07	120.1°	119.7°
CL01	C02	C03	119.6°	119.7°
C07	C02	C03	120.3°	120.6°
C02	C07	C06	119.1°	119.6°
C02	C07	H8	120.4°	120.2°
C02	C03	C04	120.4°	120.0°
C02	C03	H6	119.8°	120.0°
C07	C06	C08	121.4°	120.1°
C07	C06	C05	120.6°	119.6°
C06	C07	H8	120.5°	120.2°
C03	C04	C05	119.2°	119.0°
C04	C03	H6	119.8°	120.0°
C03	C04	H7	120.4°	120.5°
C18	C19	N20	112.1°	109.4°
C19	C18	C17	113.4°	108.3°
C19	C18	H15	108.5°	109.7°
C19	C18	H16	108.5°	109.8°
C18	C19	H17	108.8°	109.5°
C18	C19	H18	108.8°	109.5°
C19	N20	C21	111.7°	111.7°
N20	C19	H17	108.8°	109.5°
N20	C19	H18	108.8°	109.5°
C19	N20	H19	108.9°	111.0°
C08	C06	C05	118.0°	120.3°
C06	C08	C09	111.5°	113.1°
C06	C08	H9	109.0°	108.7°
C06	C08	H10	108.9°	108.8°
C06	C05	C04	120.4°	121.2°
C06	C05	C16	117.5°	117.4°
C18	C17	C16	125.1°	121.1°
C18	C17	C22	108.9°	117.8°
C17	C18	H15	108.5°	109.7°
C17	C18	H16	108.5°	109.7°
C04	C05	C16	122.1°	121.4°
C05	C04	H7	120.4°	120.5°
N20	C21	C22	111.9°	109.4°
N20	C21	H2	108.8°	109.6°
N20	C21	H3	108.9°	109.4°
C21	N20	H19	108.9°	111.1°
C08	C09	C10	116.7°	115.2°
C09	C08	H9	108.9°	108.8°
C09	C08	H10	109.0°	108.8°
C08	C09	H11	107.6°	108.4°
C08	C09	H12	107.6°	108.4°
C05	C16	C17	121.2°	119.3°
C05	C16	C15	116.2°	121.5°
C16	C17	C22	126.0°	121.1°
C17	C16	C15	122.6°	119.2°
C17	C22	C21	113.4°	108.2°
C17	C22	H4	108.5°	109.7°
C17	C22	H5	108.5°	109.7°
C22	C21	H2	108.9°	109.5°
C22	C21	H3	108.8°	109.5°
C21	C22	H4	108.5°	109.7°
C21	C22	H5	108.5°	109.7°
C16	C15	C10	122.6°	123.4°
C16	C15	N14	117.9°	116.0°
C09	C10	C15	125.9°	128.1°
C09	C10	C11	113.4°	114.3°
C10	C09	H11	107.6°	108.3°
C10	C09	H12	107.7°	108.3°
C10	C15	N14	119.5°	120.5°
C15	C10	C11	120.7°	117.6°
C15	N14	C13	121.5°	122.8°
C10	C11	C12	117.5°	119.9°
C10	C11	H13	121.3°	120.0°
N14	C13	C12	121.5°	120.0°
N14	C13	H1	119.3°	120.0°
C11	C12	C13	119.3°	119.1°
C12	C11	H13	121.2°	120.1°
C11	C12	H14	120.3°	120.5°
C12	C13	H1	119.2°	120.0°
C13	C12	H14	120.4°	120.4°
H2	C21	H3	109.5°	109.5°
H4	C22	H5	109.5°	109.8°
H9	C08	H10	109.5°	108.6°
H11	C09	H12	109.5°	108.1°
H15	C18	H16	109.5°	109.7°
H17	C19	H18	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL01	C02	C07	C03	180.0°	180.0°
CL01	C02	C07	C06	180.0°	180.0°
CL01	C02	C03	C04	179.5°	179.6°
CL01	C02	C03	H6	0.5°	0.4°
CL01	C02	C07	H8	0.0°	0.0°
C02	C07	C06	H8	180.0°	180.0°
C07	C02	C03	C04	0.5°	0.4°
C02	C07	C06	C08	179.8°	179.4°
C02	C07	C06	C05	0.1°	0.4°
C07	C02	C03	H6	179.5°	179.6°
C03	C02	C07	C06	0.1°	0.0°
C02	C03	C04	H6	180.0°	180.0°
C02	C03	C04	C05	0.9°	0.2°
C02	C03	C04	H7	179.1°	179.8°
C03	C02	C07	H8	179.9°	180.0°
C07	C06	C08	C05	179.8°	179.8°
C07	C06	C05	C04	0.5°	0.6°
C07	C06	C08	C09	103.1°	107.9°
C07	C06	C05	C16	179.3°	178.9°
C07	C06	C08	H9	136.6°	13.0°
C07	C06	C08	H10	17.2°	131.1°
C03	C04	C05	C06	0.9°	0.2°
C03	C04	C05	H7	180.0°	179.9°
C03	C04	C05	C16	179.7°	179.2°
C18	C19	N20	H17	120.4°	120.0°
C18	C19	N20	H18	120.4°	120.0°
C19	C18	C17	H15	120.6°	119.7°
C19	C18	C17	H16	120.6°	119.8°
C18	C19	N20	C21	55.0°	65.1°
C19	C18	C17	C16	129.2°	130.9°
C19	C18	C17	C22	51.3°	49.3°
C19	C18	H15	H16	118.2°	120.6°
C18	C19	H17	H18	118.8°	120.0°
C18	C19	N20	H19	65.4°	170.2°
N20	C19	C18	C17	54.3°	53.8°
C19	N20	C21	H19	120.3°	124.6°
C19	N20	C21	C22	54.9°	65.1°
C19	N20	C21	H2	175.3°	174.9°
C19	N20	C21	H3	65.4°	54.8°
N20	C19	C18	H15	174.9°	173.5°
N20	C19	C18	H16	66.3°	66.0°
N20	C19	H17	H18	118.8°	120.1°
C08	C06	C05	C04	179.4°	179.2°
C06	C08	C09	H9	120.3°	120.9°
C06	C08	C09	H10	120.3°	120.9°
C08	C06	C05	C16	0.6°	1.3°
C06	C08	C09	C10	67.0°	68.5°
C08	C06	C07	H8	0.2°	0.6°
C06	C08	H9	H10	119.1°	118.2°
C06	C08	C09	H11	172.0°	170.0°
C06	C08	C09	H12	54.0°	53.0°
C06	C05	C04	C16	178.8°	179.4°
C05	C06	C08	C09	76.8°	71.9°
C06	C05	C16	C17	111.3°	117.6°
C06	C05	C16	C15	68.5°	62.4°
C06	C05	C04	H7	179.1°	179.7°
C05	C06	C07	H8	179.9°	179.6°
C05	C06	C08	H9	43.5°	167.2°
C05	C06	C08	H10	162.9°	49.1°
C18	C17	C16	C05	0.4°	0.2°
C18	C17	C16	C22	179.4°	179.8°
C18	C17	C22	C21	51.3°	49.3°
C18	C17	C16	C15	179.8°	179.7°
C18	C17	C22	H4	171.9°	70.4°
C18	C17	C22	H5	69.3°	168.9°
C17	C18	H15	H16	118.2°	120.6°
C17	C18	C19	H17	174.7°	66.2°
C17	C18	C19	H18	66.0°	173.8°
C04	C05	C16	C17	69.9°	61.8°
C04	C05	C16	C15	110.3°	118.1°
C05	C04	C03	H6	179.1°	179.8°
N20	C21	C22	C17	54.4°	53.7°
N20	C21	C22	H2	120.4°	120.1°
N20	C21	C22	H3	120.4°	119.9°
N20	C21	H2	H3	118.9°	120.0°
N20	C21	C22	H4	174.9°	65.9°
N20	C21	C22	H5	66.2°	173.4°
C21	N20	C19	H17	175.4°	54.8°
C21	N20	C19	H18	65.4°	174.9°
C08	C09	C10	H11	121.0°	121.5°
C08	C09	C10	H12	121.1°	121.5°
C08	C09	C10	C15	7.7°	12.5°
C08	C09	C10	C11	171.5°	166.5°
C09	C08	H9	H10	119.1°	118.3°
C08	C09	H11	H12	116.7°	117.2°
C05	C16	C17	C15	179.8°	180.0°
C05	C16	C17	C22	179.8°	180.0°
C05	C16	C15	C10	51.1°	42.6°
C05	C16	C15	N14	127.3°	136.5°
C16	C05	C04	H7	0.4°	0.9°
C16	C17	C22	C21	129.2°	131.0°
C17	C16	C15	C10	128.7°	137.5°
C17	C16	C15	N14	52.8°	43.5°
C16	C17	C22	H4	8.6°	109.4°
C16	C17	C22	H5	110.2°	11.3°
C16	C17	C18	H15	8.6°	11.3°
C16	C17	C18	H16	110.2°	109.3°
C17	C22	C21	H4	120.6°	119.6°
C17	C22	C21	H5	120.6°	119.7°
C22	C17	C16	C15	0.4°	0.0°
C17	C22	C21	H2	174.7°	173.8°
C17	C22	C21	H3	66.0°	66.2°
C17	C22	H4	H5	118.2°	120.6°
C22	C17	C18	H15	171.8°	169.0°
C22	C17	C18	H16	69.3°	70.5°
C22	C21	H2	H3	118.9°	120.1°
C21	C22	H4	H5	118.2°	120.6°
C22	C21	N20	H19	65.4°	170.3°
C16	C15	C10	C09	1.1°	3.3°
C16	C15	C10	N14	178.4°	179.0°
C16	C15	C10	C11	179.6°	177.6°
C16	C15	N14	C13	179.9°	178.0°
C09	C10	C15	C11	179.2°	179.1°
C09	C10	C15	N14	179.6°	177.7°
C09	C10	C11	C12	179.9°	178.3°
C10	C09	C08	H9	53.3°	170.6°
C10	C09	C08	H10	172.7°	52.4°
C10	C09	H11	H12	116.7°	117.2°
C09	C10	C11	H13	0.1°	1.6°
C10	C15	N14	C13	1.4°	1.0°
C15	C10	C11	C12	0.6°	0.8°
C15	C10	C09	H11	128.8°	134.0°
C15	C10	C09	H12	113.3°	109.0°
C15	C10	C11	H13	179.4°	179.2°
N14	C15	C10	C11	1.2°	1.3°
C15	N14	C13	C12	0.9°	0.1°
C15	N14	C13	H1	179.1°	180.0°
C10	C11	C12	H13	180.0°	180.0°
C10	C11	C12	C13	0.1°	0.0°
C11	C10	C09	H11	50.5°	45.1°
C11	C10	C09	H12	67.4°	71.9°
C10	C11	C12	H14	179.9°	180.0°
N14	C13	C12	C11	0.3°	0.4°
N14	C13	C12	H1	180.0°	179.9°
N14	C13	C12	H14	179.7°	179.6°
C11	C12	C13	H14	180.0°	180.0°
C11	C12	C13	H1	179.7°	179.5°
C13	C12	C11	H13	179.8°	180.0°
H1	C13	C12	H14	0.3°	0.5°
H2	C21	C22	H4	64.7°	54.1°
H2	C21	C22	H5	54.1°	66.6°
H2	C21	N20	H19	55.0°	50.3°
H3	C21	C22	H4	54.5°	174.1°
H3	C21	C22	H5	173.4°	53.5°
H3	C21	N20	H19	174.2°	69.7°
H6	C03	C04	H7	0.9°	0.2°
H9	C08	C09	H11	67.7°	49.1°
H9	C08	C09	H12	174.3°	67.9°
H10	C08	C09	H11	51.7°	69.0°
H10	C08	C09	H12	66.2°	173.9°
H13	C11	C12	H14	0.2°	0.0°
H15	C18	C19	H17	64.7°	53.5°
H15	C18	C19	H18	54.5°	66.5°
H16	C18	C19	H17	54.1°	174.1°
H16	C18	C19	H18	173.4°	54.0°
H17	C19	N20	H19	55.0°	69.8°
H18	C19	N20	H19	174.3°	50.3°

Release date:	2024-01-17
Definition date:	2023-11-21
Last modified:	2024-01-12
Release status:	REL
Processing site:	PDBJ
Derived from:	8X64