O51

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N01	C02	sing	1.47Å	1.53Å
C02	C03	sing	1.53Å	1.60Å
C03	N04	sing	1.46Å	1.50Å
O23	C05	doub	1.22Å	1.23Å
N04	C05	sing	1.35Å	1.47Å
C05	N06	sing	1.35Å	1.48Å
N06	C22	sing	1.47Å	1.47Å
N06	C07	sing	1.47Å	1.49Å
C22	C21	sing	1.53Å	1.57Å
C07	C08	sing	1.53Å	1.59Å
C21	C20	sing	1.53Å	1.57Å
C20	C08	sing	1.53Å	1.57Å
C08	C09	sing	1.51Å	1.62Å
O10	C09	doub	1.21Å	1.23Å
C09	N11	sing	1.35Å	1.48Å
N11	C12	sing	1.40Å	1.48Å
C12	C13	doub	1.39Å	1.40Å	Aromatic
C12	C19	sing	1.39Å	1.41Å	Aromatic
C13	C14	sing	1.38Å	1.44Å	Aromatic
C19	C18	doub	1.38Å	1.41Å	Aromatic
C14	F15	sing	1.35Å	1.33Å
C14	C16	doub	1.39Å	1.47Å	Aromatic
C18	C16	sing	1.38Å	1.39Å	Aromatic
C16	CL1	sing	1.74Å	1.72Å
C02	H1	sing	1.09Å	1.10Å
C02	H2	sing	1.09Å	1.10Å
C03	H3	sing	1.09Å	1.10Å
C03	H4	sing	1.09Å	1.10Å
C07	H5	sing	1.09Å	1.10Å
C07	H6	sing	1.09Å	1.10Å
C08	H7	sing	1.09Å	1.10Å
C13	H8	sing	1.08Å	1.08Å
C18	H9	sing	1.08Å	1.08Å
C19	H10	sing	1.08Å	1.08Å
C20	H11	sing	1.09Å	1.10Å
C20	H12	sing	1.09Å	1.10Å
C21	H13	sing	1.09Å	1.10Å
C21	H14	sing	1.09Å	1.10Å
C22	H15	sing	1.09Å	1.10Å
C22	H16	sing	1.09Å	1.10Å
N01	H17	sing	1.01Å	1.00Å
N01	H18	sing	1.01Å	1.00Å
N04	H20	sing	0.97Å	1.00Å
N11	H21	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N01	C02	C03	111.8°	109.4°
N01	C02	H1	108.9°	109.4°
N01	C02	H2	108.9°	109.4°
C02	N01	H17	109.5°	111.0°
C02	N01	H18	109.4°	111.0°
C02	C03	N04	111.0°	109.4°
C03	C02	H1	108.9°	109.5°
C03	C02	H2	108.9°	109.5°
C02	C03	H3	109.1°	109.5°
C02	C03	H4	109.1°	109.5°
C03	N04	C05	122.6°	120.0°
N04	C03	H3	109.1°	109.5°
N04	C03	H4	109.1°	109.5°
C03	N04	H20	118.7°	120.0°
O23	C05	N04	117.5°	120.0°
O23	C05	N06	119.2°	120.0°
N04	C05	N06	123.2°	120.0°
C05	N04	H20	118.7°	120.0°
C05	N06	C22	120.5°	120.6°
C05	N06	C07	122.4°	120.7°
C22	N06	C07	117.1°	118.7°
N06	C22	C21	109.1°	108.8°
N06	C22	H15	109.6°	109.6°
N06	C22	H16	109.5°	109.7°
N06	C07	C08	111.3°	108.8°
N06	C07	H5	109.0°	109.6°
N06	C07	H6	109.0°	109.7°
C22	C21	C20	112.5°	109.3°
C22	C21	H13	108.7°	109.5°
C22	C21	H14	108.7°	109.5°
C21	C22	H15	109.6°	109.5°
C21	C22	H16	109.6°	109.6°
C07	C08	C20	106.9°	109.3°
C07	C08	C09	113.0°	109.5°
C08	C07	H5	109.0°	109.6°
C08	C07	H6	109.0°	109.6°
C07	C08	H7	108.1°	109.5°
C21	C20	C08	109.5°	109.5°
C21	C20	H11	109.5°	109.4°
C21	C20	H12	109.4°	109.4°
C20	C21	H13	108.7°	109.5°
C20	C21	H14	108.7°	109.5°
C20	C08	C09	112.8°	109.5°
C20	C08	H7	108.2°	109.5°
C08	C20	H11	109.5°	109.5°
C08	C20	H12	109.5°	109.5°
C08	C09	O10	117.4°	119.9°
C08	C09	N11	121.7°	120.0°
C09	C08	H7	107.7°	109.5°
O10	C09	N11	120.9°	120.0°
C09	N11	C12	129.0°	120.0°
C09	N11	H21	115.5°	120.0°
N11	C12	C13	122.4°	120.0°
N11	C12	C19	119.9°	120.1°
C12	N11	H21	115.5°	120.0°
C13	C12	C19	117.7°	119.9°
C12	C13	C14	123.3°	119.9°
C12	C13	H8	118.4°	120.1°
C12	C19	C18	121.6°	120.0°
C12	C19	H10	119.2°	120.0°
C13	C14	F15	124.7°	120.0°
C13	C14	C16	116.7°	120.0°
C14	C13	H8	118.4°	120.0°
C19	C18	C16	121.0°	120.1°
C19	C18	H9	119.5°	119.9°
C18	C19	H10	119.2°	120.0°
F15	C14	C16	118.7°	120.0°
C14	C16	C18	119.8°	120.1°
C14	C16	CL1	117.5°	120.0°
C18	C16	CL1	122.8°	120.0°
C16	C18	H9	119.5°	120.0°
H1	C02	H2	109.5°	109.5°
H3	C03	H4	109.4°	109.5°
H5	C07	H6	109.5°	109.6°
H11	C20	H12	109.5°	109.5°
H13	C21	H14	109.5°	109.5°
H15	C22	H16	109.5°	109.6°
H17	N01	H18	109.5°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N01	C02	C03	H1	120.3°	119.9°
N01	C02	C03	H2	120.3°	119.9°
N01	C02	C03	N04	137.5°	180.0°
N01	C02	H1	H2	118.9°	119.9°
N01	C02	C03	H3	17.2°	60.0°
N01	C02	C03	H4	102.3°	60.0°
C02	N01	H17	H18	120.0°	124.0°
C02	C03	N04	H3	120.3°	120.0°
C02	C03	N04	H4	120.2°	120.0°
C02	C03	N04	C05	142.4°	180.0°
C03	C02	H1	H2	119.0°	120.1°
C02	C03	H3	H4	119.3°	120.0°
C03	C02	N01	H17	180.0°	180.0°
C03	C02	N01	H18	60.0°	56.0°
C02	C03	N04	H20	37.6°	0.0°
C03	N04	C05	O23	0.2°	4.9°
C03	N04	C05	H20	180.0°	179.9°
C03	N04	C05	N06	179.8°	174.9°
N04	C03	C02	H1	102.2°	60.0°
N04	C03	C02	H2	17.1°	60.1°
N04	C03	H3	H4	119.3°	120.1°
O23	C05	N04	N06	179.6°	179.9°
O23	C05	N06	C22	0.8°	175.0°
O23	C05	N06	C07	179.7°	5.0°
O23	C05	N04	H20	179.8°	175.0°
N04	C05	N06	C22	179.6°	5.1°
N04	C05	N06	C07	0.8°	174.9°
C05	N04	C03	H3	97.3°	60.1°
C05	N04	C03	H4	22.2°	60.0°
C05	N06	C22	C07	178.9°	180.0°
C05	N06	C22	C21	116.6°	126.4°
C05	N06	C07	C08	154.9°	126.4°
C05	N06	C07	H5	84.8°	113.8°
C05	N06	C07	H6	34.6°	6.6°
C05	N06	C22	H15	3.4°	6.6°
C05	N06	C22	H16	123.5°	113.7°
N06	C05	N04	H20	0.2°	5.1°
N06	C22	C21	H15	119.9°	119.8°
N06	C22	C21	H16	119.9°	120.0°
C22	N06	C07	C08	24.0°	53.6°
N06	C22	C21	C20	31.8°	54.7°
C22	N06	C07	H5	96.3°	66.2°
C22	N06	C07	H6	144.3°	173.5°
N06	C22	C21	H13	88.7°	65.3°
N06	C22	C21	H14	152.2°	174.6°
N06	C22	H15	H16	120.2°	120.4°
C07	N06	C22	C21	62.4°	53.6°
N06	C07	C08	H5	120.3°	119.8°
N06	C07	C08	H6	120.3°	119.9°
N06	C07	C08	C20	40.0°	54.7°
N06	C07	C08	C09	164.6°	174.6°
N06	C07	H5	H6	119.1°	120.4°
N06	C07	C08	H7	76.4°	65.3°
C07	N06	C22	H15	177.7°	173.4°
C07	N06	C22	H16	57.5°	66.3°
C22	C21	C20	H13	120.4°	119.9°
C22	C21	C20	H14	120.4°	120.0°
C22	C21	C20	C08	29.3°	61.4°
C22	C21	C20	H11	90.8°	178.6°
C22	C21	C20	H12	149.3°	58.6°
C22	C21	H13	H14	118.6°	120.1°
C21	C22	H15	H16	120.2°	120.3°
C07	C08	C20	C21	66.2°	61.4°
C07	C08	C20	C09	124.7°	119.9°
C07	C08	C20	H7	116.2°	120.0°
C07	C08	C09	H7	119.3°	120.1°
C07	C08	C09	O10	26.0°	120.0°
C07	C08	C09	N11	153.4°	60.0°
C08	C07	H5	H6	119.2°	120.3°
C07	C08	C20	H11	53.8°	178.6°
C07	C08	C20	H12	173.8°	58.6°
C21	C20	C08	H11	120.0°	120.0°
C21	C20	C08	H12	120.0°	120.0°
C21	C20	C08	C09	169.0°	178.7°
C21	C20	C08	H7	50.0°	58.6°
C21	C20	H11	H12	119.9°	120.0°
C20	C21	H13	H14	118.6°	120.1°
C20	C21	C22	H15	151.7°	174.5°
C20	C21	C22	H16	88.1°	65.3°
C20	C08	C09	H7	119.4°	120.1°
C20	C08	C09	O10	95.3°	0.2°
C20	C08	C09	N11	85.2°	179.8°
C20	C08	C07	H5	160.2°	65.1°
C20	C08	C07	H6	80.3°	174.6°
C08	C20	H11	H12	120.0°	120.0°
C08	C20	C21	H13	149.7°	58.6°
C08	C20	C21	H14	91.2°	178.7°
C08	C09	O10	N11	179.4°	180.0°
C08	C09	N11	C12	178.3°	174.9°
C09	C08	C07	H5	75.1°	54.8°
C09	C08	C07	H6	44.3°	65.5°
C09	C08	C20	H11	71.0°	58.7°
C09	C08	C20	H12	49.0°	61.4°
C08	C09	N11	H21	1.7°	5.1°
O10	C09	N11	C12	1.2°	5.2°
O10	C09	C08	H7	145.3°	119.9°
O10	C09	N11	H21	178.8°	174.9°
C09	N11	C12	H21	180.0°	179.9°
C09	N11	C12	C13	0.2°	33.1°
C09	N11	C12	C19	177.8°	147.1°
N11	C09	C08	H7	34.1°	60.1°
N11	C12	C13	C19	178.0°	179.7°
N11	C12	C13	C14	179.0°	179.7°
N11	C12	C19	C18	179.0°	179.8°
N11	C12	C13	H8	1.0°	0.3°
N11	C12	C19	H10	1.0°	0.2°
C12	C13	C14	H8	180.0°	180.0°
C13	C12	C19	C18	0.9°	0.0°
C12	C13	C14	F15	179.4°	180.0°
C12	C13	C14	C16	0.5°	0.0°
C13	C12	C19	H10	179.1°	180.0°
C13	C12	N11	H21	179.8°	146.8°
C19	C12	C13	C14	0.9°	0.0°
C12	C19	C18	H10	180.0°	180.0°
C12	C19	C18	C16	0.6°	0.0°
C19	C12	C13	H8	179.0°	180.0°
C12	C19	C18	H9	179.4°	180.0°
C19	C12	N11	H21	2.2°	33.0°
C13	C14	F15	C16	180.0°	179.9°
C13	C14	C16	C18	0.1°	0.0°
C13	C14	C16	CL1	179.9°	180.0°
C19	C18	C16	C14	0.1°	0.0°
C19	C18	C16	H9	180.0°	180.0°
C19	C18	C16	CL1	179.9°	180.0°
F15	C14	C16	C18	179.8°	180.0°
F15	C14	C16	CL1	0.0°	0.1°
F15	C14	C13	H8	0.6°	0.0°
C14	C16	C18	CL1	179.8°	180.0°
C16	C14	C13	H8	179.4°	179.9°
C14	C16	C18	H9	179.9°	180.0°
C16	C18	C19	H10	179.4°	180.0°
CL1	C16	C18	H9	0.1°	0.0°
H1	C02	C03	H3	137.6°	59.9°
H1	C02	C03	H4	18.0°	179.9°
H1	C02	N01	H17	59.7°	60.0°
H1	C02	N01	H18	60.4°	176.0°
H2	C02	C03	H3	103.1°	179.9°
H2	C02	C03	H4	137.4°	59.9°
H2	C02	N01	H17	59.7°	60.0°
H2	C02	N01	H18	179.7°	64.0°
H3	C03	N04	H20	82.7°	120.0°
H4	C03	N04	H20	157.8°	119.9°
H5	C07	C08	H7	43.9°	174.9°
H6	C07	C08	H7	163.4°	54.5°
H7	C08	C20	H11	170.0°	61.4°
H7	C08	C20	H12	70.0°	178.6°
H9	C18	C19	H10	0.6°	0.1°
H11	C20	C21	H13	29.7°	61.4°
H11	C20	C21	H14	148.8°	58.7°
H12	C20	C21	H13	90.3°	178.5°
H12	C20	C21	H14	28.8°	61.4°
H13	C21	C22	H15	31.3°	54.5°
H13	C21	C22	H16	151.4°	174.8°
H14	C21	C22	H15	87.9°	65.6°
H14	C21	C22	H16	32.3°	54.6°

Release date:	2019-10-23
Definition date:	2019-06-11
Last modified:	2019-10-18
Release status:	REL
Processing site:	RCSB
Derived from:	6P9N