6ZG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	C12	doub	1.40Å	1.39Å	Aromatic
C13	N14	sing	1.32Å	1.32Å	Aromatic
C12	N11	sing	1.32Å	1.32Å	Aromatic
N14	C15	doub	1.33Å	1.36Å	Aromatic
N11	C10	doub	1.34Å	1.37Å	Aromatic
C15	C10	sing	1.42Å	1.41Å	Aromatic
C15	C16	sing	1.42Å	1.44Å	Aromatic
C10	C09	sing	1.41Å	1.41Å	Aromatic
N17	C16	sing	1.38Å	1.34Å
N17	C18	sing	1.46Å	1.45Å
C16	N23	doub	1.32Å	1.35Å	Aromatic
C09	C08	doub	1.38Å	1.37Å	Aromatic
C18	C19	sing	1.53Å	1.51Å
C20	C19	sing	1.53Å	1.52Å
C20	C21	sing	1.53Å	1.51Å
N23	C08	sing	1.34Å	1.36Å	Aromatic
N22	C21	sing	1.47Å	1.46Å
C08	C05	sing	1.48Å	1.48Å
C05	C04	doub	1.39Å	1.39Å	Aromatic
C05	C06	sing	1.39Å	1.39Å	Aromatic
C04	C03	sing	1.38Å	1.38Å	Aromatic
C06	C07	doub	1.38Å	1.38Å	Aromatic
C03	C02	doub	1.38Å	1.38Å	Aromatic
C07	C02	sing	1.38Å	1.38Å	Aromatic
C02	C01	sing	1.51Å	1.51Å
C13	H1	sing	1.08Å	1.08Å
C20	H2	sing	1.09Å	1.10Å
C20	H3	sing	1.09Å	1.10Å
C21	H4	sing	1.09Å	1.10Å
C21	H5	sing	1.09Å	1.10Å
C01	H6	sing	1.09Å	1.10Å
C01	H7	sing	1.09Å	1.10Å
C01	H8	sing	1.09Å	1.10Å
C03	H9	sing	1.08Å	1.08Å
C04	H10	sing	1.08Å	1.08Å
C06	H11	sing	1.08Å	1.08Å
C07	H12	sing	1.08Å	1.08Å
C09	H13	sing	1.08Å	1.08Å
C12	H14	sing	1.08Å	1.08Å
N17	H15	sing	0.97Å	1.00Å
C18	H16	sing	1.09Å	1.10Å
C18	H17	sing	1.09Å	1.10Å
C19	H18	sing	1.09Å	1.10Å
C19	H19	sing	1.09Å	1.10Å
N22	H20	sing	1.01Å	1.00Å
N22	H21	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C13	N14	122.5°	120.8°
C13	C12	N11	122.9°	120.7°
C12	C13	H1	118.7°	119.6°
C13	C12	H14	118.6°	119.7°
C13	N14	C15	116.2°	119.6°
N14	C13	H1	118.7°	119.5°
C12	N11	C10	116.4°	119.5°
N11	C12	H14	118.5°	119.7°
N14	C15	C10	121.6°	119.6°
N14	C15	C16	121.5°	121.7°
N11	C10	C15	120.4°	119.8°
N11	C10	C09	119.6°	121.9°
C10	C15	C16	116.9°	118.7°
C15	C10	C09	120.0°	118.3°
C15	C16	N17	120.8°	120.0°
C15	C16	N23	121.2°	120.1°
C10	C09	C08	119.2°	118.8°
C10	C09	H13	120.4°	120.6°
C16	N17	C18	123.5°	120.0°
N17	C16	N23	117.9°	119.9°
C16	N17	H15	105.9°	119.9°
N17	C18	C19	112.5°	109.5°
C18	N17	H15	105.8°	120.0°
N17	C18	H16	108.7°	109.5°
N17	C18	H17	108.7°	109.5°
C16	N23	C08	120.8°	122.5°
C09	C08	N23	121.8°	121.6°
C09	C08	C05	123.0°	119.2°
C08	C09	H13	120.4°	120.6°
C18	C19	C20	113.0°	109.5°
C19	C18	H16	108.7°	109.5°
C19	C18	H17	108.7°	109.4°
C18	C19	H18	108.6°	109.4°
C18	C19	H19	108.6°	109.5°
C19	C20	C21	112.7°	109.4°
C19	C20	H2	108.6°	109.4°
C19	C20	H3	108.7°	109.4°
C20	C19	H18	108.6°	109.5°
C20	C19	H19	108.6°	109.5°
C20	C21	N22	111.7°	109.5°
C21	C20	H2	108.7°	109.5°
C21	C20	H3	108.6°	109.5°
C20	C21	H4	108.9°	109.5°
C20	C21	H5	108.9°	109.5°
N23	C08	C05	115.1°	119.2°
N22	C21	H4	108.9°	109.5°
N22	C21	H5	108.9°	109.4°
C21	N22	H20	109.5°	111.0°
C21	N22	H21	109.5°	111.1°
C08	C05	C04	121.7°	120.1°
C08	C05	C06	120.6°	120.1°
C04	C05	C06	117.6°	119.8°
C05	C04	C03	120.8°	119.8°
C05	C04	H10	119.6°	120.1°
C05	C06	C07	121.1°	119.8°
C05	C06	H11	119.4°	120.1°
C04	C03	C02	121.4°	120.2°
C04	C03	H9	119.3°	119.9°
C03	C04	H10	119.6°	120.1°
C06	C07	C02	121.3°	120.1°
C07	C06	H11	119.4°	120.1°
C06	C07	H12	119.4°	119.9°
C03	C02	C07	117.9°	120.2°
C03	C02	C01	121.1°	119.9°
C02	C03	H9	119.3°	119.9°
C07	C02	C01	121.1°	119.9°
C02	C07	H12	119.4°	119.9°
C02	C01	H6	109.5°	109.5°
C02	C01	H7	109.5°	109.5°
C02	C01	H8	109.5°	109.5°
H2	C20	H3	109.5°	109.5°
H4	C21	H5	109.5°	109.5°
H6	C01	H7	109.5°	109.4°
H6	C01	H8	109.5°	109.4°
H7	C01	H8	109.5°	109.5°
H16	C18	H17	109.5°	109.5°
H18	C19	H19	109.5°	109.5°
H20	N22	H21	109.4°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C13	N14	H1	180.0°	179.8°
C13	C12	N11	H14	180.0°	179.7°
C12	C13	N14	C15	0.3°	0.3°
C13	C12	N11	C10	0.2°	0.1°
N14	C13	C12	N11	0.3°	0.2°
C13	N14	C15	C10	0.9°	0.1°
C13	N14	C15	C16	179.4°	180.0°
N14	C13	C12	H14	179.7°	180.0°
C12	N11	C10	C15	0.5°	0.3°
C12	N11	C10	C09	179.0°	180.0°
N11	C12	C13	H1	179.7°	180.0°
N14	C15	C10	N11	1.1°	0.2°
N14	C15	C10	C16	179.7°	180.0°
N14	C15	C10	C09	179.6°	180.0°
N14	C15	C16	N17	0.2°	0.0°
N14	C15	C16	N23	180.0°	179.9°
C15	N14	C13	H1	179.7°	179.9°
N11	C10	C15	C09	178.5°	179.7°
N11	C10	C15	C16	179.2°	179.7°
N11	C10	C09	C08	179.8°	179.8°
N11	C10	C09	H13	0.2°	0.3°
C10	N11	C12	H14	179.9°	179.7°
C10	C15	C16	N17	179.5°	180.0°
C10	C15	C16	N23	0.3°	0.0°
C15	C10	C09	C08	1.6°	0.0°
C15	C10	C09	H13	178.3°	180.0°
C16	C15	C10	C09	0.7°	0.0°
C15	C16	N17	N23	179.9°	179.9°
C15	C16	N17	C18	173.2°	180.0°
C15	C16	N23	C08	0.9°	0.1°
C15	C16	N17	H15	51.3°	0.0°
C10	C09	C08	H13	180.0°	179.9°
C10	C09	C08	N23	2.3°	0.1°
C10	C09	C08	C05	178.4°	180.0°
C16	N17	C18	H15	121.9°	180.0°
C16	N17	C18	C19	72.9°	180.0°
N17	C16	N23	C08	178.9°	180.0°
C16	N17	C18	H16	166.7°	60.0°
C16	N17	C18	H17	47.5°	60.0°
C18	N17	C16	N23	7.0°	0.1°
N17	C18	C19	H16	120.5°	120.0°
N17	C18	C19	H17	120.4°	120.0°
N17	C18	C19	C20	72.1°	180.0°
N17	C18	H16	H17	118.6°	120.0°
N17	C18	C19	H18	167.4°	60.0°
N17	C18	C19	H19	48.4°	60.0°
C16	N23	C08	C09	1.9°	0.1°
C16	N23	C08	C05	178.3°	180.0°
N23	C16	N17	H15	128.9°	179.9°
C09	C08	N23	C05	176.4°	179.9°
C09	C08	C05	C04	9.5°	180.0°
C09	C08	C05	C06	167.6°	0.0°
C18	C19	C20	H18	120.5°	120.0°
C18	C19	C20	H19	120.5°	120.0°
C18	C19	C20	C21	170.7°	180.0°
C18	C19	C20	H2	50.2°	60.0°
C18	C19	C20	H3	68.9°	60.0°
C19	C18	N17	H15	49.0°	0.0°
C19	C18	H16	H17	118.6°	120.0°
C18	C19	H18	H19	118.4°	120.0°
C19	C20	C21	H2	120.5°	120.0°
C19	C20	C21	H3	120.5°	119.9°
C19	C20	C21	N22	175.5°	180.0°
C19	C20	H2	H3	118.5°	120.0°
C19	C20	C21	H4	55.2°	60.0°
C19	C20	C21	H5	64.2°	60.0°
C20	C19	C18	H16	48.4°	60.0°
C20	C19	C18	H17	167.5°	60.0°
C20	C19	H18	H19	118.4°	120.0°
C20	C21	N22	H4	120.3°	120.0°
C20	C21	N22	H5	120.3°	120.0°
C21	C20	H2	H3	118.5°	120.1°
C20	C21	H4	H5	119.0°	120.0°
C21	C20	C19	H18	68.8°	60.0°
C21	C20	C19	H19	50.1°	60.0°
C20	C21	N22	H20	180.0°	56.0°
C20	C21	N22	H21	60.0°	179.9°
N23	C08	C05	C04	174.1°	0.0°
N23	C08	C05	C06	8.8°	179.9°
N23	C08	C09	H13	177.7°	180.0°
N22	C21	C20	H2	64.0°	60.0°
N22	C21	C20	H3	55.0°	60.1°
N22	C21	H4	H5	119.0°	120.0°
C21	N22	H20	H21	120.0°	124.0°
C08	C05	C04	C06	177.2°	180.0°
C08	C05	C04	C03	178.2°	180.0°
C08	C05	C06	C07	177.9°	179.8°
C08	C05	C04	H10	1.8°	0.0°
C08	C05	C06	H11	2.1°	0.1°
C05	C08	C09	H13	1.6°	0.1°
C05	C04	C03	H10	180.0°	180.0°
C04	C05	C06	C07	0.7°	0.2°
C05	C04	C03	C02	0.6°	0.0°
C05	C04	C03	H9	179.4°	180.0°
C04	C05	C06	H11	179.3°	179.9°
C06	C05	C04	C03	1.0°	0.0°
C05	C06	C07	H11	180.0°	179.8°
C05	C06	C07	C02	0.2°	0.5°
C06	C05	C04	H10	179.0°	180.0°
C05	C06	C07	H12	179.8°	180.0°
C04	C03	C02	H9	180.0°	180.0°
C04	C03	C02	C07	0.2°	0.2°
C04	C03	C02	C01	179.9°	180.0°
C06	C07	C02	C03	0.6°	0.5°
C06	C07	C02	H12	180.0°	179.5°
C06	C07	C02	C01	179.7°	179.8°
C03	C02	C07	C01	179.7°	179.8°
C03	C02	C01	H6	89.8°	90.0°
C03	C02	C01	H7	150.2°	150.0°
C03	C02	C01	H8	30.2°	30.0°
C02	C03	C04	H10	179.4°	180.0°
C03	C02	C07	H12	179.4°	180.0°
C07	C02	C01	H6	89.8°	90.2°
C07	C02	C01	H7	30.2°	29.7°
C07	C02	C01	H8	150.2°	149.8°
C07	C02	C03	H9	179.8°	179.8°
C02	C07	C06	H11	179.8°	179.7°
C02	C01	H6	H7	120.0°	120.0°
C02	C01	H6	H8	120.0°	120.1°
C02	C01	H7	H8	120.0°	120.1°
C01	C02	C03	H9	0.1°	0.0°
C01	C02	C07	H12	0.3°	0.3°
H1	C13	C12	H14	0.3°	0.3°
H2	C20	C21	H4	175.6°	59.9°
H2	C20	C21	H5	56.3°	180.0°
H2	C20	C19	H18	170.7°	180.0°
H2	C20	C19	H19	70.3°	60.0°
H3	C20	C21	H4	65.3°	180.0°
H3	C20	C21	H5	175.3°	59.9°
H3	C20	C19	H18	51.6°	60.0°
H3	C20	C19	H19	170.6°	180.0°
H4	C21	N22	H20	59.7°	64.0°
H4	C21	N22	H21	179.7°	59.9°
H5	C21	N22	H20	59.7°	176.0°
H5	C21	N22	H21	60.3°	60.1°
H6	C01	H7	H8	120.0°	119.9°
H9	C03	C04	H10	0.6°	0.1°
H11	C06	C07	H12	0.2°	0.2°
H15	N17	C18	H16	71.4°	120.0°
H15	N17	C18	H17	169.5°	120.0°
H16	C18	C19	H18	72.1°	60.0°
H16	C18	C19	H19	168.9°	NaN°
H17	C18	C19	H18	46.9°	180.0°
H17	C18	C19	H19	72.0°	60.0°

Release date:	2016-09-14
Definition date:	2016-07-30
Last modified:	2016-09-09
Release status:	REL
Processing site:	EBI
Derived from:	5LMA