VDT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N04	C01	sing	1.38Å	1.46Å
C14	O01	sing	1.43Å	1.41Å
C01	N01	doub	1.33Å	1.32Å	Aromatic
C01	N02	sing	1.32Å	1.34Å	Aromatic
N01	C04	sing	1.33Å	1.32Å	Aromatic
O01	C09	sing	1.36Å	1.42Å
N02	C02	doub	1.33Å	1.33Å	Aromatic
C04	N03	sing	1.38Å	1.44Å
C04	C03	doub	1.41Å	1.39Å	Aromatic
C02	C03	sing	1.41Å	1.37Å	Aromatic
C02	C08	sing	1.48Å	1.53Å
C09	C10	doub	1.39Å	1.40Å	Aromatic
C09	C08	sing	1.40Å	1.38Å	Aromatic
C03	C05	sing	1.43Å	1.53Å
C10	C11	sing	1.38Å	1.38Å	Aromatic
C08	C13	doub	1.39Å	1.40Å	Aromatic
C05	C06	trip	1.17Å	1.18Å
C11	C12	doub	1.38Å	1.39Å	Aromatic
C13	C12	sing	1.38Å	1.39Å	Aromatic
C06	C07	sing	1.47Å	1.53Å
C07	C15	sing	1.53Å	1.52Å
C07	C16	sing	1.53Å	1.53Å
C15	C16	sing	1.53Å	1.55Å
C10	H1	sing	1.08Å	1.08Å
C13	H2	sing	1.08Å	1.08Å
C15	H3	sing	1.09Å	1.10Å
C15	H4	sing	1.09Å	1.10Å
C07	H5	sing	1.09Å	1.10Å
C11	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
C14	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.09Å	1.10Å
C14	H10	sing	1.09Å	1.10Å
C16	H11	sing	1.09Å	1.10Å
C16	H12	sing	1.09Å	1.10Å
N03	H13	sing	0.97Å	1.00Å
N03	H14	sing	0.97Å	1.00Å
N04	H15	sing	0.97Å	1.00Å
N04	H16	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N04	C01	N01	123.5°	118.9°
N04	C01	N02	121.8°	118.9°
C01	N04	H15	109.5°	120.0°
C01	N04	H16	109.5°	120.1°
C14	O01	C09	117.0°	117.0°
O01	C14	H8	109.5°	109.5°
O01	C14	H9	109.5°	109.5°
O01	C14	H10	109.5°	109.5°
N01	C01	N02	114.8°	122.2°
C01	N01	C04	118.9°	121.0°
C01	N02	C02	129.1°	120.9°
N01	C04	N03	119.0°	120.5°
N01	C04	C03	126.8°	118.9°
O01	C09	C10	125.5°	120.1°
O01	C09	C08	114.5°	120.2°
N02	C02	C03	116.4°	118.9°
N02	C02	C08	124.2°	120.5°
N03	C04	C03	114.2°	120.5°
C04	N03	H13	109.5°	120.0°
C04	N03	H14	109.5°	120.0°
C04	C03	C02	114.0°	118.1°
C04	C03	C05	121.2°	120.9°
C03	C02	C08	119.4°	120.6°
C02	C03	C05	124.8°	121.0°
C02	C08	C09	114.6°	120.2°
C02	C08	C13	123.5°	120.2°
C10	C09	C08	120.0°	119.7°
C09	C10	C11	118.2°	120.1°
C09	C10	H1	120.9°	119.9°
C09	C08	C13	121.9°	119.7°
C03	C05	C06	178.4°	180.0°
C10	C11	C12	122.0°	120.4°
C11	C10	H1	120.9°	120.0°
C10	C11	H6	119.0°	119.8°
C08	C13	C12	117.8°	119.9°
C08	C13	H2	121.1°	120.0°
C05	C06	C07	178.8°	180.0°
C11	C12	C13	120.2°	120.2°
C12	C11	H6	119.0°	119.8°
C11	C12	H7	119.9°	119.9°
C12	C13	H2	121.1°	120.0°
C13	C12	H7	119.9°	119.9°
C06	C07	C15	116.4°	117.5°
C06	C07	C16	113.1°	117.5°
C06	C07	H5	117.9°	115.6°
C15	C07	C16	61.0°	60.0°
C07	C15	C16	59.6°	60.0°
C07	C15	H3	120.1°	117.5°
C07	C15	H4	120.1°	117.5°
C15	C07	H5	118.0°	117.5°
C07	C16	C15	59.4°	60.0°
C16	C07	H5	117.9°	117.5°
C07	C16	H11	120.1°	117.5°
C07	C16	H12	120.1°	117.5°
C16	C15	H3	120.1°	117.5°
C16	C15	H4	120.1°	117.4°
C15	C16	H11	120.1°	117.5°
C15	C16	H12	120.1°	117.5°
H3	C15	H4	109.5°	115.6°
H8	C14	H9	109.5°	109.5°
H8	C14	H10	109.5°	109.5°
H9	C14	H10	109.5°	109.4°
H11	C16	H12	109.4°	115.6°
H13	N03	H14	109.4°	120.0°
H15	N04	H16	109.5°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N04	C01	N01	N02	179.4°	179.8°
N04	C01	N01	C04	179.4°	179.8°
N04	C01	N02	C02	178.8°	179.8°
C01	N04	H15	H16	120.0°	179.9°
C14	O01	C09	C10	3.1°	0.1°
C14	O01	C09	C08	176.4°	180.0°
O01	C14	H8	H9	120.0°	120.0°
O01	C14	H8	H10	120.0°	120.0°
O01	C14	H9	H10	120.0°	120.0°
N01	C01	N02	C02	1.8°	0.0°
C01	N01	C04	N03	179.9°	180.0°
C01	N01	C04	C03	0.4°	0.1°
N01	C01	N04	H15	0.0°	0.1°
N01	C01	N04	H16	120.0°	180.0°
N02	C01	N01	C04	0.1°	0.0°
C01	N02	C02	C03	2.9°	0.0°
C01	N02	C02	C08	179.3°	180.0°
N02	C01	N04	H15	179.3°	179.7°
N02	C01	N04	H16	60.6°	0.2°
N01	C04	N03	C03	179.8°	179.9°
N01	C04	C03	C02	0.7°	0.1°
N01	C04	C03	C05	179.5°	180.0°
N01	C04	N03	H13	0.0°	180.0°
N01	C04	N03	H14	120.0°	0.1°
O01	C09	C08	C02	1.0°	0.3°
O01	C09	C10	C08	179.4°	179.9°
O01	C09	C10	C11	180.0°	180.0°
O01	C09	C08	C13	179.4°	179.5°
O01	C09	C10	H1	0.0°	0.2°
C09	O01	C14	H8	180.0°	60.0°
C09	O01	C14	H9	60.0°	60.1°
C09	O01	C14	H10	60.0°	180.0°
N02	C02	C03	C04	2.1°	0.1°
N02	C02	C03	C08	177.9°	180.0°
N02	C02	C08	C09	75.1°	50.1°
N02	C02	C03	C05	179.2°	180.0°
N02	C02	C08	C13	106.5°	130.6°
N03	C04	C03	C02	179.1°	180.0°
N03	C04	C03	C05	0.3°	0.1°
C04	N03	H13	H14	120.0°	179.9°
C04	C03	C02	C05	178.7°	179.9°
C04	C03	C02	C08	180.0°	180.0°
C04	C03	C05	C06	10.0°	126.8°
C03	C04	N03	H13	179.8°	0.1°
C03	C04	N03	H14	60.2°	180.0°
C03	C02	C08	C09	102.7°	129.9°
C03	C02	C08	C13	75.7°	49.3°
C02	C03	C05	C06	168.6°	53.3°
C02	C08	C09	C10	179.6°	179.8°
C02	C08	C09	C13	178.5°	179.2°
C08	C02	C03	C05	1.2°	0.1°
C02	C08	C13	C12	179.5°	180.0°
C02	C08	C13	H2	0.5°	0.5°
C09	C10	C11	H1	180.0°	179.8°
C10	C09	C08	C13	1.1°	0.5°
C09	C10	C11	C12	0.1°	0.2°
C09	C10	C11	H6	179.9°	179.8°
C08	C09	C10	C11	0.5°	0.0°
C09	C08	C13	C12	1.1°	0.8°
C08	C09	C10	H1	179.5°	179.8°
C09	C08	C13	H2	178.9°	179.7°
C03	C05	C06	C07	55.0°	86.2°
C10	C11	C12	H6	180.0°	180.0°
C10	C11	C12	C13	0.1°	0.0°
C10	C11	C12	H7	179.8°	179.4°
C08	C13	C12	C11	0.6°	0.5°
C08	C13	C12	H2	180.0°	179.6°
C08	C13	C12	H7	179.4°	179.9°
C05	C06	C07	C15	125.7°	147.1°
C05	C06	C07	C16	166.4°	144.3°
C05	C06	C07	H5	23.1°	1.4°
C11	C12	C13	H7	180.0°	179.5°
C12	C11	C10	H1	179.9°	179.9°
C11	C12	C13	H2	179.4°	180.0°
C13	C12	C11	H6	179.8°	180.0°
C06	C07	C15	C16	103.1°	107.5°
C06	C07	C15	H5	148.8°	145.0°
C06	C07	C16	H5	143.3°	145.1°
C06	C07	C15	H3	147.6°	145.1°
C06	C07	C15	H4	6.3°	0.1°
C06	C07	C16	H11	0.9°	145.0°
C06	C07	C16	H12	142.3°	0.1°
C15	C07	C16	H5	108.3°	107.5°
C07	C15	C16	H3	109.4°	107.5°
C07	C15	C16	H4	109.4°	107.6°
C07	C15	H3	H4	145.0°	145.8°
C15	C07	C16	H11	109.3°	107.5°
C15	C07	C16	H12	109.3°	107.5°
C07	C16	H11	H12	145.1°	145.6°
C16	C15	H3	H4	144.9°	145.6°
C15	C16	H11	H12	145.1°	145.8°
H1	C10	C11	H6	0.1°	0.1°
H2	C13	C12	H7	0.6°	0.5°
H3	C15	C07	H5	1.2°	0.0°
H3	C15	C16	H11	141.3°	0.1°
H3	C15	C16	H12	0.1°	145.0°
H4	C15	C07	H5	142.5°	145.1°
H4	C15	C16	H11	0.1°	145.0°
H4	C15	C16	H12	141.3°	0.1°
H5	C07	C16	H11	142.4°	0.1°
H5	C07	C16	H12	1.0°	145.0°
H6	C11	C12	H7	0.2°	0.6°
H8	C14	H9	H10	120.0°	120.0°

Release date:	2024-03-06
Definition date:	2023-03-01
Last modified:	2024-03-01
Release status:	REL
Processing site:	PDBE
Derived from:	8COQ