V2K

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O12	C13	sing	1.43Å	1.40Å
O12	C11	sing	1.36Å	1.40Å
C11	C14	doub	1.38Å	1.39Å	Aromatic
C11	C10	sing	1.39Å	1.39Å	Aromatic
C14	C15	sing	1.40Å	1.42Å	Aromatic
C10	C09	doub	1.38Å	1.38Å	Aromatic
C15	N16	sing	1.36Å	1.36Å	Aromatic
C15	C08	doub	1.40Å	1.36Å	Aromatic
C09	C08	sing	1.39Å	1.42Å	Aromatic
N16	C17	doub	1.30Å	1.34Å	Aromatic
C08	N07	sing	1.39Å	1.35Å	Aromatic
C17	N07	sing	1.36Å	1.33Å	Aromatic
C17	C18	sing	1.51Å	1.53Å
N07	C06	sing	1.40Å	1.45Å
C06	C05	doub	1.39Å	1.38Å	Aromatic
C06	C19	sing	1.39Å	1.38Å	Aromatic
C05	C04	sing	1.37Å	1.38Å	Aromatic
C19	C20	doub	1.37Å	1.38Å	Aromatic
C04	C03	doub	1.40Å	1.39Å	Aromatic
C20	C03	sing	1.40Å	1.39Å	Aromatic
C03	C02	sing	1.47Å	1.53Å
C10	H1	sing	1.08Å	1.08Å
C13	H2	sing	1.09Å	1.10Å
C13	H3	sing	1.09Å	1.10Å
C13	H4	sing	1.09Å	1.10Å
C14	H5	sing	1.08Å	1.08Å
C18	H6	sing	1.09Å	1.10Å
C18	H7	sing	1.09Å	1.10Å
C18	H8	sing	1.09Å	1.10Å
C02	H9	sing	1.08Å	1.08Å
C04	H12	sing	1.08Å	1.08Å
C05	H13	sing	1.08Å	1.08Å
C09	H14	sing	1.08Å	1.08Å
C19	H15	sing	1.08Å	1.08Å
C20	H16	sing	1.08Å	1.08Å
C02	O1	doub	1.21Å	1.43Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C13	O12	C11	114.6°	117.0°
O12	C13	H2	109.5°	109.4°
O12	C13	H3	109.5°	109.4°
O12	C13	H4	109.5°	109.5°
O12	C11	C14	120.5°	119.8°
O12	C11	C10	119.4°	119.8°
C14	C11	C10	120.1°	120.4°
C11	C14	C15	119.7°	119.7°
C11	C14	H5	120.2°	120.1°
C11	C10	C09	120.4°	120.4°
C11	C10	H1	119.8°	119.8°
C14	C15	N16	133.2°	133.5°
C14	C15	C08	119.9°	119.5°
C15	C14	H5	120.2°	120.2°
C10	C09	C08	119.6°	119.9°
C09	C10	H1	119.8°	119.8°
C10	C09	H14	120.2°	120.0°
N16	C15	C08	107.0°	107.0°
C15	N16	C17	108.5°	109.8°
C15	C08	C09	120.4°	120.0°
C15	C08	N07	107.4°	106.0°
C09	C08	N07	132.1°	134.0°
C08	C09	H14	120.2°	120.0°
N16	C17	N07	108.1°	110.1°
N16	C17	C18	125.3°	125.0°
C08	N07	C17	108.9°	107.2°
C08	N07	C06	123.0°	126.4°
N07	C17	C18	126.5°	125.0°
C17	N07	C06	128.1°	126.4°
C17	C18	H6	109.5°	109.4°
C17	C18	H7	109.5°	109.4°
C17	C18	H8	109.5°	109.5°
N07	C06	C05	122.3°	119.9°
N07	C06	C19	117.6°	119.9°
C05	C06	C19	120.1°	120.2°
C06	C05	C04	119.5°	120.1°
C06	C05	H13	120.2°	120.0°
C06	C19	C20	120.6°	120.1°
C06	C19	H15	119.7°	120.0°
C05	C04	C03	120.5°	119.9°
C05	C04	H12	119.8°	120.1°
C04	C05	H13	120.3°	120.0°
C19	C20	C03	119.3°	119.9°
C20	C19	H15	119.7°	119.9°
C19	C20	H16	120.3°	120.1°
C04	C03	C20	120.0°	119.8°
C04	C03	C02	119.5°	120.1°
C03	C04	H12	119.8°	120.0°
C20	C03	C02	120.5°	120.1°
C03	C20	H16	120.3°	120.0°
C03	C02	H9	120.8°	120.0°
C03	C02	O1	118.5°	120.0°
H2	C13	H3	109.4°	109.5°
H2	C13	H4	109.5°	109.5°
H3	C13	H4	109.5°	109.5°
H6	C18	H7	109.5°	109.5°
H6	C18	H8	109.4°	109.5°
H7	C18	H8	109.5°	109.5°
H9	C02	O1	120.8°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C13	O12	C11	C14	155.9°	180.0°
C13	O12	C11	C10	24.0°	0.1°
O12	C13	H2	H3	120.0°	120.0°
O12	C13	H2	H4	120.0°	120.0°
O12	C13	H3	H4	120.0°	120.0°
O12	C11	C14	C10	179.9°	179.9°
O12	C11	C14	C15	180.0°	180.0°
O12	C11	C10	C09	179.8°	180.0°
O12	C11	C10	H1	0.2°	0.3°
C11	O12	C13	H2	180.0°	180.0°
C11	O12	C13	H3	60.0°	60.0°
C11	O12	C13	H4	60.0°	59.9°
O12	C11	C14	H5	0.0°	0.1°
C11	C14	C15	H5	180.0°	179.9°
C14	C11	C10	C09	0.3°	0.1°
C11	C14	C15	N16	179.6°	179.9°
C11	C14	C15	C08	0.1°	0.0°
C14	C11	C10	H1	179.8°	179.8°
C10	C11	C14	C15	0.0°	0.1°
C11	C10	C09	H1	180.0°	179.7°
C11	C10	C09	C08	0.3°	0.0°
C10	C11	C14	H5	180.0°	180.0°
C11	C10	C09	H14	179.7°	179.7°
C14	C15	N16	C08	179.6°	179.9°
C14	C15	C08	C09	0.1°	0.1°
C14	C15	N16	C17	179.8°	180.0°
C14	C15	C08	N07	179.6°	180.0°
C10	C09	C08	C15	0.2°	0.1°
C10	C09	C08	H14	180.0°	179.7°
C10	C09	C08	N07	179.8°	180.0°
N16	C15	C08	C09	179.7°	180.0°
N16	C15	C08	N07	0.0°	0.1°
C15	N16	C17	N07	0.5°	0.0°
C15	N16	C17	C18	179.7°	180.0°
N16	C15	C14	H5	0.4°	0.0°
C15	C08	C09	N07	179.6°	179.9°
C08	C15	N16	C17	0.3°	0.1°
C15	C08	N07	C17	0.3°	0.1°
C15	C08	N07	C06	178.8°	180.0°
C08	C15	C14	H5	179.9°	179.9°
C15	C08	C09	H14	179.8°	179.8°
C09	C08	N07	C17	179.9°	180.0°
C09	C08	N07	C06	1.6°	0.1°
C08	C09	C10	H1	179.7°	179.7°
N16	C17	N07	C08	0.5°	0.0°
N16	C17	N07	C18	179.8°	180.0°
N16	C17	N07	C06	178.9°	180.0°
N16	C17	C18	H6	0.0°	90.0°
N16	C17	C18	H7	120.0°	29.9°
N16	C17	C18	H8	120.0°	150.0°
C08	N07	C17	C06	178.4°	180.0°
C08	N07	C17	C18	179.8°	179.9°
C08	N07	C06	C05	109.8°	115.0°
C08	N07	C06	C19	68.5°	64.9°
N07	C08	C09	H14	0.2°	0.3°
C17	N07	C06	C05	72.0°	65.0°
C17	N07	C06	C19	109.7°	115.1°
N07	C17	C18	H6	179.8°	90.0°
N07	C17	C18	H7	59.8°	150.0°
N07	C17	C18	H8	60.3°	30.0°
C18	C17	N07	C06	1.3°	0.0°
C17	C18	H6	H7	120.0°	119.9°
C17	C18	H6	H8	120.0°	119.9°
C17	C18	H7	H8	120.0°	120.0°
N07	C06	C05	C19	178.3°	180.0°
N07	C06	C05	C04	179.2°	179.9°
N07	C06	C19	C20	179.4°	179.7°
N07	C06	C05	H13	0.8°	0.0°
N07	C06	C19	H15	0.6°	0.0°
C06	C05	C04	H13	180.0°	180.0°
C05	C06	C19	C20	1.1°	0.3°
C06	C05	C04	C03	0.4°	0.0°
C06	C05	C04	H12	179.6°	180.0°
C05	C06	C19	H15	179.0°	180.0°
C19	C06	C05	C04	0.9°	0.0°
C06	C19	C20	H15	180.0°	179.7°
C06	C19	C20	C03	0.6°	0.6°
C19	C06	C05	H13	179.1°	180.0°
C06	C19	C20	H16	179.3°	180.0°
C05	C04	C03	H12	180.0°	180.0°
C05	C04	C03	C20	0.0°	0.3°
C05	C04	C03	C02	179.9°	180.0°
C19	C20	C03	C04	0.1°	0.6°
C19	C20	C03	H16	180.0°	179.4°
C19	C20	C03	C02	179.8°	179.7°
C04	C03	C20	C02	179.9°	179.7°
C04	C03	C02	H9	21.6°	180.0°
C03	C04	C05	H13	179.6°	180.0°
C04	C03	C20	H16	179.9°	180.0°
C04	C03	C02	O1	158.4°	0.0°
C20	C03	C02	H9	158.3°	0.3°
C20	C03	C04	H12	180.0°	179.7°
C03	C20	C19	H15	179.4°	179.7°
C20	C03	C02	O1	21.7°	179.7°
C03	C02	H9	O1	180.0°	180.0°
C02	C03	C04	H12	0.1°	0.0°
C02	C03	C20	H16	0.3°	0.4°
H1	C10	C09	H14	0.3°	0.0°
H2	C13	H3	H4	120.0°	120.0°
H6	C18	H7	H8	120.0°	120.1°
H12	C04	C05	H13	0.4°	0.1°
H15	C19	C20	H16	0.7°	0.3°

Release date:	2021-06-09
Definition date:	2021-04-08
Last modified:	2024-09-27
Release status:	REL
Processing site:	PDBE
Derived from:	7O59