TLK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C02	sing	1.47Å	1.53Å
C02	C03	doub	1.40Å	1.39Å	Aromatic
C02	C20	sing	1.40Å	1.39Å	Aromatic
C03	C04	sing	1.38Å	1.39Å	Aromatic
C20	C17	doub	1.38Å	1.39Å	Aromatic
C04	C05	doub	1.39Å	1.39Å	Aromatic
C17	C05	sing	1.40Å	1.39Å	Aromatic
C17	O18	sing	1.36Å	1.40Å
C05	N06	sing	1.40Å	1.45Å
C19	O18	sing	1.43Å	1.40Å
N06	C16	sing	1.37Å	1.31Å	Aromatic
N06	C07	sing	1.37Å	1.34Å	Aromatic
C16	C15	doub	1.35Å	1.36Å	Aromatic
C09	C10	doub	1.38Å	1.39Å	Aromatic
C09	C08	sing	1.40Å	1.38Å	Aromatic
C10	C11	sing	1.38Å	1.38Å	Aromatic
C07	C08	sing	1.48Å	1.53Å
C07	N14	doub	1.31Å	1.34Å	Aromatic
C08	C13	doub	1.40Å	1.39Å	Aromatic
C15	N14	sing	1.34Å	1.32Å	Aromatic
C11	C12	doub	1.38Å	1.38Å	Aromatic
C13	C12	sing	1.38Å	1.39Å	Aromatic
C01	H1	sing	1.08Å	1.08Å
C03	H4	sing	1.08Å	1.08Å
C04	H5	sing	1.08Å	1.08Å
C09	H6	sing	1.08Å	1.08Å
C10	H7	sing	1.08Å	1.08Å
C11	H8	sing	1.08Å	1.08Å
C12	H9	sing	1.08Å	1.08Å
C13	H10	sing	1.08Å	1.08Å
C15	H11	sing	1.08Å	1.08Å
C16	H12	sing	1.08Å	1.08Å
C19	H13	sing	1.09Å	1.10Å
C19	H14	sing	1.09Å	1.10Å
C19	H15	sing	1.09Å	1.10Å
C20	H16	sing	1.08Å	1.08Å
C01	O1	doub	1.21Å	1.43Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	C03	120.3°	120.1°
C01	C02	C20	119.6°	120.1°
C02	C01	H1	121.2°	120.0°
C02	C01	O1	117.6°	120.0°
C03	C02	C20	120.1°	119.8°
C02	C03	C04	119.9°	120.0°
C02	C03	H4	120.1°	120.0°
C02	C20	C17	120.1°	119.8°
C02	C20	H16	119.9°	120.1°
C03	C04	C05	120.1°	120.2°
C04	C03	H4	120.0°	120.1°
C03	C04	H5	120.0°	119.9°
C20	C17	C05	119.9°	120.0°
C20	C17	O18	120.1°	120.0°
C17	C20	H16	120.0°	120.1°
C04	C05	C17	120.0°	120.1°
C04	C05	N06	119.4°	120.0°
C05	C04	H5	120.0°	119.9°
C05	C17	O18	120.1°	120.0°
C17	C05	N06	120.5°	119.9°
C17	O18	C19	114.9°	117.0°
C05	N06	C16	124.7°	126.5°
C05	N06	C07	126.8°	126.5°
O18	C19	H13	109.5°	109.5°
O18	C19	H14	109.5°	109.4°
O18	C19	H15	109.5°	109.5°
C16	N06	C07	108.5°	106.9°
N06	C16	C15	107.9°	107.1°
N06	C16	H12	126.0°	126.5°
N06	C07	C08	127.0°	125.9°
N06	C07	N14	107.8°	108.3°
C16	C15	N14	107.8°	108.4°
C16	C15	H11	126.1°	125.8°
C15	C16	H12	126.1°	126.5°
C10	C09	C08	120.1°	119.9°
C09	C10	C11	120.1°	120.1°
C10	C09	H6	120.0°	120.0°
C09	C10	H7	119.9°	119.9°
C09	C08	C07	120.5°	120.2°
C09	C08	C13	119.8°	119.7°
C08	C09	H6	120.0°	120.1°
C10	C11	C12	119.9°	120.3°
C11	C10	H7	119.9°	120.0°
C10	C11	H8	120.1°	119.8°
C08	C07	N14	125.2°	125.9°
C07	C08	C13	119.6°	120.2°
C07	N14	C15	108.0°	109.3°
C08	C13	C12	120.1°	119.9°
C08	C13	H10	120.0°	120.0°
N14	C15	H11	126.1°	125.7°
C11	C12	C13	120.1°	120.2°
C12	C11	H8	120.1°	119.9°
C11	C12	H9	120.0°	119.9°
C13	C12	H9	119.9°	119.9°
C12	C13	H10	120.0°	120.1°
H1	C01	O1	121.2°	120.0°
H13	C19	H14	109.5°	109.4°
H13	C19	H15	109.4°	109.5°
H14	C19	H15	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	C03	C20	180.0°	179.7°
C01	C02	C03	C04	179.9°	180.0°
C01	C02	C20	C17	179.6°	179.7°
C02	C01	H1	O1	180.0°	179.6°
C01	C02	C03	H4	0.1°	0.1°
C01	C02	C20	H16	0.4°	0.1°
C02	C03	C04	H4	180.0°	180.0°
C03	C02	C20	C17	0.4°	0.6°
C02	C03	C04	C05	0.1°	0.0°
C03	C02	C01	H1	172.4°	0.1°
C02	C03	C04	H5	179.9°	180.0°
C03	C02	C20	H16	179.6°	179.7°
C03	C02	C01	O1	7.7°	179.7°
C20	C02	C03	C04	0.1°	0.3°
C02	C20	C17	H16	180.0°	179.6°
C02	C20	C17	C05	0.7°	0.6°
C02	C20	C17	O18	179.6°	179.6°
C20	C02	C01	H1	7.6°	179.7°
C20	C02	C03	H4	179.9°	179.7°
C20	C02	C01	O1	172.3°	0.6°
C03	C04	C05	H5	180.0°	180.0°
C03	C04	C05	C17	0.5°	0.0°
C03	C04	C05	N06	180.0°	180.0°
C20	C17	C05	C04	0.8°	0.3°
C20	C17	C05	O18	178.9°	179.7°
C20	C17	C05	N06	179.7°	179.7°
C20	C17	O18	C19	22.8°	0.2°
C04	C05	C17	N06	179.5°	180.0°
C04	C05	C17	O18	179.6°	179.9°
C04	C05	N06	C16	57.0°	64.9°
C04	C05	N06	C07	122.1°	115.0°
C05	C04	C03	H4	179.9°	179.9°
C05	C17	O18	C19	158.3°	180.0°
C17	C05	N06	C16	123.5°	115.1°
C17	C05	N06	C07	57.4°	65.0°
C17	C05	C04	H5	179.5°	180.0°
C05	C17	C20	H16	179.2°	179.7°
O18	C17	C05	N06	0.8°	0.1°
C17	O18	C19	H13	180.0°	60.0°
C17	O18	C19	H14	60.0°	180.0°
C17	O18	C19	H15	60.0°	60.0°
O18	C17	C20	H16	0.4°	0.0°
C05	N06	C16	C07	179.2°	179.9°
C05	N06	C16	C15	179.7°	179.9°
C05	N06	C07	C08	1.0°	0.1°
C05	N06	C07	N14	179.8°	179.8°
N06	C05	C04	H5	0.0°	0.0°
C05	N06	C16	H12	0.3°	0.1°
O18	C19	H13	H14	120.0°	119.9°
O18	C19	H13	H15	120.0°	120.0°
O18	C19	H14	H15	120.0°	120.0°
N06	C16	C15	H12	180.0°	180.0°
C16	N06	C07	C08	179.8°	180.0°
C16	N06	C07	N14	0.6°	0.3°
N06	C16	C15	N14	0.1°	0.0°
N06	C16	C15	H11	179.9°	179.8°
C07	N06	C16	C15	0.4°	0.2°
N06	C07	C08	C09	51.3°	15.6°
N06	C07	C08	N14	179.1°	179.7°
N06	C07	C08	C13	129.1°	164.7°
N06	C07	N14	C15	0.5°	0.3°
C07	N06	C16	H12	179.6°	179.8°
C16	C15	N14	C07	0.2°	0.1°
C16	C15	N14	H11	180.0°	179.9°
C10	C09	C08	H6	180.0°	179.9°
C09	C10	C11	H7	180.0°	180.0°
C10	C09	C08	C07	180.0°	180.0°
C10	C09	C08	C13	0.3°	0.3°
C09	C10	C11	C12	0.1°	0.1°
C09	C10	C11	H8	179.9°	179.9°
C08	C09	C10	C11	0.3°	0.1°
C09	C08	C07	C13	179.7°	179.6°
C09	C08	C07	N14	129.7°	164.7°
C09	C08	C13	C12	0.2°	0.6°
C08	C09	C10	H7	179.7°	180.0°
C09	C08	C13	H10	179.8°	179.8°
C10	C11	C12	H8	180.0°	179.9°
C10	C11	C12	C13	0.0°	0.4°
C11	C10	C09	H6	179.7°	180.0°
C10	C11	C12	H9	180.0°	180.0°
C08	C07	N14	C15	179.7°	180.0°
C07	C08	C13	C12	179.9°	179.7°
C07	C08	C09	H6	0.0°	0.1°
C07	C08	C13	H10	0.1°	0.1°
N14	C07	C08	C13	50.0°	14.9°
C07	N14	C15	H11	179.7°	180.0°
C08	C13	C12	C11	0.0°	0.6°
C08	C13	C12	H10	180.0°	179.6°
C13	C08	C09	H6	179.7°	179.7°
C08	C13	C12	H9	179.9°	179.7°
N14	C15	C16	H12	179.9°	180.0°
C11	C12	C13	H9	180.0°	179.7°
C12	C11	C10	H7	179.9°	180.0°
C11	C12	C13	H10	180.0°	179.7°
C13	C12	C11	H8	180.0°	179.8°
H4	C03	C04	H5	0.1°	0.0°
H6	C09	C10	H7	0.3°	0.0°
H7	C10	C11	H8	0.1°	0.1°
H8	C11	C12	H9	0.0°	0.1°
H9	C12	C13	H10	0.1°	0.1°
H11	C15	C16	H12	0.1°	0.1°
H13	C19	H14	H15	119.9°	120.0°

Release date:	2021-06-16
Definition date:	2021-01-11
Last modified:	2021-06-11
Release status:	REL
Processing site:	PDBE
Derived from:	7BGV