TL8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C02	sing	1.47Å	1.52Å
C03	C02	doub	1.40Å	1.39Å	Aromatic
C03	C04	sing	1.36Å	1.38Å	Aromatic
C02	C18	sing	1.41Å	1.38Å	Aromatic
C04	C05	doub	1.39Å	1.39Å	Aromatic
C18	O19	sing	1.36Å	1.40Å
C18	C17	doub	1.38Å	1.39Å	Aromatic
O19	C20	sing	1.43Å	1.40Å
C05	C17	sing	1.39Å	1.39Å	Aromatic
C05	N06	sing	1.40Å	1.45Å
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
C07	C08	sing	1.48Å	1.52Å
C07	N14	doub	1.31Å	1.34Å	Aromatic
C15	N14	sing	1.34Å	1.32Å	Aromatic
C10	C11	sing	1.38Å	1.39Å	Aromatic
C08	C13	doub	1.40Å	1.39Å	Aromatic
C11	C12	doub	1.38Å	1.39Å	Aromatic
C13	C12	sing	1.38Å	1.39Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C13	H2	sing	1.08Å	1.08Å
C15	H3	sing	1.08Å	1.08Å
C17	H4	sing	1.08Å	1.08Å
C20	H5	sing	1.09Å	1.10Å
C20	H6	sing	1.09Å	1.10Å
C20	H7	sing	1.09Å	1.10Å
C01	H8	sing	1.08Å	1.08Å
C03	H11	sing	1.08Å	1.08Å
C04	H12	sing	1.08Å	1.08Å
C09	H13	sing	1.08Å	1.08Å
C11	H14	sing	1.08Å	1.08Å
C12	H15	sing	1.08Å	1.08Å
C16	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	C18	118.9°	120.2°
C02	C01	H8	117.0°	120.1°
C02	C01	O1	126.0°	120.0°
C02	C03	C04	119.6°	120.1°
C03	C02	C18	120.8°	119.7°
C02	C03	H11	120.2°	120.0°
C03	C04	C05	120.0°	120.4°
C04	C03	H11	120.2°	119.9°
C03	C04	H12	120.0°	119.8°
C02	C18	O19	118.2°	120.2°
C02	C18	C17	119.9°	119.6°
C04	C05	C17	120.4°	120.3°
C04	C05	N06	117.7°	119.8°
C05	C04	H12	120.0°	119.8°
O19	C18	C17	122.0°	120.2°
C18	O19	C20	115.4°	117.0°
C18	C17	C05	119.4°	120.0°
C18	C17	H4	120.3°	120.0°
O19	C20	H5	109.5°	109.5°
O19	C20	H6	109.5°	109.5°
O19	C20	H7	109.5°	109.5°
C17	C05	N06	121.9°	119.8°
C05	C17	H4	120.3°	120.1°
C05	N06	C16	123.0°	126.5°
C05	N06	C07	128.5°	126.6°
C16	N06	C07	108.5°	106.9°
N06	C16	C15	108.2°	107.0°
N06	C16	H16	125.9°	126.5°
N06	C07	C08	128.0°	125.9°
N06	C07	N14	107.6°	108.3°
C16	C15	N14	107.5°	108.5°
C16	C15	H3	126.3°	125.8°
C15	C16	H16	125.9°	126.5°
C10	C09	C08	120.1°	119.8°
C09	C10	C11	120.1°	120.2°
C09	C10	H1	119.9°	119.9°
C10	C09	H13	119.9°	120.1°
C09	C08	C07	120.2°	120.1°
C09	C08	C13	119.9°	119.7°
C08	C09	H13	120.0°	120.1°
C08	C07	N14	124.5°	125.8°
C07	C08	C13	119.9°	120.1°
C07	N14	C15	108.3°	109.3°
N14	C15	H3	126.3°	125.7°
C10	C11	C12	120.1°	120.3°
C11	C10	H1	119.9°	119.9°
C10	C11	H14	120.0°	119.9°
C08	C13	C12	120.2°	119.8°
C08	C13	H2	119.9°	120.1°
C11	C12	C13	119.6°	120.2°
C12	C11	H14	120.0°	119.9°
C11	C12	H15	120.2°	119.9°
C12	C13	H2	119.9°	120.1°
C13	C12	H15	120.2°	119.9°
H5	C20	H6	109.4°	109.4°
H5	C20	H7	109.5°	109.4°
H6	C20	H7	109.5°	109.4°
H8	C01	O1	117.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	C03	C18	179.8°	180.0°
C01	C02	C03	C04	179.7°	179.7°
C01	C02	C18	O19	0.2°	0.0°
C01	C02	C18	C17	180.0°	180.0°
C02	C01	H8	O1	180.0°	180.0°
C01	C02	C03	H11	0.3°	0.0°
C02	C03	C04	H11	180.0°	179.7°
C02	C03	C04	C05	0.5°	0.3°
C03	C02	C18	O19	180.0°	180.0°
C03	C02	C18	C17	0.2°	0.0°
C03	C02	C01	H8	166.3°	0.0°
C02	C03	C04	H12	179.5°	179.9°
C03	C02	C01	O1	13.7°	180.0°
C04	C03	C02	C18	0.4°	0.3°
C03	C04	C05	H12	180.0°	179.7°
C03	C04	C05	C17	0.3°	0.1°
C03	C04	C05	N06	179.3°	180.0°
C02	C18	O19	C17	179.8°	180.0°
C02	C18	O19	C20	174.9°	180.0°
C02	C18	C17	C05	0.0°	0.2°
C02	C18	C17	H4	180.0°	180.0°
C18	C02	C01	H8	13.5°	180.0°
C18	C02	C03	H11	179.6°	180.0°
C18	C02	C01	O1	166.5°	0.0°
C04	C05	C17	C18	0.1°	0.2°
C04	C05	C17	N06	179.6°	179.9°
C04	C05	N06	C16	48.9°	123.3°
C04	C05	N06	C07	130.0°	56.6°
C04	C05	C17	H4	179.9°	180.0°
C05	C04	C03	H11	179.5°	180.0°
O19	C18	C17	C05	179.8°	179.8°
O19	C18	C17	H4	0.2°	0.0°
C18	O19	C20	H5	180.0°	59.9°
C18	O19	C20	H6	60.0°	60.1°
C18	O19	C20	H7	60.0°	180.0°
C17	C18	O19	C20	5.3°	0.0°
C18	C17	C05	H4	180.0°	179.8°
C18	C17	C05	N06	179.5°	179.7°
O19	C20	H5	H6	120.0°	120.0°
O19	C20	H5	H7	120.0°	120.1°
O19	C20	H6	H7	120.0°	120.0°
C17	C05	N06	C16	130.8°	56.8°
C17	C05	N06	C07	50.4°	123.3°
C17	C05	C04	H12	179.7°	179.7°
C05	N06	C16	C07	179.0°	179.9°
C05	N06	C16	C15	179.5°	180.0°
C05	N06	C07	C08	1.4°	0.1°
C05	N06	C07	N14	179.5°	180.0°
N06	C05	C17	H4	0.5°	0.1°
N06	C05	C04	H12	0.7°	0.4°
C05	N06	C16	H16	0.5°	0.0°
N06	C16	C15	H16	180.0°	180.0°
C16	N06	C07	C08	179.6°	180.0°
C16	N06	C07	N14	0.5°	0.0°
N06	C16	C15	N14	0.3°	0.0°
N06	C16	C15	H3	179.7°	179.7°
C07	N06	C16	C15	0.5°	0.0°
N06	C07	C08	C09	65.0°	160.5°
N06	C07	C08	N14	178.9°	179.9°
N06	C07	N14	C15	0.3°	0.0°
N06	C07	C08	C13	116.0°	20.4°
C07	N06	C16	H16	179.5°	179.9°
C16	C15	N14	C07	0.0°	0.0°
C16	C15	N14	H3	180.0°	179.7°
C10	C09	C08	H13	180.0°	179.9°
C10	C09	C08	C07	179.8°	179.7°
C09	C10	C11	H1	180.0°	179.8°
C10	C09	C08	C13	0.8°	0.6°
C09	C10	C11	C12	0.1°	0.2°
C09	C10	C11	H14	180.0°	179.7°
C09	C08	C07	C13	179.0°	179.1°
C09	C08	C07	N14	116.1°	19.5°
C08	C09	C10	C11	0.4°	0.1°
C09	C08	C13	C12	0.8°	0.8°
C08	C09	C10	H1	179.7°	179.7°
C09	C08	C13	H2	179.2°	179.7°
C08	C07	N14	C15	179.4°	180.0°
C07	C08	C13	C12	179.8°	179.9°
C07	C08	C13	H2	0.2°	0.6°
C07	C08	C09	H13	0.2°	0.4°
N14	C07	C08	C13	62.9°	159.6°
C07	N14	C15	H3	179.9°	179.7°
N14	C15	C16	H16	179.7°	180.0°
C10	C11	C12	H14	180.0°	180.0°
C10	C11	C12	C13	0.0°	0.0°
C11	C10	C09	H13	179.6°	180.0°
C10	C11	C12	H15	180.0°	179.5°
C08	C13	C12	C11	0.4°	0.5°
C08	C13	C12	H2	180.0°	179.5°
C13	C08	C09	H13	179.2°	179.5°
C08	C13	C12	H15	179.6°	180.0°
C11	C12	C13	H15	180.0°	179.5°
C12	C11	C10	H1	179.9°	180.0°
C11	C12	C13	H2	179.6°	180.0°
C13	C12	C11	H14	180.0°	179.9°
H1	C10	C09	H13	0.3°	0.2°
H1	C10	C11	H14	0.1°	0.0°
H2	C13	C12	H15	0.4°	0.5°
H3	C15	C16	H16	0.3°	0.3°
H5	C20	H6	H7	120.0°	119.9°
H11	C03	C04	H12	0.5°	0.4°
H14	C11	C12	H15	0.0°	0.6°

Release date:	2021-06-16
Definition date:	2021-01-08
Last modified:	2021-06-11
Release status:	REL
Processing site:	PDBE
Derived from:	7BGQ