TE8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C08	C09	doub	1.38Å	1.38Å	Aromatic
C08	C07	sing	1.39Å	1.38Å	Aromatic
C09	C10	sing	1.39Å	1.38Å	Aromatic
C14	C15	doub	1.38Å	1.39Å	Aromatic
C14	C13	sing	1.39Å	1.39Å	Aromatic
C15	C16	sing	1.38Å	1.39Å	Aromatic
O06	C07	sing	1.36Å	1.41Å
O06	C02	sing	1.43Å	1.41Å
C07	C12	doub	1.39Å	1.39Å	Aromatic
C10	C13	sing	1.48Å	1.39Å
C10	C11	doub	1.39Å	1.40Å	Aromatic
C13	C18	doub	1.39Å	1.39Å	Aromatic
O04	C03	doub	1.21Å	1.27Å
C16	C17	doub	1.38Å	1.39Å	Aromatic
C02	C03	sing	1.51Å	1.53Å
C02	C01	sing	1.53Å	1.52Å
C03	O05	sing	1.34Å	1.26Å
C18	C17	sing	1.38Å	1.39Å	Aromatic
C12	C11	sing	1.38Å	1.40Å	Aromatic
C15	H1	sing	1.08Å	1.08Å
C17	H2	sing	1.08Å	1.08Å
C01	H3	sing	1.09Å	1.10Å
C01	H4	sing	1.09Å	1.10Å
C01	H5	sing	1.09Å	1.10Å
C02	H6	sing	1.09Å	1.10Å
C08	H7	sing	1.08Å	1.08Å
C09	H8	sing	1.08Å	1.08Å
C11	H9	sing	1.08Å	1.08Å
C12	H10	sing	1.08Å	1.08Å
C14	H11	sing	1.08Å	1.08Å
C16	H12	sing	1.08Å	1.08Å
C18	H13	sing	1.08Å	1.08Å
O05	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C09	C08	C07	121.9°	120.0°
C08	C09	C10	119.9°	120.0°
C09	C08	H7	119.1°	120.0°
C08	C09	H8	120.1°	120.0°
C08	C07	O06	113.4°	119.9°
C08	C07	C12	119.1°	120.2°
C07	C08	H7	119.1°	119.9°
C09	C10	C13	117.6°	120.1°
C09	C10	C11	119.1°	119.8°
C10	C09	H8	120.0°	120.0°
C15	C14	C13	121.2°	119.8°
C14	C15	C16	118.9°	120.1°
C14	C15	H1	120.5°	119.9°
C15	C14	H11	119.4°	120.1°
C14	C13	C10	117.1°	120.1°
C14	C13	C18	119.4°	119.8°
C13	C14	H11	119.4°	120.1°
C15	C16	C17	120.3°	120.3°
C16	C15	H1	120.5°	120.0°
C15	C16	H12	119.8°	119.8°
C07	O06	C02	129.6°	117.0°
O06	C07	C12	127.6°	119.9°
O06	C02	C03	112.4°	109.4°
O06	C02	C01	114.2°	109.4°
O06	C02	H6	104.7°	109.4°
C07	C12	C11	119.1°	120.0°
C07	C12	H10	120.4°	120.0°
C13	C10	C11	123.2°	120.1°
C10	C13	C18	123.3°	120.1°
C10	C11	C12	121.0°	120.0°
C10	C11	H9	119.5°	120.0°
C13	C18	C17	119.7°	119.9°
C13	C18	H13	120.2°	120.1°
O04	C03	C02	119.7°	120.1°
O04	C03	O05	121.0°	120.0°
C16	C17	C18	120.4°	120.1°
C16	C17	H2	119.8°	119.9°
C17	C16	H12	119.8°	119.9°
C03	C02	C01	116.6°	109.5°
C02	C03	O05	119.1°	120.0°
C03	C02	H6	103.5°	109.5°
C02	C01	H3	109.5°	109.5°
C02	C01	H4	109.5°	109.5°
C02	C01	H5	109.4°	109.4°
C01	C02	H6	103.6°	109.5°
C03	O05	H14	109.5°	117.0°
C18	C17	H2	119.8°	120.0°
C17	C18	H13	120.2°	120.0°
C12	C11	H9	119.5°	120.0°
C11	C12	H10	120.5°	120.0°
H3	C01	H4	109.5°	109.5°
H3	C01	H5	109.5°	109.5°
H4	C01	H5	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C09	C08	C07	H7	180.0°	179.9°
C08	C09	C10	H8	180.0°	180.0°
C09	C08	C07	O06	179.7°	180.0°
C09	C08	C07	C12	0.4°	0.3°
C08	C09	C10	C13	177.2°	180.0°
C08	C09	C10	C11	0.7°	0.3°
C07	C08	C09	C10	0.2°	0.0°
C08	C07	O06	C12	179.2°	179.7°
C08	C07	O06	C02	176.1°	5.0°
C08	C07	C12	C11	0.4°	0.3°
C07	C08	C09	H8	179.8°	180.0°
C08	C07	C12	H10	179.6°	180.0°
C09	C10	C13	C14	34.7°	179.4°
C09	C10	C13	C11	176.3°	179.7°
C09	C10	C13	C18	149.9°	0.3°
C09	C10	C11	C12	1.5°	0.3°
C10	C09	C08	H7	179.8°	180.0°
C09	C10	C11	H9	178.5°	179.7°
C15	C14	C13	H11	180.0°	179.9°
C14	C15	C16	H1	180.0°	179.8°
C15	C14	C13	C10	177.9°	180.0°
C15	C14	C13	C18	2.3°	0.3°
C14	C15	C16	C17	0.4°	0.2°
C14	C15	C16	H12	179.6°	179.7°
C13	C14	C15	C16	0.8°	0.1°
C14	C13	C10	C18	175.4°	179.7°
C14	C13	C10	C11	141.6°	0.3°
C14	C13	C18	C17	2.5°	0.3°
C13	C14	C15	H1	179.2°	179.7°
C14	C13	C18	H13	177.4°	179.7°
C15	C16	C17	H12	180.0°	179.9°
C15	C16	C17	C18	0.0°	0.3°
C15	C16	C17	H2	180.0°	180.0°
C16	C15	C14	H11	179.2°	180.0°
C07	O06	C02	C03	68.4°	155.4°
C07	O06	C02	C01	67.2°	84.6°
O06	C07	C12	C11	178.8°	180.0°
C07	O06	C02	H6	179.9°	35.4°
O06	C07	C08	H7	0.4°	0.0°
O06	C07	C12	H10	1.2°	0.3°
C02	O06	C07	C12	4.7°	174.6°
O06	C02	C03	O04	2.2°	5.0°
O06	C02	C03	C01	134.5°	120.0°
O06	C02	C03	H6	112.4°	120.0°
O06	C02	C01	H6	113.3°	120.0°
O06	C02	C03	O05	173.7°	175.0°
O06	C02	C01	H3	180.0°	60.0°
O06	C02	C01	H4	60.0°	60.0°
O06	C02	C01	H5	60.0°	180.0°
C07	C12	C11	C10	1.3°	0.0°
C07	C12	C11	H10	180.0°	179.7°
C12	C07	C08	H7	179.6°	179.7°
C07	C12	C11	H9	178.7°	180.0°
C10	C13	C18	C17	177.9°	180.0°
C13	C10	C11	C12	177.8°	180.0°
C13	C10	C09	H8	2.8°	0.0°
C13	C10	C11	H9	2.2°	0.0°
C10	C13	C14	H11	2.2°	0.1°
C10	C13	C18	H13	2.1°	0.1°
C11	C10	C13	C18	33.8°	180.0°
C10	C11	C12	H9	180.0°	180.0°
C11	C10	C09	H8	179.3°	179.7°
C10	C11	C12	H10	178.7°	179.7°
C13	C18	C17	C16	1.4°	0.0°
C13	C18	C17	H13	180.0°	179.9°
C13	C18	C17	H2	178.5°	179.7°
C18	C13	C14	H11	177.8°	179.8°
O04	C03	C02	O05	175.8°	180.0°
O04	C03	C02	C01	132.4°	114.9°
O04	C03	C02	H6	114.6°	125.0°
O04	C03	O05	H14	0.0°	0.0°
C16	C17	C18	H2	180.0°	179.7°
C17	C16	C15	H1	179.6°	180.0°
C16	C17	C18	H13	178.6°	180.0°
C03	C02	C01	H6	113.0°	120.1°
C03	C02	C01	H3	46.2°	59.9°
C03	C02	C01	H4	73.8°	180.0°
C03	C02	C01	H5	166.3°	60.0°
C02	C03	O05	H14	175.8°	180.0°
C01	C02	C03	O05	51.8°	65.0°
C02	C01	H3	H4	120.0°	120.1°
C02	C01	H3	H5	120.0°	120.0°
C02	C01	H4	H5	120.0°	120.0°
O05	C03	C02	H6	61.2°	55.0°
C18	C17	C16	H12	180.0°	179.7°
H1	C15	C14	H11	0.8°	0.2°
H1	C15	C16	H12	0.4°	0.0°
H2	C17	C16	H12	0.0°	0.0°
H2	C17	C18	H13	1.5°	0.3°
H3	C01	H4	H5	120.0°	120.0°
H3	C01	C02	H6	66.7°	180.0°
H4	C01	C02	H6	173.3°	59.9°
H5	C01	C02	H6	53.3°	60.0°
H7	C08	C09	H8	0.2°	0.0°
H9	C11	C12	H10	1.3°	0.3°

Release date:	2022-01-12
Definition date:	2020-12-21
Last modified:	2022-01-07
Release status:	REL
Processing site:	PDBE
Derived from:	7BDD