TWE

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	1.38Å	1.38Å	Aromatic
C02	C17	sing	1.40Å	1.38Å	Aromatic
C04	C05	doub	1.40Å	1.39Å	Aromatic
C17	C16	doub	1.38Å	1.38Å	Aromatic
N12	C11	trip	1.14Å	1.13Å
C05	C16	sing	1.39Å	1.39Å	Aromatic
C05	C06	sing	1.48Å	1.53Å
C13	C14	sing	1.53Å	1.52Å
C13	C10	sing	1.53Å	1.48Å
C11	C10	sing	1.47Å	1.52Å
C14	N07	sing	1.47Å	1.50Å
C06	N07	sing	1.35Å	1.46Å
C06	O15	doub	1.21Å	1.18Å
C10	C09	sing	1.53Å	1.48Å
N07	C08	sing	1.47Å	1.49Å
C09	C08	sing	1.53Å	1.52Å
C01	H1	sing	1.08Å	1.08Å
C03	H4	sing	1.08Å	1.08Å
C04	H5	sing	1.08Å	1.08Å
C08	H6	sing	1.09Å	1.10Å
C08	H7	sing	1.09Å	1.10Å
C09	H8	sing	1.09Å	1.10Å
C09	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C13	H11	sing	1.09Å	1.10Å
C13	H12	sing	1.09Å	1.10Å
C14	H13	sing	1.09Å	1.10Å
C14	H14	sing	1.09Å	1.10Å
C16	H15	sing	1.08Å	1.08Å
C17	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	121.1°	120.1°
C01	C02	C17	118.5°	120.0°
C02	C01	H1	126.4°	120.0°
C02	C01	O1	107.2°	120.0°
C02	C03	C04	120.4°	120.0°
C03	C02	C17	120.4°	119.9°
C02	C03	H4	119.8°	120.0°
C03	C04	C05	119.2°	120.0°
C04	C03	H4	119.8°	120.0°
C03	C04	H5	120.4°	120.0°
C02	C17	C16	119.4°	119.9°
C02	C17	H16	120.3°	120.0°
C04	C05	C16	120.2°	120.1°
C04	C05	C06	119.3°	120.0°
C05	C04	H5	120.4°	119.9°
C17	C16	C05	120.5°	120.0°
C17	C16	H15	119.8°	119.9°
C16	C17	H16	120.3°	120.0°
N12	C11	C10	179.5°	180.0°
C16	C05	C06	120.5°	119.9°
C05	C16	H15	119.8°	120.0°
C05	C06	N07	120.1°	120.0°
C05	C06	O15	120.0°	120.0°
C14	C13	C10	111.1°	109.3°
C13	C14	N07	111.2°	108.8°
C14	C13	H11	109.0°	109.5°
C14	C13	H12	109.1°	109.5°
C13	C14	H13	109.1°	109.6°
C13	C14	H14	109.1°	109.6°
C13	C10	C11	107.7°	109.4°
C13	C10	C09	113.3°	109.5°
C13	C10	H10	109.5°	109.5°
C10	C13	H11	109.1°	109.5°
C10	C13	H12	109.0°	109.5°
C11	C10	C09	108.0°	109.5°
C11	C10	H10	108.9°	109.5°
C14	N07	C06	126.8°	120.6°
C14	N07	C08	109.7°	118.6°
N07	C14	H13	109.0°	109.5°
N07	C14	H14	109.0°	109.6°
N07	C06	O15	119.9°	120.0°
C06	N07	C08	123.6°	120.8°
C10	C09	C08	112.8°	109.3°
C10	C09	H8	108.6°	109.5°
C10	C09	H9	108.6°	109.5°
C09	C10	H10	109.5°	109.4°
N07	C08	C09	109.4°	108.8°
N07	C08	H6	109.5°	109.6°
N07	C08	H7	109.5°	109.6°
C09	C08	H6	109.5°	109.6°
C09	C08	H7	109.5°	109.6°
C08	C09	H8	108.6°	109.5°
C08	C09	H9	108.7°	109.5°
H1	C01	O1	126.4°	120.0°
H6	C08	H7	109.5°	109.6°
H8	C09	H9	109.5°	109.4°
H11	C13	H12	109.5°	109.6°
H13	C14	H14	109.5°	109.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	C03	C17	179.1°	179.7°
C01	C02	C03	C04	179.9°	180.0°
C01	C02	C17	C16	179.5°	179.7°
C02	C01	H1	O1	180.0°	179.8°
C01	C02	C03	H4	0.1°	0.1°
C01	C02	C17	H16	0.5°	0.0°
C02	C03	C04	H4	180.0°	179.9°
C02	C03	C04	C05	0.5°	0.0°
C03	C02	C17	C16	0.4°	0.6°
C03	C02	C01	H1	141.3°	0.3°
C02	C03	C04	H5	179.5°	180.0°
C03	C02	C17	H16	179.6°	179.8°
C03	C02	C01	O1	38.7°	180.0°
C04	C03	C02	C17	0.8°	0.3°
C03	C04	C05	H5	180.0°	179.9°
C03	C04	C05	C16	0.1°	0.1°
C03	C04	C05	C06	179.7°	180.0°
C02	C17	C16	H16	180.0°	179.7°
C02	C17	C16	C05	0.2°	0.6°
C17	C02	C01	H1	37.8°	180.0°
C17	C02	C03	H4	179.2°	179.8°
C02	C17	C16	H15	179.7°	179.7°
C17	C02	C01	O1	142.2°	0.2°
C04	C05	C16	C17	0.5°	0.3°
C04	C05	C16	C06	179.8°	180.0°
C04	C05	C06	N07	128.2°	50.5°
C04	C05	C06	O15	51.4°	129.5°
C05	C04	C03	H4	179.5°	180.0°
C04	C05	C16	H15	179.5°	180.0°
C17	C16	C05	H15	180.0°	179.7°
C17	C16	C05	C06	179.3°	179.7°
N12	C11	C10	C13	7.9°	169.2°
N12	C11	C10	C09	114.7°	49.2°
N12	C11	C10	H10	126.5°	70.8°
C16	C05	C06	N07	51.6°	129.4°
C16	C05	C06	O15	128.8°	50.6°
C16	C05	C04	H5	179.9°	180.0°
C05	C16	C17	H16	179.8°	179.7°
C05	C06	N07	C14	0.3°	176.2°
C05	C06	N07	O15	179.7°	180.0°
C05	C06	N07	C08	179.5°	3.8°
C06	C05	C04	H5	0.3°	0.0°
C06	C05	C16	H15	0.7°	0.0°
C14	C13	C10	H11	120.2°	120.0°
C14	C13	C10	H12	120.3°	119.9°
C14	C13	C10	C11	170.0°	178.6°
C13	C14	N07	H13	120.3°	119.8°
C13	C14	N07	H14	120.3°	119.9°
C13	C14	N07	C06	119.6°	126.4°
C14	C13	C10	C09	50.7°	61.4°
C13	C14	N07	C08	59.7°	53.6°
C14	C13	C10	H10	71.8°	58.6°
C14	C13	H11	H12	119.3°	120.1°
C13	C14	H13	H14	119.2°	120.4°
C13	C10	C11	C09	122.6°	120.1°
C13	C10	C11	H10	118.6°	120.0°
C10	C13	C14	N07	54.7°	54.7°
C13	C10	C09	H10	122.5°	120.0°
C13	C10	C09	C08	51.8°	61.4°
C13	C10	C09	H8	172.3°	58.6°
C13	C10	C09	H9	68.7°	178.6°
C10	C13	H11	H12	119.2°	120.1°
C10	C13	C14	H13	175.0°	174.4°
C10	C13	C14	H14	65.5°	65.1°
C11	C10	C09	H10	118.4°	120.0°
C11	C10	C09	C08	170.9°	178.6°
C11	C10	C09	H8	68.6°	61.4°
C11	C10	C09	H9	50.4°	58.6°
C11	C10	C13	H11	69.8°	61.4°
C11	C10	C13	H12	49.7°	58.7°
C14	N07	C06	C08	179.2°	180.0°
C14	N07	C06	O15	179.3°	3.8°
C14	N07	C08	C09	58.9°	53.6°
C14	N07	C08	H6	178.9°	66.3°
C14	N07	C08	H7	61.1°	173.4°
N07	C14	C13	H11	175.0°	65.3°
N07	C14	C13	H12	65.5°	174.6°
N07	C14	H13	H14	119.2°	120.3°
C06	N07	C08	C09	120.4°	126.4°
C06	N07	C08	H6	0.4°	113.7°
C06	N07	C08	H7	119.6°	6.6°
C06	N07	C14	H13	0.7°	6.6°
C06	N07	C14	H14	120.1°	113.7°
O15	C06	N07	C08	0.2°	176.2°
C10	C09	C08	N07	55.5°	54.7°
C10	C09	C08	H8	120.5°	120.0°
C10	C09	C08	H9	120.5°	120.0°
C10	C09	C08	H6	175.4°	65.1°
C10	C09	C08	H7	64.5°	174.5°
C10	C09	H8	H9	118.5°	120.0°
C09	C10	C13	H11	170.9°	58.6°
C09	C10	C13	H12	69.6°	178.7°
N07	C08	C09	H6	120.0°	119.9°
N07	C08	C09	H7	120.0°	119.8°
N07	C08	H6	H7	120.0°	120.3°
N07	C08	C09	H8	176.0°	65.3°
N07	C08	C09	H9	65.0°	174.7°
C08	N07	C14	H13	179.9°	173.4°
C08	N07	C14	H14	60.6°	66.3°
C09	C08	H6	H7	120.1°	120.3°
C08	C09	H8	H9	118.5°	120.1°
C08	C09	C10	H10	70.6°	58.6°
H4	C03	C04	H5	0.5°	0.1°
H6	C08	C09	H8	64.1°	174.9°
H6	C08	C09	H9	54.9°	54.9°
H7	C08	C09	H8	56.0°	54.6°
H7	C08	C09	H9	175.0°	65.5°
H8	C09	C10	H10	49.8°	178.6°
H9	C09	C10	H10	168.8°	61.4°
H10	C10	C13	H11	48.4°	178.6°
H10	C10	C13	H12	167.9°	61.3°
H11	C13	C14	H13	64.8°	54.5°
H11	C13	C14	H14	54.7°	174.9°
H12	C13	C14	H13	54.7°	65.6°
H12	C13	C14	H14	174.2°	54.8°
H15	C16	C17	H16	0.3°	0.1°

Release date:	2021-06-16
Definition date:	2021-01-14
Last modified:	2021-06-11
Release status:	REL
Processing site:	PDBE
Derived from:	7BIY