U5T

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C18	N16	sing	1.47Å	1.45Å
C17	N16	sing	1.34Å	1.32Å	Aromatic
C17	C13	doub	1.39Å	1.39Å	Aromatic
N16	N15	sing	1.40Å	1.36Å	Aromatic
C03	C04	doub	1.38Å	1.39Å	Aromatic
C03	C02	sing	1.38Å	1.39Å	Aromatic
C04	C05	sing	1.40Å	1.39Å	Aromatic
C12	C13	sing	1.46Å	1.54Å
C12	C11	doub	1.38Å	1.32Å
N10	C11	sing	1.37Å	1.42Å
N10	C09	doub	1.30Å	1.46Å
C01	C02	sing	1.51Å	1.53Å
C13	C14	sing	1.42Å	1.39Å	Aromatic
C02	C07	doub	1.38Å	1.38Å	Aromatic
C11	C19	sing	1.47Å	1.49Å
C05	C09	sing	1.48Å	1.53Å
C05	C06	doub	1.40Å	1.39Å	Aromatic
C09	O21	sing	1.35Å	1.44Å
N15	C14	doub	1.30Å	1.32Å	Aromatic
C07	C06	sing	1.38Å	1.39Å	Aromatic
C07	C08	sing	1.51Å	1.53Å
C19	O21	sing	1.35Å	1.42Å
C19	O20	doub	1.22Å	1.18Å
C17	H1	sing	1.08Å	1.08Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C01	H4	sing	1.09Å	1.10Å
C03	H5	sing	1.08Å	1.08Å
C04	H6	sing	1.08Å	1.08Å
C06	H7	sing	1.08Å	1.08Å
C08	H8	sing	1.09Å	1.10Å
C08	H9	sing	1.09Å	1.10Å
C08	H10	sing	1.09Å	1.10Å
C12	H12	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
C18	H15	sing	1.09Å	1.10Å
C18	H16	sing	1.09Å	1.10Å
C18	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C18	N16	C17	125.4°	125.7°
C18	N16	N15	126.1°	125.7°
N16	C18	H15	109.5°	109.5°
N16	C18	H16	109.5°	109.5°
N16	C18	H17	109.5°	109.5°
N16	C17	C13	108.6°	107.3°
C17	N16	N15	108.5°	108.6°
N16	C17	H1	125.7°	126.4°
C17	C13	C12	125.2°	126.5°
C17	C13	C14	105.7°	107.0°
C13	C17	H1	125.7°	126.3°
N16	N15	C14	109.1°	109.1°
C04	C03	C02	120.0°	120.2°
C03	C04	C05	120.0°	119.9°
C04	C03	H5	120.0°	120.0°
C03	C04	H6	120.0°	120.1°
C03	C02	C01	120.1°	119.8°
C03	C02	C07	120.0°	120.3°
C02	C03	H5	120.0°	119.9°
C04	C05	C09	120.9°	120.2°
C04	C05	C06	119.9°	119.7°
C05	C04	H6	120.0°	120.0°
C13	C12	C11	128.4°	120.0°
C12	C13	C14	129.1°	126.5°
C13	C12	H12	115.8°	120.0°
C12	C11	N10	124.3°	127.3°
C12	C11	C19	128.6°	127.3°
C11	C12	H12	115.8°	120.0°
C11	N10	C09	108.6°	109.1°
N10	C11	C19	107.1°	105.4°
N10	C09	C05	127.6°	124.3°
N10	C09	O21	107.7°	111.5°
C01	C02	C07	119.9°	119.9°
C02	C01	H2	109.5°	109.5°
C02	C01	H3	109.4°	109.5°
C02	C01	H4	109.5°	109.4°
C13	C14	N15	108.1°	108.0°
C13	C14	H14	125.9°	126.0°
C02	C07	C06	120.1°	120.2°
C02	C07	C08	120.0°	119.9°
C11	C19	O21	108.1°	105.3°
C11	C19	O20	127.0°	127.4°
C09	C05	C06	119.2°	120.1°
C05	C09	O21	124.7°	124.3°
C05	C06	C07	120.0°	119.9°
C05	C06	H7	120.0°	120.1°
C09	O21	C19	108.6°	108.7°
N15	C14	H14	126.0°	126.0°
C06	C07	C08	119.9°	120.0°
C07	C06	H7	120.0°	120.0°
C07	C08	H8	109.5°	109.5°
C07	C08	H9	109.4°	109.4°
C07	C08	H10	109.5°	109.5°
O21	C19	O20	124.9°	127.4°
H2	C01	H3	109.5°	109.5°
H2	C01	H4	109.5°	109.5°
H3	C01	H4	109.5°	109.5°
H8	C08	H9	109.5°	109.5°
H8	C08	H10	109.5°	109.5°
H9	C08	H10	109.5°	109.5°
H15	C18	H16	109.5°	109.5°
H15	C18	H17	109.5°	109.5°
H16	C18	H17	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C18	N16	C17	N15	179.9°	180.0°
C18	N16	C17	C13	179.7°	180.0°
C18	N16	N15	C14	179.8°	180.0°
C18	N16	C17	H1	0.3°	0.1°
N16	C18	H15	H16	120.0°	120.0°
N16	C18	H15	H17	120.0°	120.0°
N16	C18	H16	H17	120.0°	120.0°
N16	C17	C13	H1	180.0°	180.0°
N16	C17	C13	C12	179.2°	179.7°
N16	C17	C13	C14	0.6°	0.0°
C17	N16	N15	C14	0.3°	0.0°
C17	N16	C18	H15	179.9°	90.0°
C17	N16	C18	H16	59.9°	150.0°
C17	N16	C18	H17	60.1°	30.0°
C13	C17	N16	N15	0.2°	0.0°
C17	C13	C12	C14	178.2°	179.7°
C17	C13	C12	C11	146.2°	32.8°
C17	C13	C14	N15	0.8°	0.0°
C17	C13	C12	H12	33.8°	147.2°
C17	C13	C14	H14	179.3°	180.0°
N16	N15	C14	C13	0.7°	0.0°
N15	N16	C17	H1	179.8°	179.9°
N16	N15	C14	H14	179.4°	180.0°
N15	N16	C18	H15	0.0°	90.0°
N15	N16	C18	H16	120.0°	30.0°
N15	N16	C18	H17	120.0°	150.0°
C04	C03	C02	H5	180.0°	179.9°
C03	C04	C05	H6	180.0°	179.9°
C04	C03	C02	C01	180.0°	180.0°
C04	C03	C02	C07	0.0°	0.3°
C03	C04	C05	C09	178.8°	180.0°
C03	C04	C05	C06	1.2°	0.1°
C02	C03	C04	C05	0.6°	0.1°
C03	C02	C01	C07	179.9°	179.7°
C03	C02	C07	C06	0.1°	0.6°
C03	C02	C07	C08	180.0°	179.8°
C03	C02	C01	H2	90.0°	89.7°
C03	C02	C01	H3	150.0°	30.3°
C03	C02	C01	H4	30.1°	150.3°
C02	C03	C04	H6	179.4°	180.0°
C04	C05	C09	N10	6.7°	0.3°
C04	C05	C09	C06	177.7°	179.9°
C04	C05	C09	O21	171.1°	180.0°
C04	C05	C06	C07	1.1°	0.3°
C05	C04	C03	H5	179.4°	180.0°
C04	C05	C06	H7	178.9°	179.9°
C13	C12	C11	H12	180.0°	180.0°
C13	C12	C11	N10	173.4°	172.0°
C13	C12	C11	C19	6.2°	8.0°
C12	C13	C14	N15	179.2°	179.7°
C12	C13	C17	H1	0.8°	0.2°
C12	C13	C14	H14	0.8°	0.3°
C12	C11	N10	C19	179.7°	180.0°
C12	C11	N10	C09	179.9°	179.8°
C11	C12	C13	C14	35.6°	147.6°
C12	C11	C19	O21	179.7°	180.0°
C12	C11	C19	O20	0.1°	0.0°
C11	N10	C09	C05	178.7°	179.9°
C11	N10	C09	O21	0.6°	0.2°
N10	C11	C19	O21	0.0°	0.0°
N10	C11	C19	O20	179.8°	179.9°
N10	C11	C12	H12	6.6°	8.0°
C09	N10	C11	C19	0.4°	0.1°
N10	C09	C05	O21	177.8°	179.6°
N10	C09	C05	C06	175.6°	179.7°
N10	C09	O21	C19	0.6°	0.2°
C01	C02	C07	C06	179.9°	179.7°
C01	C02	C07	C08	0.0°	0.1°
C02	C01	H2	H3	120.0°	120.0°
C02	C01	H2	H4	120.0°	120.0°
C02	C01	H3	H4	120.0°	120.0°
C01	C02	C03	H5	0.0°	0.0°
C13	C14	N15	H14	180.0°	180.0°
C14	C13	C17	H1	179.4°	179.9°
C14	C13	C12	H12	144.4°	32.5°
C02	C07	C06	C05	0.4°	0.6°
C02	C07	C06	C08	179.9°	179.7°
C07	C02	C01	H2	90.0°	90.0°
C07	C02	C01	H3	30.1°	150.0°
C07	C02	C01	H4	150.0°	30.0°
C07	C02	C03	H5	180.0°	179.7°
C02	C07	C06	H7	179.6°	179.7°
C02	C07	C08	H8	90.0°	90.0°
C02	C07	C08	H9	150.0°	150.0°
C02	C07	C08	H10	29.9°	30.0°
C11	C19	O21	C09	0.4°	0.1°
C11	C19	O21	O20	179.8°	179.9°
C19	C11	C12	H12	173.8°	172.0°
C09	C05	C06	C07	178.8°	179.8°
C05	C09	O21	C19	178.8°	179.9°
C09	C05	C04	H6	1.2°	0.1°
C09	C05	C06	H7	1.2°	0.0°
C06	C05	C09	O21	6.6°	0.1°
C05	C06	C07	H7	180.0°	179.8°
C05	C06	C07	C08	179.5°	179.8°
C06	C05	C04	H6	178.8°	180.0°
C09	O21	C19	O20	179.8°	179.8°
C06	C07	C08	H8	90.0°	89.7°
C06	C07	C08	H9	30.0°	30.3°
C06	C07	C08	H10	150.0°	150.3°
C08	C07	C06	H7	0.5°	0.0°
C07	C08	H8	H9	120.0°	119.9°
C07	C08	H8	H10	120.0°	120.0°
C07	C08	H9	H10	120.0°	120.0°
H2	C01	H3	H4	120.0°	120.0°
H5	C03	C04	H6	0.6°	0.0°
H8	C08	H9	H10	120.0°	120.1°
H15	C18	H16	H17	120.0°	120.0°

Release date:	2022-03-02
Definition date:	2021-01-22
Last modified:	2022-02-25
Release status:	REL
Processing site:	PDBE
Derived from:	7BNL