UQN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C20	N19	sing	1.34Å	1.32Å	Aromatic
C20	C21	doub	1.35Å	1.36Å	Aromatic
N19	C11	doub	1.31Å	1.34Å	Aromatic
C21	N10	sing	1.37Å	1.31Å	Aromatic
C11	N10	sing	1.37Å	1.34Å	Aromatic
C11	C12	sing	1.48Å	1.53Å
N10	C09	sing	1.40Å	1.45Å
BR2	C13	sing	1.89Å	1.95Å
C12	C13	doub	1.40Å	1.39Å	Aromatic
C12	C18	sing	1.40Å	1.39Å	Aromatic
C13	C15	sing	1.38Å	1.39Å	Aromatic
C18	C17	doub	1.38Å	1.38Å	Aromatic
C08	C09	doub	1.39Å	1.39Å	Aromatic
C08	C06	sing	1.38Å	1.38Å	Aromatic
C09	C05	sing	1.39Å	1.39Å	Aromatic
C15	C16	doub	1.38Å	1.39Å	Aromatic
C17	C16	sing	1.38Å	1.38Å	Aromatic
BR1	C06	sing	1.89Å	1.94Å
C06	C03	doub	1.38Å	1.39Å	Aromatic
C05	C04	doub	1.38Å	1.39Å	Aromatic
C03	C04	sing	1.38Å	1.39Å	Aromatic
C03	C02	sing	1.51Å	1.53Å
C17	H1	sing	1.08Å	1.08Å
C16	H2	sing	1.08Å	1.08Å
C15	H3	sing	1.08Å	1.08Å
C02	H4	sing	1.09Å	1.10Å
C02	H5	sing	1.09Å	1.10Å
C02	H6	sing	1.09Å	1.10Å
C04	H7	sing	1.08Å	1.08Å
C05	H8	sing	1.08Å	1.08Å
C08	H9	sing	1.08Å	1.08Å
C18	H10	sing	1.08Å	1.08Å
C20	H11	sing	1.08Å	1.08Å
C21	H12	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N19	C20	C21	107.9°	108.4°
C20	N19	C11	107.9°	109.3°
N19	C20	H11	126.1°	125.8°
C20	C21	N10	107.7°	107.0°
C21	C20	H11	126.1°	125.7°
C20	C21	H12	126.1°	126.5°
N19	C11	N10	107.8°	108.3°
N19	C11	C12	126.7°	125.8°
C21	N10	C11	108.8°	106.9°
C21	N10	C09	125.9°	126.5°
N10	C21	H12	126.2°	126.5°
N10	C11	C12	125.5°	125.9°
C11	N10	C09	125.4°	126.6°
C11	C12	C13	120.2°	120.2°
C11	C12	C18	119.7°	120.1°
N10	C09	C08	119.4°	120.1°
N10	C09	C05	120.4°	120.0°
BR2	C13	C12	121.3°	120.0°
BR2	C13	C15	119.7°	120.1°
C13	C12	C18	120.1°	119.7°
C12	C13	C15	119.0°	119.9°
C12	C18	C17	120.5°	119.8°
C12	C18	H10	119.7°	120.1°
C13	C15	C16	121.0°	120.1°
C13	C15	H3	119.5°	120.0°
C18	C17	C16	119.6°	120.2°
C18	C17	H1	120.2°	119.9°
C17	C18	H10	119.8°	120.1°
C09	C08	C06	120.1°	119.9°
C08	C09	C05	120.1°	119.9°
C09	C08	H9	119.9°	120.0°
C08	C06	BR1	120.0°	120.0°
C08	C06	C03	119.7°	120.1°
C06	C08	H9	120.0°	120.1°
C09	C05	C04	119.9°	119.9°
C09	C05	H8	120.0°	120.1°
C15	C16	C17	119.9°	120.3°
C15	C16	H2	120.1°	119.8°
C16	C15	H3	119.5°	119.9°
C16	C17	H1	120.2°	119.9°
C17	C16	H2	120.0°	119.9°
BR1	C06	C03	120.3°	120.0°
C06	C03	C04	120.3°	120.1°
C06	C03	C02	119.4°	119.9°
C05	C04	C03	119.8°	120.1°
C05	C04	H7	120.1°	120.0°
C04	C05	H8	120.1°	120.0°
C04	C03	C02	120.3°	120.0°
C03	C04	H7	120.1°	119.9°
C03	C02	H4	109.5°	109.5°
C03	C02	H5	109.5°	109.5°
C03	C02	H6	109.5°	109.4°
H4	C02	H5	109.4°	109.4°
H4	C02	H6	109.5°	109.4°
H5	C02	H6	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N19	C20	C21	H11	180.0°	180.0°
N19	C20	C21	N10	0.2°	0.1°
C20	N19	C11	N10	0.2°	0.0°
C20	N19	C11	C12	179.8°	180.0°
N19	C20	C21	H12	179.8°	180.0°
C21	C20	N19	C11	0.0°	0.0°
C20	C21	N10	H12	180.0°	179.9°
C20	C21	N10	C11	0.3°	0.1°
C20	C21	N10	C09	179.9°	180.0°
N19	C11	N10	C21	0.3°	0.0°
N19	C11	N10	C12	179.6°	180.0°
N19	C11	N10	C09	179.9°	180.0°
N19	C11	C12	C13	56.8°	48.1°
N19	C11	C12	C18	123.6°	132.1°
C11	N19	C20	H11	180.0°	180.0°
C21	N10	C11	C09	179.6°	179.9°
C21	N10	C11	C12	179.9°	180.0°
C21	N10	C09	C08	86.4°	55.8°
C21	N10	C09	C05	94.0°	123.4°
N10	C21	C20	H11	179.8°	180.0°
N10	C11	C12	C13	122.7°	131.9°
N10	C11	C12	C18	56.8°	47.8°
C11	N10	C09	C08	93.1°	124.3°
C11	N10	C09	C05	86.4°	56.5°
C11	N10	C21	H12	179.8°	180.0°
C12	C11	N10	C09	0.5°	0.1°
C11	C12	C13	BR2	0.5°	0.2°
C11	C12	C13	C18	179.5°	179.8°
C11	C12	C13	C15	179.8°	180.0°
C11	C12	C18	C17	179.6°	179.7°
C11	C12	C18	H10	0.4°	0.3°
N10	C09	C08	C05	179.6°	179.2°
N10	C09	C08	C06	179.8°	180.0°
N10	C09	C05	C04	180.0°	179.8°
N10	C09	C05	H8	0.0°	0.2°
N10	C09	C08	H9	0.2°	0.7°
C09	N10	C21	H12	0.1°	0.1°
BR2	C13	C12	C15	179.8°	179.8°
BR2	C13	C12	C18	180.0°	180.0°
BR2	C13	C15	C16	180.0°	179.7°
BR2	C13	C15	H3	0.0°	0.2°
C13	C12	C18	C17	0.1°	0.5°
C12	C13	C15	C16	0.2°	0.1°
C12	C13	C15	H3	179.8°	180.0°
C13	C12	C18	H10	179.9°	179.9°
C18	C12	C13	C15	0.2°	0.2°
C12	C18	C17	H10	180.0°	179.4°
C12	C18	C17	C16	0.0°	0.6°
C12	C18	C17	H1	180.0°	179.7°
C13	C15	C16	H3	180.0°	179.9°
C13	C15	C16	C17	0.1°	0.0°
C13	C15	C16	H2	179.9°	179.9°
C18	C17	C16	C15	0.0°	0.3°
C18	C17	C16	H1	180.0°	179.7°
C18	C17	C16	H2	180.0°	179.8°
C09	C08	C06	H9	180.0°	179.2°
C09	C08	C06	BR1	179.9°	179.5°
C09	C08	C06	C03	0.0°	0.6°
C08	C09	C05	C04	0.4°	0.5°
C08	C09	C05	H8	179.6°	179.4°
C06	C08	C09	C05	0.2°	0.8°
C08	C06	BR1	C03	179.9°	180.0°
C08	C06	C03	C04	0.1°	0.0°
C08	C06	C03	C02	179.9°	179.7°
C09	C05	C04	H8	180.0°	180.0°
C09	C05	C04	C03	0.4°	0.0°
C09	C05	C04	H7	179.6°	180.0°
C05	C09	C08	H9	179.7°	180.0°
C15	C16	C17	H2	180.0°	179.9°
C15	C16	C17	H1	180.0°	180.0°
C17	C16	C15	H3	179.9°	179.9°
C16	C17	C18	H10	180.0°	180.0°
BR1	C06	C03	C04	180.0°	180.0°
BR1	C06	C03	C02	0.0°	0.2°
BR1	C06	C08	H9	0.1°	0.3°
C06	C03	C04	C05	0.1°	0.2°
C06	C03	C04	C02	180.0°	179.8°
C06	C03	C02	H4	90.0°	90.3°
C06	C03	C02	H5	150.0°	29.7°
C06	C03	C02	H6	30.0°	149.7°
C06	C03	C04	H7	179.9°	179.8°
C03	C06	C08	H9	180.0°	179.8°
C05	C04	C03	H7	180.0°	180.0°
C05	C04	C03	C02	179.9°	180.0°
C04	C03	C02	H4	90.0°	89.9°
C04	C03	C02	H5	30.0°	150.0°
C04	C03	C02	H6	150.0°	30.0°
C03	C04	C05	H8	179.6°	180.0°
C03	C02	H4	H5	120.0°	120.0°
C03	C02	H4	H6	120.0°	120.0°
C03	C02	H5	H6	120.0°	120.0°
C02	C03	C04	H7	0.0°	0.0°
H1	C17	C16	H2	0.0°	0.1°
H1	C17	C18	H10	0.0°	0.3°
H2	C16	C15	H3	0.1°	0.0°
H4	C02	H5	H6	120.0°	120.0°
H7	C04	C05	H8	0.4°	0.0°
H11	C20	C21	H12	0.2°	0.1°

Release date:	2021-06-16
Definition date:	2021-03-09
Last modified:	2021-06-11
Release status:	REL
Processing site:	PDBE
Derived from:	7NSV