HU9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C02	doub	1.39Å	1.41Å	Aromatic
C01	C06	sing	1.38Å	1.37Å	Aromatic
N19	C02	sing	1.37Å	1.34Å	Aromatic
N19	N18	sing	1.40Å	1.36Å	Aromatic
C02	C03	sing	1.41Å	1.37Å	Aromatic
C06	C05	doub	1.39Å	1.38Å	Aromatic
N18	C17	doub	1.30Å	1.32Å	Aromatic
C03	C17	sing	1.42Å	1.43Å	Aromatic
C03	C04	doub	1.41Å	1.41Å	Aromatic
C05	C04	sing	1.38Å	1.41Å	Aromatic
C05	BR7	sing	1.89Å	1.96Å
C04	N08	sing	1.39Å	1.46Å
N08	C09	sing	1.47Å	1.45Å
C09	C10	sing	1.53Å	1.51Å
C15	C10	sing	1.53Å	1.51Å
C15	C14	sing	1.53Å	1.52Å
C10	C11	sing	1.53Å	1.52Å
C14	C13	sing	1.53Å	1.52Å
C11	O16	sing	1.43Å	1.41Å
C11	C12	sing	1.53Å	1.51Å
C13	C12	sing	1.53Å	1.53Å
C10	H1	sing	1.09Å	1.10Å
C13	H2	sing	1.09Å	1.10Å
C13	H3	sing	1.09Å	1.10Å
C15	H4	sing	1.09Å	1.10Å
C15	H5	sing	1.09Å	1.10Å
C17	H6	sing	1.08Å	1.08Å
C01	H7	sing	1.08Å	1.08Å
C06	H8	sing	1.08Å	1.08Å
N08	H9	sing	1.01Å	1.00Å
C09	H10	sing	1.09Å	1.10Å
C09	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C14	H15	sing	1.09Å	1.10Å
C14	H16	sing	1.09Å	1.10Å
O16	H17	sing	0.97Å	0.95Å
N19	H18	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C02	C01	C06	118.6°	120.1°
C01	C02	N19	129.6°	133.7°
C01	C02	C03	122.6°	119.7°
C02	C01	H7	120.7°	119.9°
C01	C06	C05	120.6°	120.7°
C06	C01	H7	120.7°	120.0°
C01	C06	H8	119.7°	119.7°
C02	N19	N18	109.1°	108.1°
N19	C02	C03	107.9°	106.6°
C02	N19	H18	125.5°	125.9°
N19	N18	C17	109.6°	109.8°
N18	N19	H18	125.4°	126.0°
C02	C03	C17	106.7°	106.9°
C02	C03	C04	118.4°	119.5°
C06	C05	C04	120.6°	120.4°
C06	C05	BR7	114.4°	119.8°
C05	C06	H8	119.7°	119.7°
N18	C17	C03	106.8°	108.7°
N18	C17	H6	126.6°	125.7°
C17	C03	C04	134.9°	133.6°
C03	C17	H6	126.6°	125.6°
C03	C04	C05	119.2°	119.6°
C03	C04	N08	122.3°	120.2°
C04	C05	BR7	124.9°	119.8°
C05	C04	N08	118.5°	120.2°
C04	N08	C09	125.2°	111.0°
C04	N08	H9	105.4°	111.0°
N08	C09	C10	108.8°	109.5°
C09	N08	H9	105.4°	111.0°
N08	C09	H10	109.6°	109.4°
N08	C09	H11	109.6°	109.5°
C09	C10	C15	103.5°	109.4°
C09	C10	C11	105.5°	109.5°
C09	C10	H1	110.8°	109.5°
C10	C09	H10	109.6°	109.5°
C10	C09	H11	109.6°	109.5°
C10	C15	C14	108.9°	109.5°
C15	C10	C11	115.3°	109.5°
C15	C10	H1	110.8°	109.5°
C10	C15	H4	109.6°	109.5°
C10	C15	H5	109.6°	109.5°
C15	C14	C13	107.7°	109.4°
C14	C15	H4	109.6°	109.5°
C14	C15	H5	109.6°	109.5°
C15	C14	H15	109.9°	109.5°
C15	C14	H16	109.9°	109.4°
C10	C11	O16	109.2°	109.4°
C10	C11	C12	112.7°	109.5°
C11	C10	H1	110.6°	109.5°
C10	C11	H12	109.1°	109.5°
C14	C13	C12	111.0°	109.5°
C14	C13	H2	109.1°	109.4°
C14	C13	H3	109.1°	109.5°
C13	C14	H15	109.9°	109.5°
C13	C14	H16	109.9°	109.5°
O16	C11	C12	105.9°	109.5°
O16	C11	H12	110.7°	109.4°
C11	O16	H17	109.5°	114.0°
C11	C12	C13	110.5°	109.5°
C12	C11	H12	109.3°	109.5°
C11	C12	H13	109.2°	109.5°
C11	C12	H14	109.2°	109.5°
C12	C13	H2	109.1°	109.5°
C12	C13	H3	109.1°	109.5°
C13	C12	H13	109.2°	109.5°
C13	C12	H14	109.2°	109.4°
H2	C13	H3	109.5°	109.5°
H4	C15	H5	109.5°	109.5°
H10	C09	H11	109.5°	109.5°
H13	C12	H14	109.5°	109.4°
H15	C14	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C02	C01	C06	H7	180.0°	180.0°
C01	C02	N19	C03	179.2°	179.9°
C01	C02	N19	N18	179.9°	179.9°
C02	C01	C06	C05	0.3°	0.0°
C01	C02	C03	C17	179.8°	180.0°
C01	C02	C03	C04	1.1°	0.1°
C02	C01	C06	H8	179.7°	180.0°
C01	C02	N19	H18	0.1°	0.0°
C06	C01	C02	N19	178.0°	179.9°
C06	C01	C02	C03	1.2°	0.1°
C01	C06	C05	H8	180.0°	180.0°
C01	C06	C05	C04	0.5°	0.0°
C01	C06	C05	BR7	177.5°	180.0°
C02	N19	N18	H18	180.0°	179.9°
C02	N19	N18	C17	0.8°	0.2°
N19	C02	C03	C17	0.6°	0.1°
N19	C02	C03	C04	178.2°	179.9°
N19	C02	C01	H7	2.1°	0.1°
N18	N19	C02	C03	0.9°	0.0°
N19	N18	C17	C03	0.5°	0.2°
N19	N18	C17	H6	179.5°	180.0°
C02	C03	C17	N18	0.1°	0.2°
C02	C03	C17	C04	178.4°	179.9°
C02	C03	C04	C05	0.3°	0.1°
C02	C03	C04	N08	179.6°	180.0°
C02	C03	C17	H6	179.9°	179.9°
C03	C02	C01	H7	178.8°	179.9°
C03	C02	N19	H18	179.1°	180.0°
C06	C05	C04	C03	0.5°	0.0°
C06	C05	C04	BR7	176.7°	180.0°
C06	C05	C04	N08	179.6°	180.0°
C05	C06	C01	H7	179.7°	180.0°
N18	C17	C03	H6	180.0°	179.8°
N18	C17	C03	C04	178.4°	179.8°
C17	N18	N19	H18	179.1°	179.9°
C17	C03	C04	C05	178.5°	180.0°
C17	C03	C04	N08	1.3°	0.1°
C03	C04	C05	N08	179.9°	180.0°
C03	C04	C05	BR7	177.2°	180.0°
C03	C04	N08	C09	16.6°	83.7°
C04	C03	C17	H6	1.6°	0.0°
C03	C04	N08	H9	138.7°	40.3°
C05	C04	N08	C09	163.2°	96.2°
C04	C05	C06	H8	179.5°	180.0°
C05	C04	N08	H9	41.1°	139.8°
BR7	C05	C04	N08	2.9°	0.1°
BR7	C05	C06	H8	2.5°	0.0°
C04	N08	C09	H9	122.1°	124.0°
C04	N08	C09	C10	125.7°	174.7°
C04	N08	C09	H10	114.4°	65.3°
C04	N08	C09	H11	5.8°	54.7°
N08	C09	C10	H10	119.9°	120.0°
N08	C09	C10	H11	119.9°	120.0°
N08	C09	C10	C15	69.5°	65.0°
N08	C09	C10	C11	169.0°	175.0°
N08	C09	C10	H1	49.3°	54.9°
N08	C09	H10	H11	120.3°	120.0°
C09	C10	C15	C11	114.7°	120.0°
C09	C10	C15	H1	118.8°	120.0°
C09	C10	C15	C14	168.1°	180.0°
C09	C10	C11	H1	119.8°	120.0°
C09	C10	C11	O16	82.3°	60.0°
C09	C10	C11	C12	160.3°	180.0°
C09	C10	C15	H4	48.2°	60.0°
C09	C10	C15	H5	72.0°	60.0°
C10	C09	N08	H9	3.6°	61.3°
C10	C09	H10	H11	120.3°	120.0°
C09	C10	C11	H12	38.7°	60.0°
C10	C15	C14	H4	119.9°	120.0°
C10	C15	C14	H5	119.9°	120.0°
C15	C10	C11	H1	126.7°	120.0°
C10	C15	C14	C13	60.8°	60.0°
C15	C10	C11	O16	164.2°	180.0°
C15	C10	C11	C12	46.9°	60.0°
C10	C15	H4	H5	120.2°	120.0°
C15	C10	C09	H10	170.6°	55.0°
C15	C10	C09	H11	50.4°	175.0°
C15	C10	C11	H12	74.8°	60.0°
C10	C15	C14	H15	179.5°	60.0°
C10	C15	C14	H16	58.9°	180.0°
C14	C15	C10	C11	53.4°	60.0°
C15	C14	C13	H15	119.7°	120.0°
C15	C14	C13	H16	119.7°	119.9°
C15	C14	C13	C12	65.0°	60.0°
C14	C15	C10	H1	73.1°	60.0°
C15	C14	C13	H2	55.2°	180.0°
C15	C14	C13	H3	174.7°	60.0°
C14	C15	H4	H5	120.2°	120.0°
C15	C14	H15	H16	120.8°	120.0°
C10	C11	O16	C12	121.6°	120.0°
C10	C11	O16	H12	120.1°	120.0°
C10	C11	C12	H12	121.5°	120.0°
C10	C11	C12	C13	47.2°	60.0°
C11	C10	C15	H4	66.5°	60.0°
C11	C10	C15	H5	173.4°	180.0°
C11	C10	C09	H10	49.1°	65.0°
C11	C10	C09	H11	71.1°	55.0°
C10	C11	C12	H13	73.0°	180.0°
C10	C11	C12	H14	167.3°	60.0°
C10	C11	O16	H17	180.0°	180.0°
C14	C13	C12	C11	57.8°	60.0°
C14	C13	C12	H2	120.2°	120.0°
C14	C13	C12	H3	120.2°	120.0°
C14	C13	H2	H3	119.3°	120.0°
C13	C14	C15	H4	59.1°	60.0°
C13	C14	C15	H5	179.2°	180.0°
C14	C13	C12	H13	62.3°	179.9°
C14	C13	C12	H14	177.9°	60.0°
C13	C14	H15	H16	120.8°	120.1°
O16	C11	C12	H12	119.2°	120.0°
O16	C11	C12	C13	166.4°	180.0°
O16	C11	C10	H1	37.5°	60.1°
O16	C11	C12	H13	46.3°	60.0°
O16	C11	C12	H14	73.4°	60.0°
C11	C12	C13	H13	120.1°	120.1°
C11	C12	C13	H14	120.1°	120.0°
C12	C11	C10	H1	79.8°	60.0°
C11	C12	C13	H2	62.4°	180.0°
C11	C12	C13	H3	178.0°	60.0°
C11	C12	H13	H14	119.5°	120.0°
C12	C11	O16	H17	58.4°	59.9°
C12	C13	H2	H3	119.3°	120.0°
C13	C12	C11	H12	74.3°	60.1°
C13	C12	H13	H14	119.5°	119.9°
C12	C13	C14	H15	175.3°	60.0°
C12	C13	C14	H16	54.7°	180.0°
H1	C10	C15	H4	166.9°	180.0°
H1	C10	C15	H5	46.8°	60.0°
H1	C10	C09	H10	70.6°	175.0°
H1	C10	C09	H11	169.1°	65.0°
H1	C10	C11	H12	158.6°	180.0°
H2	C13	C12	H13	177.4°	59.9°
H2	C13	C12	H14	57.7°	60.0°
H2	C13	C14	H15	64.5°	60.0°
H2	C13	C14	H16	174.9°	60.0°
H3	C13	C12	H13	57.9°	60.1°
H3	C13	C12	H14	61.8°	180.0°
H3	C13	C14	H15	55.0°	180.0°
H3	C13	C14	H16	65.6°	59.9°
H4	C15	C14	H15	60.6°	180.0°
H4	C15	C14	H16	178.8°	60.0°
H5	C15	C14	H15	59.5°	60.0°
H5	C15	C14	H16	61.1°	60.0°
H7	C01	C06	H8	0.4°	0.0°
H9	N08	C09	H10	123.5°	58.7°
H9	N08	C09	H11	116.3°	178.7°
H12	C11	C12	H13	165.5°	60.0°
H12	C11	C12	H14	45.8°	180.0°
H12	C11	O16	H17	59.9°	60.1°

Release date:	2021-07-21
Definition date:	2021-02-01
Last modified:	2021-07-16
Release status:	REL
Processing site:	PDBJ
Derived from:	7E0T