H9J

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F81	C8	sing	1.40Å	1.32Å
O9	C9	sing	1.43Å	1.36Å
C8	C7	sing	1.51Å	1.52Å
C8	F82	sing	1.40Å	1.33Å
C8	F83	sing	1.40Å	1.33Å
O7	C7	doub	1.21Å	1.22Å
C1	C9	sing	1.53Å	1.49Å
C1	C2	sing	1.53Å	1.57Å
C7	N2	sing	1.35Å	1.36Å
C9	C5	sing	1.53Å	1.38Å
N2	C2	sing	1.46Å	1.40Å
O6	C6	sing	1.43Å	1.45Å
C2	C3	sing	1.53Å	1.45Å
C5	C6	sing	1.53Å	1.50Å
C5	C4	sing	1.53Å	1.40Å
C3	C4	sing	1.53Å	1.41Å
C3	O3	sing	1.43Å	1.38Å
C4	O4	sing	1.43Å	1.41Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
N2	HN2	sing	0.97Å	1.00Å
O3	HO3	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
O6	HO6	sing	0.97Å	0.95Å
O9	H02	sing	0.97Å	0.95Å
C1	O1	sing	1.43Å	1.41Å
O1	H6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F81	C8	C7	108.1°	109.4°
F81	C8	F82	108.2°	109.4°
F81	C8	F83	108.8°	109.5°
O9	C9	C1	108.9°	109.5°
O9	C9	C5	111.8°	109.5°
O9	C9	H7	109.0°	109.5°
C9	O9	H02	109.5°	114.0°
C7	C8	F82	112.7°	109.5°
C7	C8	F83	110.7°	109.5°
C8	C7	O7	115.5°	120.0°
C8	C7	N2	119.5°	120.0°
F82	C8	F83	108.3°	109.5°
O7	C7	N2	124.9°	120.0°
C9	C1	C2	106.5°	109.5°
C1	C9	C5	111.2°	109.4°
C9	C1	H1	109.9°	109.5°
C1	C9	H7	107.2°	109.5°
C9	C1	O1	107.1°	109.5°
C1	C2	N2	113.8°	109.5°
C1	C2	C3	109.1°	109.5°
C2	C1	H1	108.9°	109.5°
C1	C2	H2	104.0°	109.5°
C2	C1	O1	113.2°	109.5°
C7	N2	C2	127.7°	120.0°
C7	N2	HN2	116.2°	120.0°
C9	C5	C6	108.6°	109.5°
C9	C5	C4	114.6°	109.5°
C9	C5	H5	107.0°	109.5°
C5	C9	H7	108.7°	109.5°
N2	C2	C3	117.7°	109.5°
N2	C2	H2	105.7°	109.5°
C2	N2	HN2	116.1°	120.0°
O6	C6	C5	111.4°	109.5°
O6	C6	H62	109.0°	109.5°
O6	C6	H61	109.0°	109.4°
C6	O6	HO6	109.5°	114.0°
C2	C3	C4	110.9°	109.5°
C2	C3	O3	110.9°	109.5°
C3	C2	H2	105.1°	109.5°
C2	C3	H3	107.9°	109.5°
C6	C5	C4	113.5°	109.5°
C6	C5	H5	105.6°	109.5°
C5	C6	H62	109.0°	109.5°
C5	C6	H61	109.0°	109.4°
C5	C4	C3	114.7°	109.4°
C5	C4	O4	111.2°	109.5°
C5	C4	H4	108.1°	109.5°
C4	C5	H5	106.9°	109.5°
C4	C3	O3	109.9°	109.5°
C3	C4	O4	106.8°	109.4°
C4	C3	H3	108.4°	109.5°
C3	C4	H4	107.9°	109.5°
O3	C3	H3	108.8°	109.5°
C3	O3	HO3	109.5°	114.0°
O4	C4	H4	107.8°	109.5°
C4	O4	HO4	109.5°	114.0°
H1	C1	O1	111.2°	109.4°
H62	C6	H61	109.5°	109.5°
C1	O1	H6	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F81	C8	C7	F82	119.5°	119.9°
F81	C8	C7	F83	119.0°	120.0°
F81	C8	F82	F83	117.7°	120.1°
F81	C8	C7	O7	76.8°	120.0°
F81	C8	C7	N2	102.6°	60.1°
O9	C9	C1	C5	123.6°	120.0°
O9	C9	C1	H7	117.7°	120.0°
O9	C9	C1	C2	67.6°	60.0°
O9	C9	C5	H7	120.3°	120.0°
O9	C9	C5	C6	61.6°	60.0°
O9	C9	C5	C4	66.5°	60.0°
O9	C9	C1	H1	50.2°	60.0°
O9	C9	C5	H5	175.2°	180.0°
O9	C9	C1	O1	171.1°	180.0°
C7	C8	F82	F83	122.8°	120.0°
C8	C7	O7	N2	179.4°	179.9°
C8	C7	N2	C2	178.5°	179.9°
C8	C7	N2	HN2	1.5°	0.1°
F82	C8	C7	O7	163.6°	0.1°
F82	C8	C7	N2	17.0°	180.0°
F83	C8	C7	O7	42.2°	120.0°
F83	C8	C7	N2	138.4°	59.9°
O7	C7	N2	C2	0.8°	0.0°
O7	C7	N2	HN2	179.2°	180.0°
C9	C1	C2	H1	118.5°	120.0°
C9	C1	C2	O1	117.4°	120.0°
C1	C9	C5	H7	117.7°	120.0°
C9	C1	C2	N2	169.2°	180.0°
C9	C1	C2	C3	57.0°	60.1°
C1	C9	C5	C6	176.5°	180.0°
C1	C9	C5	C4	55.5°	60.0°
C9	C1	H1	O1	118.4°	120.0°
C9	C1	C2	H2	54.7°	60.0°
C1	C9	C5	H5	62.8°	60.0°
C1	C9	O9	H02	180.0°	60.1°
C9	C1	O1	H6	180.0°	60.0°
C1	C2	N2	C7	144.6°	155.0°
C2	C1	C9	C5	56.1°	60.0°
C1	C2	N2	C3	129.6°	120.0°
C1	C2	N2	H2	113.4°	120.0°
C1	C2	C3	H2	111.0°	120.0°
C1	C2	C3	C4	56.2°	60.0°
C1	C2	C3	O3	178.6°	180.0°
C2	C1	H1	O1	125.3°	120.0°
C1	C2	C3	H3	62.4°	60.0°
C2	C1	C9	H7	174.7°	180.0°
C1	C2	N2	HN2	35.4°	25.0°
C2	C1	O1	H6	62.9°	180.0°
C7	N2	C2	HN2	180.0°	180.0°
C7	N2	C2	C3	85.8°	85.0°
C7	N2	C2	H2	31.2°	35.0°
C9	C5	C6	O6	53.2°	65.0°
C9	C5	C6	C4	128.7°	120.0°
C9	C5	C6	H5	114.5°	120.0°
C9	C5	C4	H5	118.4°	120.0°
C9	C5	C4	C3	53.9°	60.0°
C9	C5	C4	O4	175.3°	180.0°
C5	C9	C1	H1	173.9°	180.0°
C9	C5	C4	H4	66.5°	60.0°
C9	C5	C6	H62	173.5°	175.0°
C9	C5	C6	H61	67.1°	55.0°
C5	C9	O9	H02	56.7°	180.0°
C5	C9	C1	O1	65.3°	60.0°
N2	C2	C3	H2	117.3°	120.0°
N2	C2	C3	C4	172.1°	180.0°
N2	C2	C3	O3	49.7°	60.0°
N2	C2	C1	H1	50.7°	60.0°
N2	C2	C3	H3	69.3°	60.0°
N2	C2	C1	O1	73.4°	60.0°
O6	C6	C5	H62	120.3°	120.1°
O6	C6	C5	H61	120.3°	119.9°
O6	C6	C5	C4	75.6°	175.0°
O6	C6	C5	H5	167.7°	55.0°
O6	C6	H62	H61	119.1°	120.0°
C2	C3	C4	C5	54.1°	60.0°
C2	C3	C4	O3	122.9°	120.0°
C2	C3	C4	H3	118.3°	120.1°
C2	C3	O3	H3	118.5°	120.0°
C2	C3	C4	O4	177.9°	180.0°
C3	C2	C1	H1	175.5°	179.9°
C2	C3	C4	H4	66.4°	60.0°
C3	C2	N2	HN2	94.2°	95.0°
C2	C3	O3	HO3	180.0°	180.0°
C3	C2	C1	O1	60.4°	60.0°
C6	C5	C4	H5	116.0°	120.0°
C6	C5	C4	C3	179.5°	180.0°
C6	C5	C4	O4	59.1°	60.0°
C6	C5	C4	H4	59.1°	60.0°
C5	C6	H62	H61	119.1°	120.0°
C6	C5	C9	H7	58.7°	60.0°
C5	C6	O6	HO6	180.0°	180.0°
C5	C4	C3	O4	123.7°	120.0°
C5	C4	C3	H4	120.5°	120.0°
C5	C4	C3	O3	177.1°	180.0°
C5	C4	O4	H4	118.3°	120.0°
C5	C4	C3	H3	64.1°	60.0°
C4	C5	C6	H62	44.7°	55.0°
C4	C5	C6	H61	164.1°	65.0°
C4	C5	C9	H7	173.2°	180.0°
C5	C4	O4	HO4	180.0°	180.0°
C4	C3	O3	H3	118.6°	120.0°
C3	C4	O4	H4	115.8°	120.0°
C4	C3	C2	H2	54.8°	60.0°
C3	C4	C5	H5	64.5°	60.0°
C4	C3	O3	HO3	57.1°	60.0°
C3	C4	O4	HO4	54.1°	60.1°
O3	C3	C4	O4	59.2°	60.0°
O3	C3	C2	H2	67.6°	60.0°
O3	C3	C4	H4	56.5°	60.0°
O4	C4	C3	H3	59.6°	59.9°
O4	C4	C5	H5	56.9°	60.0°
H1	C1	C2	H2	63.7°	60.0°
H1	C1	C9	H7	67.5°	60.0°
H1	C1	O1	H6	60.0°	60.1°
H2	C2	C3	H3	173.4°	180.0°
H2	C2	N2	HN2	148.8°	145.0°
H2	C2	C1	O1	172.1°	180.0°
H3	C3	C4	H4	175.3°	179.9°
H3	C3	O3	HO3	61.5°	60.0°
H4	C4	C5	H5	175.1°	180.0°
H4	C4	O4	HO4	61.7°	60.0°
H5	C5	C6	H62	72.0°	65.0°
H5	C5	C6	H61	47.4°	175.0°
H5	C5	C9	H7	54.9°	60.0°
H62	C6	O6	HO6	59.7°	59.9°
H61	C6	O6	HO6	59.7°	60.0°
H7	C9	O9	H02	63.4°	59.9°
H7	C9	C1	O1	53.4°	60.0°

Release date:	2019-04-24
Definition date:	2018-06-18
Last modified:	2019-04-19
Release status:	REL
Processing site:	RCSB
Derived from:	6DTE