DK4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C1	sing	1.53Å	1.54Å
C1	O5	sing	1.43Å	1.43Å
C1	N1	sing	1.46Å	1.48Å
C1	H1	sing	1.09Å	1.10Å
C7	N1	sing	1.37Å	1.41Å
N1	C10	sing	1.35Å	1.41Å
C3	C2	sing	1.53Å	1.54Å
O2	C2	sing	1.43Å	1.43Å
C2	H2	sing	1.09Å	1.10Å
C10	N2	sing	1.35Å	1.40Å
C9	N2	sing	1.35Å	1.40Å
N2	HN2	sing	0.97Å	1.00Å
O2	HO2	sing	0.97Å	0.95Å
F3	C3	sing	1.40Å	1.38Å
C3	C4	sing	1.53Å	1.55Å
C3	H3	sing	1.09Å	1.10Å
O4	C4	sing	1.43Å	1.42Å
C4	C5	sing	1.53Å	1.55Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C5	C6	sing	1.53Å	1.52Å
C5	O5	sing	1.43Å	1.44Å
C5	H5	sing	1.09Å	1.10Å
O6	C6	sing	1.43Å	1.43Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å
C7	C8	doub	1.35Å	1.39Å
C7	H7	sing	1.08Å	1.08Å
F8	C8	sing	1.35Å	1.34Å
C8	C9	sing	1.42Å	1.40Å
C9	O9	doub	1.22Å	1.23Å
C10	O10	doub	1.22Å	1.23Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O5	108.2°	109.4°
C2	C1	N1	115.0°	109.5°
C2	C1	H1	105.9°	109.4°
C1	C2	C3	110.5°	109.2°
C1	C2	O2	110.3°	109.6°
C1	C2	H2	108.6°	109.5°
O5	C1	N1	107.2°	109.5°
O5	C1	H1	113.9°	109.5°
C1	O5	C5	107.7°	114.1°
N1	C1	H1	106.9°	109.5°
C1	N1	C7	120.6°	119.7°
C1	N1	C10	119.4°	119.8°
C7	N1	C10	120.0°	120.5°
N1	C7	C8	120.0°	119.7°
N1	C7	H7	120.0°	120.1°
N1	C10	N2	119.4°	121.0°
N1	C10	O10	120.9°	119.5°
C3	C2	O2	110.7°	109.6°
C3	C2	H2	108.2°	109.5°
C2	C3	F3	110.7°	109.5°
C2	C3	C4	111.6°	109.0°
C2	C3	H3	107.8°	109.5°
O2	C2	H2	108.4°	109.5°
C2	O2	HO2	109.5°	114.0°
C10	N2	C9	120.6°	120.3°
C10	N2	HN2	119.7°	119.9°
N2	C10	O10	119.7°	119.5°
C9	N2	HN2	119.7°	119.9°
N2	C9	C8	119.8°	119.4°
N2	C9	O9	118.7°	120.3°
F3	C3	C4	111.4°	109.6°
F3	C3	H3	108.0°	109.7°
C4	C3	H3	107.1°	109.5°
C3	C4	O4	109.6°	109.5°
C3	C4	C5	113.1°	109.2°
C3	C4	H4	106.6°	109.5°
O4	C4	C5	108.5°	109.5°
O4	C4	H4	111.3°	109.6°
C4	O4	HO4	109.5°	114.0°
C5	C4	H4	107.7°	109.5°
C4	C5	C6	111.5°	109.5°
C4	C5	O5	111.2°	109.4°
C4	C5	H5	106.2°	109.5°
C6	C5	O5	107.2°	109.5°
C6	C5	H5	110.3°	109.5°
C5	C6	O6	108.0°	109.5°
C5	C6	H61	110.0°	109.5°
C5	C6	H62	110.0°	109.5°
O5	C5	H5	110.6°	109.5°
O6	C6	H61	110.0°	109.4°
O6	C6	H62	109.9°	109.4°
C6	O6	HO6	109.5°	114.0°
H61	C6	H62	109.0°	109.5°
C8	C7	H7	120.0°	120.2°
C7	C8	F8	118.9°	120.5°
C7	C8	C9	120.2°	119.0°
F8	C8	C9	120.9°	120.5°
C8	C9	O9	121.5°	120.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O5	N1	124.5°	120.0°
C2	C1	O5	H1	117.4°	119.9°
C2	C1	N1	H1	117.2°	120.0°
C2	C1	N1	C7	44.1°	64.7°
C2	C1	N1	C10	136.7°	115.0°
C1	C2	C3	O2	122.6°	120.0°
C1	C2	C3	H2	118.8°	119.9°
C1	C2	O2	H2	118.8°	120.1°
C1	C2	O2	HO2	180.0°	179.9°
C1	C2	C3	F3	169.9°	176.8°
C1	C2	C3	C4	45.2°	56.9°
C1	C2	C3	H3	72.2°	62.9°
C2	C1	O5	C5	72.5°	61.1°
O5	C1	N1	H1	122.5°	120.0°
O5	C1	N1	C7	76.1°	55.3°
O5	C1	N1	C10	103.1°	125.0°
O5	C1	C2	C3	62.2°	57.6°
O5	C1	C2	O2	175.0°	177.6°
O5	C1	C2	H2	56.4°	62.3°
C1	O5	C5	C4	65.9°	61.1°
C1	O5	C5	C6	172.0°	178.9°
C1	O5	C5	H5	51.8°	58.8°
C1	N1	C7	C10	179.2°	179.7°
N1	C1	C2	C3	178.1°	177.6°
N1	C1	C2	O2	55.4°	62.4°
N1	C1	C2	H2	63.3°	57.7°
C1	N1	C10	N2	180.0°	179.8°
N1	C1	O5	C5	163.0°	178.9°
C1	N1	C7	C8	179.7°	180.0°
C1	N1	C7	H7	0.3°	0.1°
C1	N1	C10	O10	0.7°	0.0°
H1	C1	N1	C7	161.4°	175.4°
H1	C1	N1	C10	19.5°	5.0°
H1	C1	C2	C3	60.3°	62.4°
H1	C1	C2	O2	62.5°	57.6°
H1	C1	C2	H2	178.9°	177.7°
H1	C1	O5	C5	44.9°	58.8°
C7	N1	C10	N2	0.8°	0.6°
N1	C7	C8	H7	180.0°	179.9°
N1	C7	C8	F8	179.6°	180.0°
N1	C7	C8	C9	0.1°	0.1°
C7	N1	C10	O10	179.9°	179.7°
N1	C10	N2	O10	179.3°	179.7°
N1	C10	N2	C9	0.4°	0.6°
N1	C10	N2	HN2	179.6°	179.7°
C10	N1	C7	C8	0.6°	0.3°
C10	N1	C7	H7	179.4°	179.8°
C3	C2	O2	H2	118.6°	120.2°
C3	C2	O2	HO2	57.3°	60.3°
C2	C3	F3	C4	124.8°	119.5°
C2	C3	F3	H3	117.8°	120.2°
C2	C3	C4	H3	117.8°	119.9°
C2	C3	C4	O4	160.3°	176.9°
C2	C3	C4	C5	39.1°	57.0°
C2	C3	C4	H4	79.1°	62.9°
O2	C2	C3	F3	67.6°	63.2°
O2	C2	C3	C4	167.7°	176.9°
O2	C2	C3	H3	50.4°	57.1°
H2	C2	O2	HO2	61.2°	59.9°
H2	C2	C3	F3	51.1°	56.9°
H2	C2	C3	C4	73.6°	62.9°
H2	C2	C3	H3	169.1°	177.2°
C10	N2	C9	HN2	180.0°	179.7°
C10	N2	C9	C8	0.2°	0.3°
C10	N2	C9	O9	179.9°	179.7°
N2	C9	C8	C7	0.4°	0.1°
N2	C9	C8	F8	180.0°	180.0°
N2	C9	C8	O9	179.7°	180.0°
C9	N2	C10	O10	179.7°	179.7°
HN2	N2	C9	C8	179.8°	180.0°
HN2	N2	C9	O9	0.1°	0.0°
HN2	N2	C10	O10	0.2°	0.0°
F3	C3	C4	H3	117.9°	120.3°
F3	C3	C4	O4	75.4°	63.3°
F3	C3	C4	C5	163.4°	176.8°
F3	C3	C4	H4	45.2°	56.9°
C3	C4	O4	C5	123.9°	119.7°
C3	C4	O4	H4	117.7°	120.2°
C3	C4	C5	H4	117.5°	119.9°
C3	C4	O4	HO4	180.0°	60.0°
C3	C4	C5	C6	168.8°	177.6°
C3	C4	C5	O5	49.3°	57.6°
C3	C4	C5	H5	71.1°	62.4°
H3	C3	C4	O4	42.5°	57.0°
H3	C3	C4	C5	78.7°	62.9°
H3	C3	C4	H4	163.1°	177.3°
O4	C4	C5	H4	120.6°	120.2°
O4	C4	C5	C6	69.3°	62.5°
O4	C4	C5	O5	171.1°	177.5°
O4	C4	C5	H5	50.8°	57.6°
C5	C4	O4	HO4	56.1°	179.7°
C4	C5	C6	O5	121.9°	120.0°
C4	C5	C6	H5	117.7°	120.0°
C4	C5	O5	H5	117.7°	120.0°
C4	C5	C6	O6	47.9°	175.0°
C4	C5	C6	H61	167.9°	55.0°
C4	C5	C6	H62	72.1°	65.0°
H4	C4	O4	HO4	62.3°	60.2°
H4	C4	C5	C6	51.3°	57.7°
H4	C4	C5	O5	68.2°	62.3°
H4	C4	C5	H5	171.4°	177.8°
C6	C5	O5	H5	120.2°	120.0°
C5	C6	O6	H61	120.0°	120.0°
C5	C6	O6	H62	120.0°	120.1°
C5	C6	H61	H62	120.6°	120.0°
C5	C6	O6	HO6	180.0°	180.0°
O5	C5	C6	O6	74.0°	65.1°
O5	C5	C6	H61	46.0°	175.0°
O5	C5	C6	H62	166.0°	54.9°
H5	C5	C6	O6	165.5°	54.9°
H5	C5	C6	H61	74.5°	65.0°
H5	C5	C6	H62	45.6°	174.9°
O6	C6	H61	H62	120.6°	120.0°
H61	C6	O6	HO6	60.0°	60.0°
H62	C6	O6	HO6	60.0°	59.9°
C7	C8	F8	C9	179.6°	179.9°
C7	C8	C9	O9	179.8°	180.0°
H7	C7	C8	F8	0.4°	0.1°
H7	C7	C8	C9	179.9°	180.0°
F8	C8	C9	O9	0.2°	0.0°

Definition date:	2010-01-13
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	3L7C