YO5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1P	P	doub	1.48Å	1.55Å
P	O2P	sing	1.61Å	1.52Å
P	O3P	sing	1.61Å	1.52Å
P	C7	sing	1.82Å	1.84Å
C7	C1	sing	1.53Å	1.52Å
C1	O5	sing	1.43Å	1.42Å
C1	C2	sing	1.53Å	1.52Å
O5	C5	sing	1.43Å	1.38Å
C5	C6	sing	1.53Å	1.51Å
C5	C4	sing	1.53Å	1.52Å
C6	O6	sing	1.43Å	1.41Å
C4	O4	sing	1.43Å	1.39Å
C4	C3	sing	1.53Å	1.51Å
C3	O3	sing	1.43Å	1.41Å
C3	C2	sing	1.53Å	1.52Å
C2	O2	sing	1.43Å	1.41Å
O6	H6O	sing	0.97Å	0.95Å
O3P	H3P	sing	0.97Å	0.95Å
O2P	H2P	sing	0.97Å	0.95Å
C7	H71C	sing	1.09Å	1.10Å
C7	H72C	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H61C	sing	1.09Å	1.10Å
C6	H62C	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
O4	HA	sing	0.97Å	0.95Å
C3	H3	sing	1.09Å	1.10Å
O3	HB	sing	0.97Å	0.95Å
O2	HC	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1P	P	O2P	112.8°	109.5°
O1P	P	O3P	111.0°	109.5°
O1P	P	C7	106.9°	109.5°
O2P	P	O3P	111.2°	109.4°
O2P	P	C7	109.8°	109.4°
P	O2P	H2P	109.5°	114.0°
O3P	P	C7	104.8°	109.5°
P	O3P	H3P	109.5°	114.0°
P	C7	C1	113.9°	109.5°
P	C7	H71C	108.4°	109.5°
P	C7	H72C	108.4°	109.4°
C7	C1	O5	106.2°	109.5°
C7	C1	C2	114.4°	109.6°
C1	C7	H71C	108.3°	109.5°
C1	C7	H72C	108.4°	109.5°
C7	C1	H1	107.9°	109.5°
O5	C1	C2	111.1°	109.4°
C1	O5	C5	116.2°	114.2°
O5	C1	H1	109.2°	109.4°
C1	C2	C3	110.8°	109.2°
C1	C2	O2	110.4°	109.5°
C2	C1	H1	107.9°	109.4°
C1	C2	H2	107.5°	109.5°
O5	C5	C6	109.9°	109.5°
O5	C5	C4	108.8°	109.4°
O5	C5	H5	109.4°	109.5°
C6	C5	C4	113.2°	109.5°
C5	C6	O6	114.8°	109.5°
C6	C5	H5	107.8°	109.5°
C5	C6	H61C	108.1°	109.5°
C5	C6	H62C	108.1°	109.5°
C5	C4	O4	110.1°	109.5°
C5	C4	C3	109.6°	109.1°
C4	C5	H5	107.7°	109.5°
C5	C4	H4	108.0°	109.6°
C6	O6	H6O	109.5°	114.0°
O6	C6	H61C	108.1°	109.4°
O6	C6	H62C	108.1°	109.4°
O4	C4	C3	111.3°	109.5°
O4	C4	H4	109.7°	109.5°
C4	O4	HA	109.5°	114.0°
C4	C3	O3	111.5°	109.5°
C4	C3	C2	110.9°	109.0°
C3	C4	H4	108.1°	109.5°
C4	C3	H3	107.5°	109.6°
O3	C3	C2	110.6°	109.5°
O3	C3	H3	108.8°	109.5°
C3	O3	HB	109.5°	114.0°
C3	C2	O2	111.4°	109.5°
C3	C2	H2	107.5°	109.6°
C2	C3	H3	107.4°	109.6°
O2	C2	H2	109.0°	109.5°
C2	O2	HC	109.5°	114.0°
H71C	C7	H72C	109.5°	109.5°
H61C	C6	H62C	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1P	P	O2P	O3P	125.4°	120.1°
O1P	P	O2P	C7	119.1°	120.0°
O1P	P	O3P	C7	115.0°	120.0°
O1P	P	C7	C1	171.7°	55.0°
O1P	P	O3P	H3P	0.0°	180.0°
O1P	P	O2P	H2P	0.0°	60.0°
O1P	P	C7	H71C	67.7°	65.0°
O1P	P	C7	H72C	51.0°	175.0°
O2P	P	O3P	C7	118.5°	119.9°
O2P	P	C7	C1	49.0°	175.0°
O2P	P	O3P	H3P	126.5°	60.0°
O2P	P	C7	H71C	169.6°	55.0°
O2P	P	C7	H72C	71.7°	65.0°
O3P	P	C7	C1	70.5°	65.0°
O3P	P	O2P	H2P	125.4°	60.0°
O3P	P	C7	H71C	50.1°	175.0°
O3P	P	C7	H72C	168.8°	55.0°
P	C7	C1	H71C	120.6°	120.0°
P	C7	C1	H72C	120.7°	120.0°
P	C7	C1	O5	138.0°	65.0°
P	C7	C1	C2	99.2°	175.0°
C7	P	O3P	H3P	115.0°	60.0°
C7	P	O2P	H2P	119.1°	180.0°
P	C7	H71C	H72C	118.0°	120.0°
P	C7	C1	H1	21.0°	55.0°
C7	C1	O5	C2	124.9°	120.1°
C7	C1	O5	H1	116.2°	120.0°
C7	C1	C2	H1	120.1°	120.1°
C7	C1	O5	C5	177.6°	178.9°
C7	C1	C2	C3	169.5°	177.5°
C7	C1	C2	O2	66.6°	62.5°
C1	C7	H71C	H72C	118.0°	120.0°
C7	C1	C2	H2	52.2°	57.6°
O5	C1	C2	H1	119.7°	119.9°
C1	O5	C5	C6	174.0°	178.9°
C1	O5	C5	C4	61.6°	61.1°
O5	C1	C2	C3	49.3°	57.5°
O5	C1	C2	O2	173.3°	177.4°
O5	C1	C7	H71C	101.4°	55.0°
O5	C1	C7	H72C	17.3°	175.1°
O5	C1	C2	H2	67.9°	62.5°
C1	O5	C5	H5	55.8°	58.9°
C2	C1	O5	C5	57.6°	61.0°
C1	C2	C3	C4	50.3°	57.0°
C1	C2	C3	O3	174.5°	176.8°
C1	C2	C3	O2	123.4°	119.9°
C1	C2	C3	H2	117.3°	119.9°
C1	C2	O2	H2	117.9°	120.1°
C2	C1	C7	H71C	21.5°	65.0°
C2	C1	C7	H72C	140.2°	55.0°
C1	C2	C3	H3	66.9°	63.0°
C1	C2	O2	HC	180.0°	179.9°
O5	C5	C6	C4	121.9°	119.9°
O5	C5	C6	H5	119.2°	120.0°
O5	C5	C4	H5	118.5°	120.0°
O5	C5	C6	O6	61.0°	65.0°
O5	C5	C4	O4	178.9°	177.5°
O5	C5	C4	C3	58.4°	57.6°
C5	O5	C1	H1	61.4°	58.9°
O5	C5	C6	H61C	178.2°	175.0°
O5	C5	C6	H62C	59.7°	54.9°
O5	C5	C4	H4	59.1°	62.3°
C6	C5	C4	H5	119.1°	120.0°
C5	C6	O6	H61C	120.8°	120.0°
C5	C6	O6	H62C	120.8°	120.0°
C6	C5	C4	O4	56.5°	62.5°
C6	C5	C4	C3	179.2°	177.6°
C5	C6	O6	H6O	180.0°	180.0°
C5	C6	H61C	H62C	117.6°	120.0°
C6	C5	C4	H4	63.3°	57.7°
C4	C5	C6	O6	177.1°	175.0°
C5	C4	O4	C3	121.7°	119.7°
C5	C4	O4	H4	118.7°	120.2°
C5	C4	C3	H4	117.4°	120.0°
C5	C4	C3	O3	178.3°	176.9°
C5	C4	C3	C2	54.6°	57.0°
C4	C5	C6	H61C	56.3°	55.0°
C4	C5	C6	H62C	62.1°	65.0°
C5	C4	O4	HA	180.0°	60.4°
C5	C4	C3	H3	62.5°	62.9°
O6	C6	C5	H5	58.1°	55.0°
O6	C6	H61C	H62C	117.5°	120.0°
O4	C4	C3	H4	120.6°	120.2°
O4	C4	C3	O3	59.7°	63.2°
O4	C4	C3	C2	176.6°	176.9°
O4	C4	C5	H5	62.6°	57.5°
O4	C4	C3	H3	59.5°	56.9°
C4	C3	O3	C2	123.9°	119.5°
C4	C3	O3	H3	118.4°	120.3°
C4	C3	C2	H3	117.2°	120.0°
C4	C3	C2	O2	173.6°	176.9°
C4	C3	C2	H2	67.0°	63.0°
C3	C4	C5	H5	60.1°	62.4°
C3	C4	O4	HA	58.3°	180.0°
C4	C3	O3	HB	180.0°	60.4°
O3	C3	C2	H3	118.6°	120.2°
O3	C3	C2	O2	62.1°	63.3°
O3	C3	C2	H2	57.3°	56.9°
O3	C3	C4	H4	60.9°	56.9°
C3	C2	O2	H2	118.5°	120.2°
C3	C2	C1	H1	70.4°	62.4°
C2	C3	C4	H4	62.8°	62.9°
C2	C3	O3	HB	56.1°	180.0°
C3	C2	O2	HC	56.4°	60.2°
O2	C2	C1	H1	53.5°	57.5°
O2	C2	C3	H3	56.5°	56.9°
H6O	O6	C6	H61C	59.2°	60.0°
H6O	O6	C6	H62C	59.2°	60.0°
H71C	C7	C1	H1	141.6°	175.0°
H72C	C7	C1	H1	99.7°	65.0°
H1	C1	C2	H2	172.3°	177.6°
H2	C2	C3	H3	175.9°	177.0°
H2	C2	O2	HC	62.1°	60.0°
H5	C5	C6	H61C	62.6°	65.0°
H5	C5	C6	H62C	178.9°	174.9°
H5	C5	C4	H4	177.6°	177.7°
H4	C4	O4	HA	61.3°	59.8°
H4	C4	C3	H3	179.9°	177.1°
H3	C3	O3	HB	61.6°	59.8°

Release date:	2014-07-16
Definition date:	2013-09-09
Last modified:	2020-07-17
Release status:	REL
Processing site:	EBI
Derived from:	4C4R