JVS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2P	P	doub	1.48Å	1.52Å
O3P	P	sing	1.61Å	1.51Å
P	O1P	sing	1.61Å	1.52Å
P	O1	sing	1.61Å	1.65Å
O1	C1	sing	1.43Å	1.41Å
C1	C15	sing	1.53Å	1.49Å
C1	O5	sing	1.43Å	1.47Å
C1	C2	sing	1.53Å	1.54Å
C5	O5	sing	1.43Å	1.50Å
C5	C6	sing	1.53Å	1.49Å
C5	C4	sing	1.53Å	1.53Å
C15	F16	sing	1.40Å	1.37Å
O2	C2	sing	1.43Å	1.43Å
C3	C2	sing	1.53Å	1.50Å
C3	C4	sing	1.53Å	1.48Å
C3	O3	sing	1.43Å	1.46Å
C6	O6	sing	1.43Å	1.40Å
O4	C4	sing	1.43Å	1.45Å
C3	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C15	H6	sing	1.09Å	1.10Å
C15	H7	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å
O1P	H10	sing	0.97Å	0.95Å
O2	HO2	sing	0.97Å	0.95Å
O3	HO3	sing	0.97Å	0.95Å
O3P	H13	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2P	P	O3P	108.8°	109.5°
O2P	P	O1P	108.9°	109.5°
O2P	P	O1	108.4°	109.5°
O3P	P	O1P	109.3°	109.5°
O3P	P	O1	110.2°	109.5°
P	O3P	H13	109.5°	114.0°
O1P	P	O1	111.2°	109.4°
P	O1P	H10	109.5°	114.1°
P	O1	C1	127.0°	123.0°
O1	C1	C15	114.4°	109.4°
O1	C1	O5	106.3°	109.5°
O1	C1	C2	109.5°	109.5°
C15	C1	O5	107.3°	109.5°
C15	C1	C2	108.4°	109.5°
C1	C15	F16	104.9°	109.4°
C1	C15	H6	110.6°	109.4°
C1	C15	H7	110.6°	109.5°
O5	C1	C2	110.9°	109.5°
C1	O5	C5	112.0°	114.1°
C1	C2	O2	111.8°	109.6°
C1	C2	C3	110.2°	109.2°
C1	C2	H2	107.6°	109.5°
O5	C5	C6	110.2°	109.5°
O5	C5	C4	110.3°	109.4°
O5	C5	H5	108.9°	109.5°
C6	C5	C4	109.6°	109.5°
C5	C6	O6	108.2°	109.5°
C6	C5	H5	109.1°	109.5°
C5	C6	H61	109.8°	109.5°
C5	C6	H62	109.8°	109.4°
C5	C4	C3	110.5°	109.2°
C5	C4	O4	110.4°	109.6°
C5	C4	H4	107.4°	109.5°
C4	C5	H5	108.6°	109.5°
F16	C15	H6	110.6°	109.4°
F16	C15	H7	110.6°	109.5°
O2	C2	C3	110.3°	109.5°
O2	C2	H2	108.9°	109.6°
C2	O2	HO2	109.5°	114.0°
C2	C3	C4	107.8°	109.1°
C2	C3	O3	109.1°	109.5°
C2	C3	H3	109.2°	109.5°
C3	C2	H2	108.0°	109.5°
C4	C3	O3	111.6°	109.6°
C3	C4	O4	112.0°	109.5°
C4	C3	H3	109.5°	109.5°
C3	C4	H4	108.0°	109.5°
O3	C3	H3	109.6°	109.6°
C3	O3	HO3	109.5°	114.0°
O6	C6	H61	109.8°	109.5°
O6	C6	H62	109.8°	109.5°
C6	O6	HO6	109.5°	114.0°
O4	C4	H4	108.4°	109.5°
C4	O4	HO4	109.5°	113.9°
H61	C6	H62	109.5°	109.4°
H6	C15	H7	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2P	P	O3P	O1P	118.8°	120.0°
O2P	P	O3P	O1	118.8°	120.0°
O2P	P	O1P	O1	119.4°	120.0°
O2P	P	O1	C1	169.6°	67.8°
O2P	P	O1P	H10	0.0°	180.0°
O2P	P	O3P	H13	0.0°	60.1°
O3P	P	O1P	O1	121.9°	120.0°
O3P	P	O1	C1	71.4°	172.2°
O3P	P	O1P	H10	118.7°	60.0°
O1P	P	O1	C1	50.0°	52.2°
O1P	P	O3P	H13	118.8°	59.9°
P	O1	C1	C15	30.2°	54.4°
P	O1	C1	O5	148.4°	65.6°
P	O1	C1	C2	91.8°	174.4°
O1	P	O1P	H10	119.4°	60.0°
O1	P	O3P	H13	118.8°	179.9°
O1	C1	C15	O5	117.6°	120.0°
O1	C1	C15	C2	122.5°	120.0°
O1	C1	O5	C2	118.9°	120.0°
O1	C1	O5	C5	65.5°	58.8°
O1	C1	C15	F16	172.7°	66.7°
O1	C1	C2	O2	63.8°	57.5°
O1	C1	C2	C3	59.2°	62.4°
O1	C1	C15	H6	53.4°	173.4°
O1	C1	C15	H7	68.1°	53.3°
O1	C1	C2	H2	176.7°	177.7°
C15	C1	O5	C2	118.3°	120.0°
C15	C1	O5	C5	171.7°	178.8°
C1	C15	F16	H6	119.3°	119.9°
C1	C15	F16	H7	119.2°	120.0°
C15	C1	C2	O2	61.6°	62.4°
C15	C1	C2	C3	175.4°	177.6°
C1	C15	H6	H7	122.1°	120.0°
C15	C1	C2	H2	57.8°	57.8°
C1	O5	C5	C6	174.6°	178.9°
C1	O5	C5	C4	53.5°	61.1°
O5	C1	C15	F16	69.7°	53.3°
O5	C1	C2	O2	179.2°	177.5°
O5	C1	C2	C3	57.7°	57.5°
C1	O5	C5	H5	65.6°	58.8°
O5	C1	C15	H6	171.0°	66.7°
O5	C1	C15	H7	49.5°	173.3°
O5	C1	C2	H2	59.8°	62.3°
C2	C1	O5	C5	53.4°	61.1°
C2	C1	C15	F16	50.2°	173.3°
C1	C2	O2	C3	122.9°	119.7°
C1	C2	O2	H2	118.7°	120.2°
C1	C2	C3	H2	117.2°	119.8°
C1	C2	C3	C4	61.5°	56.9°
C1	C2	C3	O3	177.2°	176.8°
C1	C2	C3	H3	57.3°	62.9°
C2	C1	C15	H6	69.1°	53.4°
C2	C1	C15	H7	169.4°	66.6°
C1	C2	O2	HO2	180.0°	179.7°
O5	C5	C6	C4	121.6°	119.9°
O5	C5	C6	H5	119.6°	120.0°
O5	C5	C4	H5	119.3°	119.9°
O5	C5	C4	C3	58.2°	57.6°
O5	C5	C6	O6	31.5°	65.0°
O5	C5	C4	O4	177.3°	177.5°
O5	C5	C4	H4	59.3°	62.3°
O5	C5	C6	H61	88.3°	174.9°
O5	C5	C6	H62	151.3°	55.0°
C6	C5	C4	H5	119.1°	120.1°
C6	C5	C4	C3	179.8°	177.6°
C5	C6	O6	H61	119.8°	120.1°
C5	C6	O6	H62	119.8°	120.0°
C6	C5	C4	O4	55.8°	62.5°
C6	C5	C4	H4	62.2°	57.7°
C5	C6	H61	H62	120.6°	119.9°
C5	C6	O6	HO6	180.0°	180.0°
C5	C4	C3	C2	62.2°	56.9°
C5	C4	C3	O4	123.5°	120.0°
C5	C4	C3	H4	117.2°	119.9°
C5	C4	C3	O3	178.1°	176.8°
C4	C5	C6	O6	90.1°	175.1°
C5	C4	O4	H4	117.4°	120.2°
C5	C4	C3	H3	56.5°	62.9°
C4	C5	C6	H61	150.1°	55.0°
C4	C5	C6	H62	29.7°	64.9°
C5	C4	O4	HO4	180.0°	60.3°
F16	C15	H6	H7	122.1°	120.1°
O2	C2	C3	H2	118.9°	120.2°
O2	C2	C3	C4	174.6°	176.9°
O2	C2	C3	O3	53.3°	63.2°
O2	C2	C3	H3	66.5°	57.1°
C2	C3	C4	O3	119.8°	119.9°
C2	C3	C4	H3	118.7°	119.8°
C2	C3	O3	H3	119.5°	120.2°
C2	C3	C4	O4	174.3°	176.9°
C2	C3	C4	H4	55.0°	63.0°
C3	C2	O2	HO2	57.1°	60.0°
C2	C3	O3	HO3	180.0°	180.0°
C4	C3	O3	H3	121.4°	120.2°
C3	C4	O4	H4	119.1°	120.1°
C3	C4	C5	H5	61.1°	62.3°
C4	C3	C2	H2	55.7°	62.9°
C4	C3	O3	HO3	61.0°	60.4°
C3	C4	O4	HO4	56.4°	180.0°
O3	C3	C4	O4	54.6°	63.2°
O3	C3	C4	H4	64.7°	56.9°
O3	C3	C2	H2	65.6°	57.0°
O6	C6	C5	H5	151.1°	55.0°
O6	C6	H61	H62	120.6°	120.0°
O4	C4	C3	H3	67.0°	57.1°
O4	C4	C5	H5	63.4°	57.6°
H3	C3	C4	H4	173.7°	177.2°
H3	C3	C2	H2	174.6°	177.2°
H3	C3	O3	HO3	60.4°	59.8°
H4	C4	C5	H5	178.7°	177.8°
H4	C4	O4	HO4	62.6°	59.9°
H5	C5	C6	H61	31.3°	65.0°
H5	C5	C6	H62	89.1°	175.0°
H61	C6	O6	HO6	60.2°	60.0°
H62	C6	O6	HO6	60.2°	60.0°
H2	C2	O2	HO2	61.3°	60.1°

Release date:	2019-07-31
Definition date:	2018-10-04
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	6MNV