MHH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.54Å
P	C1	sing	1.82Å	1.90Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C2	C3	sing	1.53Å	1.51Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.52Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C7	O1	sing	1.43Å	1.36Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C7	H7B	sing	1.09Å	1.10Å
O3	P	doub	1.48Å	1.76Å
P	O2	sing	1.61Å	1.48Å
P	O1	sing	1.61Å	1.66Å
O2	HO2	sing	0.97Å	0.95Å
C4	C5	sing	1.53Å	1.53Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
C5	C6	sing	1.53Å	1.55Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C6	H6B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	P	104.5°	109.4°
C2	C1	H1	111.2°	109.5°
C2	C1	H1A	112.2°	109.5°
C1	C2	C3	116.0°	109.5°
C1	C2	H2	107.4°	109.5°
C1	C2	H2A	105.9°	109.5°
P	C1	H1	111.2°	109.5°
P	C1	H1A	112.2°	109.5°
C1	P	O3	97.7°	109.5°
C1	P	O2	103.9°	109.5°
C1	P	O1	125.8°	109.4°
H1	C1	H1A	105.7°	109.4°
C3	C2	H2	107.3°	109.4°
C3	C2	H2A	105.8°	109.5°
C2	C3	C4	111.5°	109.4°
C2	C3	H3	108.8°	109.5°
C2	C3	H3A	108.3°	109.5°
H2	C2	H2A	114.7°	109.4°
C4	C3	H3	108.8°	109.4°
C4	C3	H3A	108.4°	109.5°
C3	C4	C5	108.1°	109.4°
C3	C4	H4	109.9°	109.5°
C3	C4	H4A	110.3°	109.5°
H3	C3	H3A	111.0°	109.5°
O1	C7	H7	109.5°	109.5°
O1	C7	H7A	109.5°	109.5°
O1	C7	H7B	109.5°	109.5°
C7	O1	P	139.8°	123.0°
H7	C7	H7A	109.4°	109.5°
H7	C7	H7B	109.5°	109.5°
H7A	C7	H7B	109.5°	109.5°
O3	P	O2	108.6°	109.5°
O3	P	O1	110.0°	109.5°
O2	P	O1	109.4°	109.4°
P	O2	HO2	109.5°	114.1°
C5	C4	H4	110.0°	109.4°
C5	C4	H4A	110.2°	109.5°
C4	C5	C6	111.7°	109.5°
C4	C5	H5	108.8°	109.5°
C4	C5	H5A	108.2°	109.5°
H4	C4	H4A	108.4°	109.5°
C6	C5	H5	108.7°	109.5°
C6	C5	H5A	108.2°	109.5°
C5	C6	H6	109.5°	109.5°
C5	C6	H6A	109.4°	109.5°
C5	C6	H6B	109.5°	109.5°
H5	C5	H5A	111.2°	109.4°
H6	C6	H6A	109.5°	109.5°
H6	C6	H6B	109.5°	109.4°
H6A	C6	H6B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	P	H1	120.0°	120.0°
C2	C1	P	H1A	121.9°	120.0°
C2	C1	H1	H1A	122.0°	120.0°
C1	C2	C3	H2	120.0°	120.1°
C1	C2	C3	H2A	117.0°	120.1°
C1	C2	H2	H2A	117.3°	120.0°
C1	C2	C3	C4	179.6°	180.0°
C1	C2	C3	H3	60.4°	60.0°
C1	C2	C3	H3A	60.4°	60.0°
C2	C1	P	O3	177.1°	55.0°
C2	C1	P	O2	71.4°	65.1°
C2	C1	P	O1	55.5°	175.0°
P	C1	H1	H1A	122.0°	120.0°
P	C1	C2	C3	178.8°	180.0°
P	C1	C2	H2	61.2°	60.0°
P	C1	C2	H2A	61.8°	60.0°
C1	P	O1	C7	160.1°	175.0°
C1	P	O3	O2	107.6°	120.1°
C1	P	O3	O1	132.6°	120.0°
C1	P	O2	O1	136.5°	119.9°
C1	P	O2	HO2	52.9°	60.0°
H1	C1	C2	C3	61.2°	60.0°
H1	C1	C2	H2	58.8°	60.0°
H1	C1	C2	H2A	178.2°	180.0°
H1	C1	P	O3	57.1°	175.0°
H1	C1	P	O2	168.5°	54.9°
H1	C1	P	O1	64.5°	65.0°
H1A	C1	C2	C3	56.9°	60.0°
H1A	C1	C2	H2	176.9°	180.0°
H1A	C1	C2	H2A	60.1°	60.1°
H1A	C1	P	O3	61.0°	65.0°
H1A	C1	P	O2	50.4°	174.9°
H1A	C1	P	O1	177.4°	55.0°
C3	C2	H2	H2A	117.3°	119.9°
C2	C3	C4	H3	120.0°	119.9°
C2	C3	C4	H3A	119.2°	120.0°
C2	C3	H3	H3A	119.2°	120.0°
C2	C3	C4	C5	142.4°	180.0°
C2	C3	C4	H4	22.4°	60.1°
C2	C3	C4	H4A	97.0°	60.0°
H2	C2	C3	C4	59.6°	60.0°
H2	C2	C3	H3	179.6°	179.9°
H2	C2	C3	H3A	59.6°	60.1°
H2A	C2	C3	C4	63.4°	59.9°
H2A	C2	C3	H3	56.6°	60.0°
H2A	C2	C3	H3A	177.5°	180.0°
C4	C3	H3	H3A	119.2°	120.1°
C3	C4	C5	H4	120.0°	120.0°
C3	C4	C5	H4A	120.6°	120.0°
C3	C4	H4	H4A	120.6°	120.1°
C3	C4	C5	C6	94.9°	180.0°
C3	C4	C5	H5	145.1°	60.0°
C3	C4	C5	H5A	24.2°	59.9°
H3	C3	C4	C5	97.6°	60.1°
H3	C3	C4	H4	142.4°	180.0°
H3	C3	C4	H4A	23.0°	59.9°
H3A	C3	C4	C5	23.2°	60.0°
H3A	C3	C4	H4	96.8°	59.9°
H3A	C3	C4	H4A	143.8°	180.0°
O1	C7	H7	H7A	120.0°	120.0°
O1	C7	H7	H7B	120.0°	120.0°
O1	C7	H7A	H7B	120.0°	120.0°
C7	O1	P	O3	83.8°	55.0°
C7	O1	P	O2	35.5°	65.0°
H7	C7	H7A	H7B	120.0°	120.0°
H7	C7	O1	P	54.0°	60.0°
H7A	C7	O1	P	66.0°	180.0°
H7B	C7	O1	P	174.0°	60.0°
O3	P	O2	O1	120.2°	120.0°
O3	P	O2	HO2	156.2°	180.0°
O1	P	O2	HO2	83.6°	60.0°
C5	C4	H4	H4A	120.6°	120.0°
C4	C5	C6	H5	120.0°	120.0°
C4	C5	C6	H5A	119.1°	120.0°
C4	C5	H5	H5A	119.1°	120.0°
C4	C5	C6	H6	51.5°	60.0°
C4	C5	C6	H6A	68.5°	60.0°
C4	C5	C6	H6B	171.6°	180.0°
H4	C4	C5	C6	25.1°	60.0°
H4	C4	C5	H5	94.9°	180.0°
H4	C4	C5	H5A	144.1°	60.0°
H4A	C4	C5	C6	144.5°	60.0°
H4A	C4	C5	H5	24.5°	60.0°
H4A	C4	C5	H5A	96.4°	180.0°
C6	C5	H5	H5A	119.1°	120.0°
C5	C6	H6	H6A	120.0°	120.0°
C5	C6	H6	H6B	120.0°	120.0°
C5	C6	H6A	H6B	120.0°	120.0°
H5	C5	C6	H6	171.6°	179.9°
H5	C5	C6	H6A	51.6°	60.0°
H5	C5	C6	H6B	68.4°	60.0°
H5A	C5	C6	H6	67.5°	60.0°
H5A	C5	C6	H6A	172.5°	180.0°
H5A	C5	C6	H6B	52.5°	60.0°
H6	C6	H6A	H6B	120.0°	119.9°

Definition date:	2008-01-28
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB
Derived from:	2R9T