HHG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2P	P	sing	1.61Å	1.52Å
O2P	H2P	sing	0.97Å	0.95Å
P	O4P	doub	1.48Å	1.52Å
P	O1P	sing	1.61Å	1.52Å
P	O3P	sing	1.61Å	1.62Å
O1P	H1P	sing	0.97Å	0.95Å
O3P	C1	sing	1.43Å	1.42Å
C1	C2	sing	1.53Å	1.52Å
C1	H11	sing	1.09Å	1.11Å
C1	H12	sing	1.09Å	1.11Å
C2	O2	sing	1.43Å	1.44Å
C2	C3	sing	1.53Å	1.53Å
C2	H2	sing	1.09Å	1.12Å
O2	HO2	sing	0.97Å	0.95Å
C3	O3	sing	1.45Å	1.43Å
C3	H31	sing	1.09Å	1.12Å
C3	H32	sing	1.09Å	1.11Å
O3	C4	sing	1.34Å	1.46Å
C4	O1	doub	1.21Å	1.23Å
C4	C5	sing	1.51Å	1.51Å
C5	C6	sing	1.53Å	1.52Å
C5	H51	sing	1.09Å	1.12Å
C5	H52	sing	1.09Å	1.12Å
C6	C7	sing	1.53Å	1.52Å
C6	H61	sing	1.09Å	1.12Å
C6	H62	sing	1.09Å	1.11Å
C7	C8	sing	1.53Å	1.52Å
C7	H71	sing	1.09Å	1.11Å
C7	H72	sing	1.09Å	1.12Å
C8	C9	sing	1.53Å	1.51Å
C8	H81	sing	1.09Å	1.12Å
C8	H82	sing	1.09Å	1.11Å
C9	H91	sing	1.09Å	1.11Å
C9	H92	sing	1.09Å	1.11Å
C9	H93	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
P	O2P	H2P	112.9°	106.8°
O2P	P	O4P	112.9°	109.5°
O2P	P	O1P	115.8°	109.5°
O2P	P	O3P	103.1°	109.5°
O4P	P	O1P	113.6°	109.5°
O4P	P	O3P	104.3°	109.5°
O1P	P	O3P	105.4°	109.5°
P	O1P	H1P	115.8°	106.8°
P	O3P	C1	121.6°	106.8°
O3P	C1	C2	108.2°	109.5°
O3P	C1	H11	112.7°	109.5°
O3P	C1	H12	112.7°	109.4°
C2	C1	H11	112.7°	109.5°
C2	C1	H12	112.7°	109.5°
C1	C2	O2	109.4°	109.5°
C1	C2	C3	109.3°	109.5°
C1	C2	H2	110.1°	109.5°
H11	C1	H12	97.8°	109.4°
O2	C2	C3	111.0°	109.4°
O2	C2	H2	108.4°	109.5°
C2	O2	HO2	109.4°	106.8°
C3	C2	H2	108.6°	109.5°
C2	C3	O3	108.0°	109.5°
C2	C3	H31	112.8°	109.5°
C2	C3	H32	112.8°	109.5°
O3	C3	H31	112.7°	109.5°
O3	C3	H32	112.8°	109.5°
C3	O3	C4	123.1°	120.0°
H31	C3	H32	97.7°	109.4°
O3	C4	O1	120.5°	120.1°
O3	C4	C5	117.5°	120.0°
O1	C4	C5	122.0°	119.9°
C4	C5	C6	111.7°	109.5°
C4	C5	H51	111.4°	109.5°
C4	C5	H52	111.4°	109.5°
C6	C5	H51	111.4°	109.5°
C6	C5	H52	111.4°	109.5°
C5	C6	C7	109.8°	109.5°
C5	C6	H61	112.1°	109.4°
C5	C6	H62	112.1°	109.4°
H51	C5	H52	99.0°	109.4°
C7	C6	H61	112.1°	109.5°
C7	C6	H62	112.1°	109.5°
C6	C7	C8	111.2°	109.5°
C6	C7	H71	111.6°	109.5°
C6	C7	H72	111.6°	109.5°
H61	C6	H62	98.3°	109.5°
C8	C7	H71	111.6°	109.5°
C8	C7	H72	111.6°	109.5°
C7	C8	C9	114.5°	109.5°
C7	C8	H81	110.3°	109.5°
C7	C8	H82	110.4°	109.5°
H71	C7	H72	98.8°	109.4°
C9	C8	H81	110.4°	109.4°
C9	C8	H82	110.4°	109.5°
C8	C9	H91	110.3°	109.5°
C8	C9	H92	114.5°	109.5°
C8	C9	H93	110.4°	109.4°
H81	C8	H82	99.9°	109.5°
H91	C9	H92	110.4°	109.5°
H91	C9	H93	99.9°	109.5°
H92	C9	H93	110.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2P	P	O4P	O1P	134.5°	120.0°
O2P	P	O4P	O3P	111.2°	120.0°
O2P	P	O1P	O3P	113.3°	120.0°
O2P	P	O1P	H1P	180.0°	60.0°
O2P	P	O3P	C1	46.9°	175.0°
H2P	O2P	P	O4P	180.0°	60.0°
H2P	O2P	P	O1P	46.6°	60.0°
H2P	O2P	P	O3P	68.0°	180.0°
O4P	P	O1P	O3P	113.6°	120.0°
O4P	P	O1P	H1P	46.9°	180.0°
O4P	P	O3P	C1	165.1°	55.0°
O1P	P	O3P	C1	75.0°	65.0°
O3P	P	O1P	H1P	66.7°	60.1°
P	O3P	C1	C2	119.6°	180.0°
P	O3P	C1	H11	5.7°	60.0°
P	O3P	C1	H12	115.1°	60.0°
O3P	C1	C2	H11	125.3°	120.0°
O3P	C1	C2	H12	125.2°	120.0°
O3P	C1	H11	H12	118.6°	120.0°
O3P	C1	C2	O2	71.2°	65.0°
O3P	C1	C2	C3	167.0°	175.0°
O3P	C1	C2	H2	47.8°	55.0°
C2	C1	H11	H12	118.6°	120.0°
C1	C2	O2	C3	120.7°	120.0°
C1	C2	O2	H2	120.1°	120.0°
C1	C2	C3	H2	120.2°	120.0°
C1	C2	O2	HO2	180.0°	60.0°
C1	C2	C3	O3	171.2°	175.0°
C1	C2	C3	H31	46.0°	55.0°
C1	C2	C3	H32	63.5°	65.0°
H11	C1	C2	O2	163.5°	175.0°
H11	C1	C2	C3	41.8°	55.0°
H11	C1	C2	H2	77.4°	65.0°
H12	C1	C2	O2	54.0°	55.0°
H12	C1	C2	C3	67.7°	65.0°
H12	C1	C2	H2	173.1°	175.0°
O2	C2	C3	H2	119.1°	120.0°
O2	C2	C3	O3	68.0°	65.0°
O2	C2	C3	H31	166.8°	175.0°
O2	C2	C3	H32	57.3°	55.0°
C3	C2	O2	HO2	59.3°	60.0°
C2	C3	O3	H31	125.3°	120.1°
C2	C3	O3	H32	125.3°	120.0°
C2	C3	H31	H32	118.7°	120.0°
C2	C3	O3	C4	169.7°	180.0°
H2	C2	O2	HO2	59.9°	180.0°
H2	C2	C3	O3	51.1°	55.0°
H2	C2	C3	H31	74.2°	65.0°
H2	C2	C3	H32	176.3°	175.0°
O3	C3	H31	H32	118.7°	120.0°
C3	O3	C4	O1	1.4°	0.1°
C3	O3	C4	C5	178.5°	180.0°
H31	C3	O3	C4	44.4°	59.9°
H32	C3	O3	C4	65.1°	60.0°
O3	C4	O1	C5	179.9°	179.9°
O3	C4	C5	C6	179.8°	180.0°
O3	C4	C5	H51	54.6°	59.9°
O3	C4	C5	H52	54.9°	60.0°
O1	C4	C5	C6	0.0°	0.0°
O1	C4	C5	H51	125.3°	120.0°
O1	C4	C5	H52	125.2°	120.0°
C4	C5	C6	H51	125.3°	120.0°
C4	C5	C6	H52	125.3°	120.0°
C4	C5	H51	H52	117.3°	120.0°
C4	C5	C6	C7	141.1°	180.0°
C4	C5	C6	H61	15.8°	59.9°
C4	C5	C6	H62	93.7°	60.0°
C6	C5	H51	H52	117.3°	120.0°
C5	C6	C7	H61	125.3°	120.0°
C5	C6	C7	H62	125.3°	120.0°
C5	C6	H61	H62	118.0°	119.9°
C5	C6	C7	C8	113.9°	180.0°
C5	C6	C7	H71	120.8°	60.0°
C5	C6	C7	H72	11.3°	60.0°
H51	C5	C6	C7	93.7°	60.0°
H51	C5	C6	H61	141.0°	180.0°
H51	C5	C6	H62	31.6°	60.0°
H52	C5	C6	C7	15.8°	60.0°
H52	C5	C6	H61	109.5°	60.1°
H52	C5	C6	H62	141.0°	180.0°
C7	C6	H61	H62	118.0°	120.0°
C6	C7	C8	H71	125.3°	120.0°
C6	C7	C8	H72	125.3°	120.0°
C6	C7	H71	H72	117.5°	120.0°
C6	C7	C8	C9	93.0°	180.0°
C6	C7	C8	H81	141.7°	60.0°
C6	C7	C8	H82	32.3°	60.0°
H61	C6	C7	C8	11.3°	60.0°
H61	C6	C7	H71	113.9°	179.9°
H61	C6	C7	H72	136.6°	60.0°
H62	C6	C7	C8	120.8°	60.0°
H62	C6	C7	H71	4.5°	60.0°
H62	C6	C7	H72	113.9°	180.0°
C8	C7	H71	H72	117.5°	120.0°
C7	C8	C9	H81	125.2°	120.0°
C7	C8	C9	H82	125.3°	120.1°
C7	C8	H81	H82	116.2°	120.1°
C7	C8	C9	H91	54.7°	180.0°
C7	C8	C9	H92	180.0°	60.0°
C7	C8	C9	H93	54.7°	60.0°
H71	C7	C8	C9	32.2°	60.0°
H71	C7	C8	H81	93.0°	179.9°
H71	C7	C8	H82	157.5°	60.0°
H72	C7	C8	C9	141.7°	59.9°
H72	C7	C8	H81	16.5°	60.0°
H72	C7	C8	H82	93.0°	180.0°
C9	C8	H81	H82	116.2°	120.0°
C8	C9	H91	H92	127.6°	120.1°
C8	C9	H91	H93	116.2°	119.9°
C8	C9	H92	H93	125.3°	120.0°
H81	C8	C9	H91	180.0°	60.1°
H81	C8	C9	H92	54.8°	60.0°
H81	C8	C9	H93	70.5°	180.0°
H82	C8	C9	H91	70.5°	59.9°
H82	C8	C9	H92	54.7°	180.0°
H82	C8	C9	H93	180.0°	60.1°
H91	C9	H92	H93	109.5°	120.0°

Definition date:	2005-01-05
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	1Y9T