FDQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
P1	O1P	doub	1.48Å	1.51Å
P1	O2P	sing	1.61Å	1.49Å
P1	O3P	sing	1.61Å	1.47Å
P1	C21	sing	1.82Å	1.47Å
O2P	HOP2	sing	0.97Å	0.95Å
O3P	HOP3	sing	0.97Å	0.95Å
C21	C2	sing	1.53Å	1.48Å
C21	H211	sing	1.09Å	1.10Å
C21	H212	sing	1.09Å	1.10Å
C2	C3	sing	1.54Å	1.56Å
C2	O5	sing	1.44Å	1.46Å
C2	H2	sing	1.09Å	1.10Å
C3	O3	sing	1.43Å	1.47Å
C3	C4	sing	1.54Å	1.54Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C4	O4	sing	1.43Å	1.38Å
C4	C5	sing	1.54Å	1.53Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C5	O5	sing	1.45Å	1.43Å
C5	C6	sing	1.53Å	1.50Å
C5	H5	sing	1.09Å	1.10Å
C6	O6	sing	1.43Å	1.45Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
O6	P2	sing	1.61Å	1.61Å
P2	O4P	doub	1.48Å	1.49Å
P2	O5P	sing	1.61Å	1.51Å
P2	O6P	sing	1.61Å	1.50Å
O5P	HOP5	sing	0.97Å	0.95Å
O6P	HOP6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1P	P1	O2P	110.2°	109.5°
O1P	P1	O3P	108.6°	109.5°
O1P	P1	C21	120.2°	109.5°
O2P	P1	O3P	106.3°	109.5°
O2P	P1	C21	104.6°	109.5°
P1	O2P	HOP2	109.5°	106.8°
O3P	P1	C21	106.1°	109.5°
P1	O3P	HOP3	109.5°	106.8°
P1	C21	C2	133.8°	109.5°
P1	C21	H211	96.5°	109.5°
P1	C21	H212	102.0°	109.5°
C2	C21	H211	96.4°	109.4°
C2	C21	H212	102.1°	109.4°
C21	C2	C3	116.5°	110.4°
C21	C2	O5	110.7°	110.5°
C21	C2	H2	102.5°	110.3°
H211	C21	H212	131.2°	109.5°
C3	C2	O5	105.6°	104.8°
C3	C2	H2	107.8°	110.4°
C2	C3	O3	115.5°	110.6°
C2	C3	C4	103.7°	104.0°
C2	C3	H3	111.6°	110.5°
O5	C2	H2	113.9°	110.4°
C2	O5	C5	113.0°	105.3°
O3	C3	C4	115.1°	110.5°
O3	C3	H3	99.2°	110.5°
C3	O3	HO3	109.5°	106.8°
C4	C3	H3	112.1°	110.5°
C3	C4	O4	116.3°	110.5°
C3	C4	C5	106.6°	104.2°
C3	C4	H4	107.7°	110.5°
O4	C4	C5	112.0°	110.5°
O4	C4	H4	101.8°	110.4°
C4	O4	HO4	109.5°	106.8°
C5	C4	H4	112.4°	110.5°
C4	C5	O5	106.6°	104.7°
C4	C5	C6	108.4°	110.7°
C4	C5	H5	113.0°	110.3°
O5	C5	C6	112.4°	110.3°
O5	C5	H5	109.1°	110.4°
C6	C5	H5	107.4°	110.4°
C5	C6	O6	107.7°	109.5°
C5	C6	H61	110.5°	109.4°
C5	C6	H62	110.0°	109.5°
O6	C6	H61	110.5°	109.5°
O6	C6	H62	110.1°	109.5°
C6	O6	P2	125.4°	106.8°
H61	C6	H62	108.1°	109.5°
O6	P2	O4P	109.3°	109.5°
O6	P2	O5P	110.1°	109.5°
O6	P2	O6P	109.6°	109.5°
O4P	P2	O5P	110.8°	109.5°
O4P	P2	O6P	110.2°	109.5°
O5P	P2	O6P	106.7°	109.4°
P2	O5P	HOP5	109.5°	106.8°
P2	O6P	HOP6	109.5°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1P	P1	O2P	O3P	117.5°	120.0°
O1P	P1	O2P	C21	130.5°	120.0°
O1P	P1	O3P	C21	130.5°	120.0°
O1P	P1	O2P	HOP2	20.4°	60.0°
O1P	P1	O3P	HOP3	11.2°	180.0°
O1P	P1	C21	C2	136.3°	55.0°
O1P	P1	C21	H211	118.3°	65.0°
O1P	P1	C21	H212	16.3°	175.0°
O2P	P1	O3P	C21	110.9°	120.0°
O2P	P1	O3P	HOP3	129.7°	60.0°
O2P	P1	C21	C2	12.0°	175.0°
O2P	P1	C21	H211	117.3°	55.0°
O2P	P1	C21	H212	108.1°	65.0°
O3P	P1	O2P	HOP2	97.1°	60.0°
O3P	P1	C21	C2	100.1°	65.0°
O3P	P1	C21	H211	5.2°	175.0°
O3P	P1	C21	H212	139.8°	55.0°
C21	P1	O2P	HOP2	150.9°	180.0°
C21	P1	O3P	HOP3	119.3°	60.0°
P1	C21	C2	H211	105.4°	120.0°
P1	C21	C2	H212	120.0°	120.0°
P1	C21	H211	H212	112.2°	120.1°
P1	C21	C2	C3	89.4°	175.0°
P1	C21	C2	O5	149.9°	69.6°
P1	C21	C2	H2	28.0°	52.7°
C2	C21	H211	H212	112.3°	119.9°
C21	C2	C3	O5	123.3°	118.9°
C21	C2	C3	H2	114.5°	122.2°
C21	C2	O5	H2	114.9°	122.3°
C21	C2	C3	O3	23.7°	24.2°
C21	C2	C3	C4	103.2°	142.9°
C21	C2	C3	H3	136.0°	98.5°
C21	C2	O5	C5	114.1°	159.3°
H211	C21	C2	C3	165.2°	65.0°
H211	C21	C2	O5	44.5°	50.5°
H211	C21	C2	H2	77.3°	172.8°
H212	C21	C2	C3	30.6°	55.0°
H212	C21	C2	O5	90.1°	170.4°
H212	C21	C2	H2	148.1°	67.3°
C3	C2	O5	H2	118.2°	118.8°
C2	C3	O3	C4	120.9°	114.7°
C2	C3	O3	H3	119.4°	122.7°
C2	C3	C4	H3	120.5°	118.6°
C2	C3	O3	HO3	64.5°	176.1°
C2	C3	C4	O4	146.1°	118.6°
C2	C3	C4	C5	20.5°	0.1°
C2	C3	C4	H4	100.4°	118.8°
C3	C2	O5	C5	12.8°	40.4°
O5	C2	C3	O3	147.0°	94.7°
O5	C2	C3	C4	20.1°	24.0°
O5	C2	C3	H3	100.7°	142.6°
C2	O5	C5	C4	0.3°	40.3°
C2	O5	C5	C6	119.0°	159.4°
C2	O5	C5	H5	122.1°	78.3°
H2	C2	C3	O3	90.8°	146.4°
H2	C2	C3	C4	142.3°	94.9°
H2	C2	C3	H3	21.5°	23.7°
H2	C2	O5	C5	131.0°	78.4°
O3	C3	C4	H3	112.4°	122.6°
O3	C3	C4	O4	86.7°	122.6°
O3	C3	C4	C5	147.6°	118.7°
O3	C3	C4	H4	26.7°	0.0°
C4	C3	O3	HO3	56.3°	61.4°
C3	C4	O4	C5	122.9°	114.8°
C3	C4	O4	H4	116.8°	122.6°
C3	C4	C5	H4	117.8°	118.7°
C3	C4	O4	HO4	68.9°	63.3°
C3	C4	C5	O5	13.5°	23.8°
C3	C4	C5	C6	134.7°	142.7°
C3	C4	C5	H5	106.4°	94.9°
H3	C3	O3	HO3	176.1°	61.2°
H3	C3	C4	O4	25.6°	0.0°
H3	C3	C4	C5	100.0°	118.7°
H3	C3	C4	H4	139.1°	122.6°
O4	C4	C5	H4	113.9°	122.6°
O4	C4	C5	O5	141.7°	142.5°
O4	C4	C5	C6	97.1°	98.6°
O4	C4	C5	H5	21.8°	23.8°
C5	C4	O4	HO4	54.0°	178.1°
C4	C5	O5	C6	118.7°	119.1°
C4	C5	O5	H5	122.4°	118.7°
C4	C5	C6	H5	122.4°	122.3°
C4	C5	C6	O6	153.6°	178.1°
C4	C5	C6	H61	85.6°	58.1°
C4	C5	C6	H62	33.6°	61.8°
H4	C4	O4	HO4	174.3°	59.3°
H4	C4	C5	O5	104.3°	94.9°
H4	C4	C5	C6	16.9°	24.0°
H4	C4	C5	H5	135.8°	146.4°
O5	C5	C6	H5	120.0°	122.2°
O5	C5	C6	O6	88.8°	66.5°
O5	C5	C6	H61	31.9°	173.6°
O5	C5	C6	H62	151.2°	53.6°
C5	C6	O6	H61	120.7°	119.9°
C5	C6	O6	H62	120.0°	120.0°
C5	C6	H61	H62	120.4°	119.9°
C5	C6	O6	P2	97.0°	180.0°
H5	C5	C6	O6	31.2°	55.8°
H5	C5	C6	H61	151.9°	64.2°
H5	C5	C6	H62	88.8°	175.8°
O6	C6	H61	H62	120.5°	120.1°
C6	O6	P2	O4P	14.7°	55.0°
C6	O6	P2	O5P	107.2°	175.0°
C6	O6	P2	O6P	135.7°	65.0°
H61	C6	O6	P2	142.3°	60.0°
H62	C6	O6	P2	23.0°	60.0°
O6	P2	O4P	O5P	121.5°	120.0°
O6	P2	O4P	O6P	120.5°	120.0°
O6	P2	O5P	O6P	118.9°	120.0°
O6	P2	O5P	HOP5	148.1°	180.0°
O6	P2	O6P	HOP6	35.5°	59.9°
O4P	P2	O5P	O6P	120.0°	120.0°
O4P	P2	O5P	HOP5	90.9°	60.0°
O4P	P2	O6P	HOP6	155.9°	180.0°
O5P	P2	O6P	HOP6	83.7°	60.0°
O6P	P2	O5P	HOP5	29.2°	60.0°

Definition date:	2000-04-06
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	1C81