3R3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3P	P	doub	1.48Å	1.55Å
O2P	P	sing	1.61Å	1.51Å
P	O5	sing	1.61Å	1.60Å
P	O1P	sing	1.61Å	1.53Å
O5	C5	sing	1.43Å	1.45Å
C5	C4	sing	1.53Å	1.50Å
O3	C3	sing	1.43Å	1.46Å
C4	C3	sing	1.55Å	1.53Å
C4	O4	sing	1.44Å	1.45Å
C3	C2	sing	1.55Å	1.53Å
O4	C1	sing	1.43Å	1.42Å
O1A	PA	doub	1.48Å	1.53Å
C2	C1	sing	1.54Å	1.53Å
C2	O2	sing	1.43Å	1.44Å
C1	O1	sing	1.43Å	1.44Å
O1	PA	sing	1.61Å	1.64Å
PA	N3A	sing	1.68Å	1.68Å
PA	O2A	sing	1.61Å	1.50Å
O3B	PB	doub	1.48Å	1.56Å
N3A	PB	sing	1.68Å	1.64Å
PB	O1B	sing	1.61Å	1.46Å
PB	O2B	sing	1.61Å	1.49Å
O1B	H1A	sing	0.97Å	0.95Å
O2B	H2A	sing	0.97Å	0.95Å
N3A	H3A	sing	1.01Å	1.00Å
O2A	H4A	sing	0.97Å	0.95Å
C1	H1	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C2	H2	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å
C5	H51	sing	1.09Å	1.10Å
C5	H52	sing	1.09Å	1.10Å
O1P	H13	sing	0.97Å	0.95Å
O2P	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3P	P	O2P	118.7°	109.5°
O3P	P	O5	100.4°	109.4°
O3P	P	O1P	111.4°	109.5°
O2P	P	O5	112.0°	109.4°
O2P	P	O1P	107.7°	109.5°
P	O2P	H14	109.5°	114.0°
O5	P	O1P	105.8°	109.5°
P	O5	C5	115.1°	123.0°
P	O1P	H13	109.5°	114.0°
O5	C5	C4	102.5°	109.5°
O5	C5	H51	111.2°	109.5°
O5	C5	H52	111.2°	109.5°
C5	C4	C3	115.2°	110.3°
C5	C4	O4	111.5°	110.4°
C5	C4	H4	106.8°	110.3°
C4	C5	H51	111.2°	109.5°
C4	C5	H52	111.2°	109.4°
O3	C3	C4	104.7°	111.2°
O3	C3	C2	113.5°	111.1°
O3	C3	H3	112.2°	111.0°
C3	O3	HO3	109.5°	114.1°
C3	C4	O4	109.0°	105.2°
C4	C3	C2	103.7°	101.0°
C3	C4	H4	106.4°	110.3°
C4	C3	H3	111.1°	111.1°
C4	O4	C1	107.8°	110.0°
O4	C4	H4	107.5°	110.3°
C3	C2	C1	103.2°	102.2°
C3	C2	O2	112.0°	110.8°
C2	C3	H3	111.1°	111.0°
C3	C2	H2	110.3°	110.9°
O4	C1	C2	107.0°	107.7°
O4	C1	O1	106.1°	109.8°
O4	C1	H1	112.5°	109.8°
O1A	PA	O1	106.6°	109.5°
O1A	PA	N3A	108.1°	109.5°
O1A	PA	O2A	119.6°	109.4°
C1	C2	O2	109.0°	110.8°
C2	C1	O1	107.8°	109.8°
C2	C1	H1	110.8°	109.8°
C1	C2	H2	110.3°	111.0°
O2	C2	H2	111.7°	110.9°
C2	O2	HO2	109.5°	114.0°
C1	O1	PA	125.8°	123.0°
O1	C1	H1	112.3°	109.8°
O1	PA	N3A	105.7°	109.5°
O1	PA	O2A	103.9°	109.5°
N3A	PA	O2A	111.9°	109.5°
PA	N3A	PB	131.1°	111.1°
PA	N3A	H3A	103.8°	111.0°
PA	O2A	H4A	109.5°	113.9°
O3B	PB	N3A	107.1°	109.4°
O3B	PB	O1B	108.9°	109.5°
O3B	PB	O2B	112.7°	109.5°
N3A	PB	O1B	103.6°	109.5°
N3A	PB	O2B	106.8°	109.5°
PB	N3A	H3A	103.8°	111.0°
O1B	PB	O2B	116.9°	109.5°
PB	O1B	H1A	109.5°	114.0°
PB	O2B	H2A	109.5°	114.0°
H51	C5	H52	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3P	P	O2P	O5	116.3°	119.9°
O3P	P	O2P	O1P	127.8°	120.0°
O3P	P	O5	O1P	115.9°	120.0°
O3P	P	O5	C5	57.7°	55.0°
O3P	P	O1P	H13	0.0°	180.0°
O3P	P	O2P	H14	0.0°	60.1°
O2P	P	O5	O1P	117.1°	120.1°
O2P	P	O5	C5	175.4°	175.0°
O2P	P	O1P	H13	131.9°	60.0°
P	O5	C5	C4	159.7°	180.0°
P	O5	C5	H51	40.8°	60.0°
P	O5	C5	H52	81.5°	60.0°
O5	P	O1P	H13	108.2°	60.0°
O5	P	O2P	H14	116.2°	180.0°
O1P	P	O5	C5	58.2°	65.0°
O1P	P	O2P	H14	127.8°	60.0°
O5	C5	C4	H51	118.9°	120.0°
O5	C5	C4	H52	118.9°	120.0°
O5	C5	C4	C3	154.1°	175.0°
O5	C5	C4	O4	80.9°	69.2°
O5	C5	C4	H4	36.2°	52.9°
O5	C5	H51	H52	123.3°	120.0°
C5	C4	C3	O3	121.9°	86.7°
C5	C4	C3	O4	126.2°	119.0°
C5	C4	C3	H4	118.1°	122.1°
C5	C4	O4	H4	116.8°	122.1°
C5	C4	C3	C2	118.9°	155.4°
C5	C4	O4	C1	140.7°	143.4°
C5	C4	C3	H3	0.5°	37.5°
C4	C5	H51	H52	123.2°	119.9°
O3	C3	C4	C2	119.2°	118.0°
O3	C3	C4	H3	121.3°	124.2°
O3	C3	C4	O4	111.9°	154.3°
O3	C3	C2	H3	127.6°	124.1°
O3	C3	C2	C1	90.5°	152.0°
O3	C3	C2	O2	26.5°	33.9°
O3	C3	C4	H4	3.8°	35.5°
O3	C3	C2	H2	151.7°	89.7°
C3	C4	O4	H4	114.9°	118.9°
C4	C3	C2	H3	119.4°	117.9°
C3	C4	O4	C1	12.4°	24.4°
C4	C3	C2	C1	22.5°	34.0°
C4	C3	C2	O2	139.5°	84.1°
C4	C3	O3	HO3	180.0°	180.0°
C4	C3	C2	H2	95.3°	152.3°
C3	C4	C5	H51	87.0°	55.0°
C3	C4	C5	H52	35.3°	65.0°
O4	C4	C3	C2	7.3°	36.4°
C4	O4	C1	C2	27.3°	1.7°
C4	O4	C1	O1	87.5°	117.8°
C4	O4	C1	H1	149.3°	121.3°
O4	C4	C3	H3	126.8°	81.5°
O4	C4	C5	H51	38.0°	170.7°
O4	C4	C5	H52	160.2°	50.8°
C3	C2	C1	O4	31.2°	21.3°
C3	C2	C1	O2	119.2°	118.1°
C3	C2	C1	H2	117.8°	118.2°
C3	C2	O2	H2	124.4°	123.6°
C3	C2	C1	O1	82.5°	140.8°
C3	C2	C1	H1	154.2°	98.3°
C2	C3	C4	H4	123.0°	82.5°
C2	C3	O3	HO3	67.6°	68.4°
C3	C2	O2	HO2	180.0°	180.0°
O4	C1	C2	O1	113.7°	119.6°
O4	C1	C2	H1	123.0°	119.6°
O4	C1	C2	O2	150.4°	96.8°
O4	C1	O1	H1	123.3°	120.9°
O4	C1	O1	PA	76.7°	91.6°
C1	O4	C4	H4	102.6°	94.5°
O4	C1	C2	H2	86.6°	139.5°
O1A	PA	O1	C1	94.7°	50.0°
O1A	PA	O1	N3A	114.8°	120.0°
O1A	PA	O1	O2A	127.3°	120.0°
O1A	PA	N3A	O2A	133.7°	120.0°
O1A	PA	N3A	PB	158.5°	60.0°
O1A	PA	N3A	H3A	35.7°	176.0°
O1A	PA	O2A	H4A	0.0°	180.0°
C1	C2	O2	H2	122.1°	123.7°
C2	C1	O1	H1	122.3°	120.9°
C2	C1	O1	PA	169.0°	150.2°
C1	C2	C3	H3	141.9°	83.9°
C1	C2	O2	HO2	66.5°	67.3°
O2	C2	C1	O1	36.7°	22.7°
O2	C2	C1	H1	86.6°	143.6°
O2	C2	C3	H3	101.0°	158.0°
C1	O1	PA	N3A	150.5°	70.0°
C1	O1	PA	O2A	32.6°	170.0°
O1	C1	C2	H2	159.7°	101.0°
O1	PA	N3A	O2A	112.5°	120.0°
O1	PA	N3A	PB	44.6°	180.0°
O1	PA	N3A	H3A	78.1°	56.0°
O1	PA	O2A	H4A	118.7°	60.0°
PA	O1	C1	H1	46.6°	29.3°
PA	N3A	PB	O3B	64.9°	60.0°
PA	N3A	PB	H3A	122.8°	124.0°
PA	N3A	PB	O1B	179.9°	60.0°
PA	N3A	PB	O2B	56.2°	180.0°
N3A	PA	O2A	H4A	127.8°	60.0°
O2A	PA	N3A	PB	67.8°	60.0°
O2A	PA	N3A	H3A	169.4°	64.0°
O3B	PB	N3A	O1B	115.0°	120.0°
O3B	PB	N3A	O2B	121.0°	120.0°
O3B	PB	O1B	O2B	129.2°	120.0°
O3B	PB	O1B	H1A	0.0°	179.9°
O3B	PB	O2B	H2A	0.0°	60.0°
O3B	PB	N3A	H3A	57.9°	64.0°
N3A	PB	O1B	O2B	117.2°	120.0°
N3A	PB	O1B	H1A	113.7°	60.0°
N3A	PB	O2B	H2A	117.3°	180.0°
O1B	PB	O2B	H2A	127.3°	60.0°
O1B	PB	N3A	H3A	57.1°	176.0°
O2B	PB	O1B	H1A	129.2°	60.1°
O2B	PB	N3A	H3A	178.9°	56.0°
H1	C1	C2	H2	36.4°	19.9°
H4	C4	C3	H3	117.6°	159.7°
H4	C4	C5	H51	155.1°	67.2°
H4	C4	C5	H52	82.6°	172.8°
H3	C3	O3	HO3	59.4°	55.7°
H3	C3	C2	H2	24.1°	34.4°
H2	C2	O2	HO2	55.6°	56.4°

Release date:	2015-12-23
Definition date:	2014-10-13
Last modified:	2020-07-17
Release status:	REL
Processing site:	EBI
Derived from:	4WN3