IR8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C3	sing	1.43Å	1.44Å
C3	C2	sing	1.54Å	1.53Å
C3	C4	sing	1.55Å	1.52Å
O3P	P1	doub	1.48Å	1.51Å
C1	C2	sing	1.53Å	1.53Å
C1	O1	sing	1.43Å	1.43Å
C2	N1	sing	1.47Å	1.48Å
O4	C4	sing	1.43Å	1.43Å
C4	C5	sing	1.55Å	1.52Å
O1	P1	sing	1.61Å	1.61Å
P1	O1P	sing	1.61Å	1.51Å
P1	O2P	sing	1.61Å	1.51Å
N1	C5	sing	1.48Å	1.48Å
C5	C6	sing	1.53Å	1.52Å
C6	O6	sing	1.43Å	1.43Å
O6	P2	sing	1.61Å	1.61Å
O5P	P2	doub	1.48Å	1.51Å
P2	O6P	sing	1.61Å	1.51Å
P2	O4P	sing	1.61Å	1.51Å
O1P	H1	sing	0.97Å	0.95Å
O2P	H2	sing	0.97Å	0.95Å
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
O3	H7	sing	0.97Å	0.95Å
N1	H8	sing	1.01Å	1.00Å
C5	H10	sing	1.09Å	1.10Å
C4	H11	sing	1.09Å	1.10Å
O4	H12	sing	0.97Å	0.95Å
C6	H13	sing	1.09Å	1.10Å
C6	H14	sing	1.09Å	1.10Å
O4P	H15	sing	0.97Å	0.95Å
O6P	H16	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C3	C2	113.0°	110.7°
O3	C3	C4	112.3°	110.7°
O3	C3	H6	109.7°	110.8°
C3	O3	H7	109.5°	114.0°
C2	C3	C4	104.5°	103.0°
C3	C2	C1	114.4°	109.9°
C3	C2	N1	105.9°	107.3°
C3	C2	H5	108.8°	110.1°
C2	C3	H6	108.5°	110.7°
C3	C4	O4	110.7°	111.0°
C3	C4	C5	106.2°	101.6°
C4	C3	H6	108.6°	110.7°
C3	C4	H11	109.9°	111.0°
O3P	P1	O1	109.1°	109.5°
O3P	P1	O1P	110.5°	109.4°
O3P	P1	O2P	110.8°	109.4°
C2	C1	O1	108.6°	109.5°
C1	C2	N1	109.6°	109.8°
C2	C1	H3	109.7°	109.5°
C2	C1	H4	109.7°	109.5°
C1	C2	H5	108.7°	109.9°
C1	O1	P1	121.5°	123.0°
O1	C1	H3	109.7°	109.5°
O1	C1	H4	109.7°	109.4°
C2	N1	C5	108.7°	108.6°
N1	C2	H5	109.3°	109.9°
C2	N1	H8	109.6°	111.0°
O4	C4	C5	108.8°	111.0°
O4	C4	H11	111.2°	110.9°
C4	O4	H12	109.5°	114.0°
C4	C5	N1	107.2°	104.8°
C4	C5	C6	112.2°	110.4°
C4	C5	H10	109.1°	110.4°
C5	C4	H11	109.9°	111.0°
O1	P1	O1P	108.5°	109.5°
O1	P1	O2P	108.3°	109.5°
O1P	P1	O2P	109.6°	109.5°
P1	O1P	H1	109.5°	114.0°
P1	O2P	H2	109.5°	114.0°
N1	C5	C6	109.7°	110.4°
C5	N1	H8	109.7°	111.0°
N1	C5	H10	109.6°	110.4°
C5	C6	O6	108.5°	109.5°
C6	C5	H10	109.1°	110.4°
C5	C6	H13	109.7°	109.5°
C5	C6	H14	109.7°	109.5°
C6	O6	P2	122.8°	123.0°
O6	C6	H13	109.7°	109.4°
O6	C6	H14	109.7°	109.4°
O6	P2	O5P	108.8°	109.4°
O6	P2	O6P	110.4°	109.5°
O6	P2	O4P	106.4°	109.4°
O5P	P2	O6P	111.5°	109.5°
O5P	P2	O4P	109.0°	109.5°
O6P	P2	O4P	110.6°	109.5°
P2	O6P	H16	109.5°	114.0°
P2	O4P	H15	109.5°	114.0°
H3	C1	H4	109.5°	109.5°
H13	C6	H14	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C3	C2	C4	122.3°	118.3°
O3	C3	C2	H6	121.9°	123.3°
O3	C3	C4	H6	121.5°	123.2°
O3	C3	C2	C1	28.9°	23.3°
O3	C3	C2	N1	149.8°	96.0°
O3	C3	C4	O4	30.1°	35.4°
O3	C3	C4	C5	148.0°	82.7°
O3	C3	C2	H5	92.8°	144.4°
O3	C3	C4	H11	93.1°	159.2°
C2	C3	C4	H6	115.6°	118.4°
C3	C2	C1	N1	118.8°	117.8°
C3	C2	C1	H5	121.8°	121.2°
C3	C2	C1	O1	172.7°	175.7°
C3	C2	N1	H5	117.0°	119.6°
C2	C3	C4	O4	92.7°	153.7°
C2	C3	C4	C5	25.2°	35.6°
C3	C2	N1	C5	19.5°	0.9°
C3	C2	C1	H3	67.4°	64.3°
C3	C2	C1	H4	52.8°	55.8°
C2	C3	O3	H7	180.0°	180.0°
C3	C2	N1	H8	100.4°	121.3°
C2	C3	C4	H11	144.0°	82.4°
C4	C3	C2	C1	93.4°	141.7°
C4	C3	C2	N1	27.5°	22.3°
C3	C4	O4	C5	116.3°	112.3°
C3	C4	O4	H11	122.5°	123.8°
C3	C4	C5	H11	118.8°	118.0°
C3	C4	C5	N1	13.8°	37.0°
C3	C4	C5	C6	106.7°	155.9°
C4	C3	C2	H5	144.9°	97.2°
C4	C3	O3	H7	62.1°	66.5°
C3	C4	C5	H10	132.4°	81.8°
C3	C4	O4	H12	180.0°	61.4°
O3P	P1	O1	C1	27.8°	55.1°
O3P	P1	O1	O1P	120.4°	120.0°
O3P	P1	O1	O2P	120.7°	119.9°
O3P	P1	O1P	O2P	122.4°	120.0°
O3P	P1	O1P	H1	0.0°	60.0°
O3P	P1	O2P	H2	0.0°	180.0°
C2	C1	O1	H3	119.9°	120.1°
C2	C1	O1	H4	119.8°	120.0°
C1	C2	N1	H5	119.1°	121.0°
C2	C1	O1	P1	173.5°	180.0°
C1	C2	N1	C5	104.4°	118.4°
C2	C1	H3	H4	120.4°	120.1°
C1	C2	C3	H6	150.9°	99.9°
C1	C2	N1	H8	135.7°	119.3°
O1	C1	C2	N1	53.9°	66.5°
C1	O1	P1	O1P	148.2°	175.0°
C1	O1	P1	O2P	92.9°	64.9°
O1	C1	H3	H4	120.4°	119.9°
O1	C1	C2	H5	65.5°	54.5°
C2	N1	C5	C4	3.6°	24.1°
C2	N1	C5	H8	119.9°	122.2°
C2	N1	C5	C6	125.6°	142.9°
N1	C2	C1	H3	173.8°	53.5°
N1	C2	C1	H4	65.9°	173.5°
N1	C2	C3	H6	88.3°	140.7°
C2	N1	C5	H10	114.6°	94.8°
O4	C4	C5	H11	122.0°	123.8°
O4	C4	C5	N1	105.4°	155.1°
O4	C4	C5	C6	134.2°	86.0°
O4	C4	C3	H6	151.7°	87.8°
O4	C4	C5	H10	13.3°	36.3°
C4	C5	N1	C6	122.0°	118.8°
C4	C5	N1	H10	118.3°	118.9°
C4	C5	C6	H10	121.0°	122.3°
C4	C5	C6	O6	177.6°	178.1°
C5	C4	C3	H6	90.4°	154.0°
C4	C5	N1	H8	116.2°	98.2°
C5	C4	O4	H12	63.7°	173.7°
C4	C5	C6	H13	62.6°	58.2°
C4	C5	C6	H14	57.8°	61.9°
O1	P1	O1P	O2P	118.0°	120.1°
O1	P1	O1P	H1	119.6°	180.0°
O1	P1	O2P	H2	119.7°	60.1°
P1	O1	C1	H3	66.6°	59.9°
P1	O1	C1	H4	53.7°	60.0°
O1P	P1	O2P	H2	122.2°	60.0°
O2P	P1	O1P	H1	122.4°	60.0°
N1	C5	C6	H10	120.1°	122.3°
N1	C5	C6	O6	58.6°	66.5°
C5	N1	C2	H5	136.5°	120.6°
N1	C5	C4	H11	132.6°	81.0°
N1	C5	C6	H13	178.5°	173.5°
N1	C5	C6	H14	61.2°	53.5°
C5	C6	O6	H13	119.9°	120.0°
C5	C6	O6	H14	119.8°	120.1°
C5	C6	O6	P2	115.2°	180.0°
C6	C5	N1	H8	5.8°	20.6°
C6	C5	C4	H11	12.2°	37.8°
C5	C6	H13	H14	120.5°	120.1°
C6	O6	P2	O5P	41.5°	55.1°
C6	O6	P2	O6P	81.2°	65.0°
C6	O6	P2	O4P	158.8°	175.0°
O6	C6	C5	H10	61.4°	55.8°
O6	C6	H13	H14	120.4°	119.9°
O6	P2	O5P	O6P	122.0°	120.0°
O6	P2	O5P	O4P	115.6°	119.9°
O6	P2	O6P	O4P	117.4°	120.0°
P2	O6	C6	H13	4.7°	60.0°
P2	O6	C6	H14	125.0°	59.9°
O6	P2	O4P	H15	117.1°	180.0°
O6	P2	O6P	H16	121.1°	60.0°
O5P	P2	O6P	O4P	121.5°	120.0°
O5P	P2	O4P	H15	0.0°	60.1°
O5P	P2	O6P	H16	0.0°	180.0°
O6P	P2	O4P	H15	123.0°	60.0°
O4P	P2	O6P	H16	121.5°	60.0°
H3	C1	C2	H5	54.3°	174.5°
H4	C1	C2	H5	174.6°	65.4°
H5	C2	C3	H6	29.1°	21.2°
H5	C2	N1	H8	16.6°	1.7°
H6	C3	O3	H7	58.8°	56.7°
H6	C3	C4	H11	28.4°	36.0°
H8	N1	C5	H10	125.5°	142.9°
H10	C5	C4	H11	108.8°	160.1°
H10	C5	C6	H13	58.4°	64.2°
H10	C5	C6	H14	178.7°	175.8°
H11	C4	O4	H12	57.5°	62.4°

Release date:	2017-12-27
Definition date:	2017-04-26
Last modified:	2017-12-22
Release status:	REL
Processing site:	RCSB
Derived from:	5VJN