IP5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O16	C6	sing	1.43Å	1.44Å
O16	HO16	sing	0.97Å	0.95Å
C6	C5	sing	1.54Å	1.55Å
C6	C1	sing	1.53Å	1.53Å
C6	H6	sing	1.10Å	1.10Å
C1	C2	sing	1.54Å	1.54Å
C1	O11	sing	1.43Å	1.42Å
C1	H1	sing	1.10Å	1.10Å
O11	P1	sing	1.61Å	1.60Å
P1	O21	doub	1.50Å	1.52Å
P1	O41	sing	1.62Å	1.52Å
P1	O31	sing	1.62Å	1.52Å
O41	HO41	sing	0.98Å	0.95Å
O31	HO31	sing	0.98Å	0.95Å
C5	O15	sing	1.43Å	1.44Å
C5	C4	sing	1.54Å	1.56Å
C5	H5	sing	1.10Å	1.10Å
O15	P5	sing	1.61Å	1.63Å
P5	O25	doub	1.50Å	1.52Å
P5	O45	sing	1.62Å	1.51Å
P5	O35	sing	1.62Å	1.49Å
O45	HO45	sing	0.98Å	0.95Å
O35	HO35	sing	0.98Å	0.95Å
C4	O14	sing	1.43Å	1.43Å
C4	C3	sing	1.54Å	1.54Å
C4	H4	sing	1.10Å	1.10Å
O14	P4	sing	1.61Å	1.62Å
P4	O24	doub	1.50Å	1.52Å
P4	O44	sing	1.62Å	1.45Å
P4	O34	sing	1.62Å	1.51Å
O44	HO44	sing	0.98Å	0.95Å
O34	HO34	sing	0.98Å	0.95Å
C3	O13	sing	1.43Å	1.43Å
C3	C2	sing	1.53Å	1.53Å
C3	H3	sing	1.10Å	1.10Å
O13	P3	sing	1.61Å	1.61Å
P3	O33	doub	1.50Å	1.50Å
P3	O23	sing	1.62Å	1.50Å
P3	O43	sing	1.62Å	1.52Å
O43	HO43	sing	0.98Å	0.95Å
O23	HO23	sing	0.98Å	0.95Å
C2	O12	sing	1.43Å	1.45Å
C2	H2	sing	1.10Å	1.10Å
O12	P2	sing	1.61Å	1.59Å
P2	O32	doub	1.50Å	1.49Å
P2	O42	sing	1.62Å	1.49Å
P2	O22	sing	1.62Å	1.53Å
O22	HO22	sing	0.98Å	0.95Å
O42	HO42	sing	0.98Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	O16	HO16	109.5°	106.2°
O16	C6	C5	109.3°	109.8°
O16	C6	C1	109.6°	108.2°
O16	C6	H6	109.6°	107.6°
C5	C6	C1	109.9°	113.0°
C5	C6	H6	109.3°	108.9°
C6	C5	O15	110.0°	109.7°
C6	C5	C4	114.5°	113.5°
C6	C5	H5	105.7°	108.2°
C1	C6	H6	109.1°	109.1°
C6	C1	C2	110.2°	111.2°
C6	C1	O11	105.6°	108.8°
C6	C1	H1	112.4°	110.4°
C2	C1	O11	111.8°	110.8°
C2	C1	H1	106.2°	108.8°
C1	C2	C3	109.7°	113.0°
C1	C2	O12	110.5°	109.1°
C1	C2	H2	107.9°	108.9°
O11	C1	H1	110.7°	106.7°
C1	O11	P1	123.9°	118.2°
O11	P1	O21	108.2°	115.2°
O11	P1	O41	100.9°	103.8°
O11	P1	O31	101.4°	102.6°
O21	P1	O41	110.5°	115.3°
O21	P1	O31	116.0°	114.9°
O41	P1	O31	117.6°	103.3°
P1	O41	HO41	109.5°	118.9°
P1	O31	HO31	109.5°	119.0°
O15	C5	C4	109.8°	109.8°
O15	C5	H5	110.7°	107.0°
C5	O15	P5	125.8°	118.1°
C4	C5	H5	105.9°	108.4°
C5	C4	O14	111.2°	108.7°
C5	C4	C3	109.6°	112.9°
C5	C4	H4	106.5°	109.0°
O15	P5	O25	98.8°	115.2°
O15	P5	O45	109.7°	103.9°
O15	P5	O35	103.7°	102.5°
O25	P5	O45	113.7°	115.3°
O25	P5	O35	109.4°	115.0°
O45	P5	O35	119.1°	103.3°
P5	O45	HO45	109.5°	118.9°
P5	O35	HO35	109.5°	118.9°
O14	C4	C3	103.4°	109.3°
O14	C4	H4	112.4°	107.8°
C4	O14	P4	122.1°	118.1°
C3	C4	H4	113.9°	109.0°
C4	C3	O13	107.6°	109.8°
C4	C3	C2	111.4°	111.1°
C4	C3	H3	110.7°	110.4°
O14	P4	O24	104.0°	115.2°
O14	P4	O44	103.3°	103.9°
O14	P4	O34	112.1°	102.5°
O24	P4	O44	118.5°	115.3°
O24	P4	O34	109.9°	115.0°
O44	P4	O34	108.8°	103.3°
P4	O44	HO44	109.5°	118.9°
P4	O34	HO34	109.5°	119.0°
O13	C3	C2	112.9°	109.9°
O13	C3	H3	109.2°	106.7°
C3	O13	P3	122.0°	118.2°
C2	C3	H3	105.2°	108.8°
C3	C2	O12	107.2°	110.3°
C3	C2	H2	111.1°	108.9°
O13	P3	O33	106.3°	115.2°
O13	P3	O23	105.2°	102.6°
O13	P3	O43	105.4°	103.8°
O33	P3	O23	109.8°	115.0°
O33	P3	O43	115.8°	115.3°
O23	P3	O43	113.4°	103.3°
P3	O23	HO23	109.5°	118.9°
P3	O43	HO43	109.5°	118.9°
O12	C2	H2	110.3°	106.6°
C2	O12	P2	123.9°	118.1°
O12	P2	O32	109.2°	115.2°
O12	P2	O42	100.5°	102.5°
O12	P2	O22	114.8°	103.8°
O32	P2	O42	118.9°	115.0°
O32	P2	O22	108.8°	115.3°
O42	P2	O22	104.7°	103.3°
P2	O42	HO42	109.5°	118.9°
P2	O22	HO22	109.5°	118.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O16	C6	C5	C1	120.3°	121.0°
O16	C6	C5	H6	120.0°	117.6°
O16	C6	C1	H6	120.0°	116.9°
O16	C6	C1	C2	177.4°	70.8°
O16	C6	C1	O11	61.7°	166.9°
O16	C6	C1	H1	59.1°	50.1°
O16	C6	C5	O15	62.7°	164.6°
O16	C6	C5	C4	173.1°	72.2°
O16	C6	C5	H5	56.9°	48.1°
HO16	O16	C6	C5	4.0°	17.8°
HO16	O16	C6	C1	116.4°	141.6°
HO16	O16	C6	H6	123.9°	100.7°
C5	C6	C1	H6	119.8°	121.3°
C5	C6	C1	C2	57.2°	51.1°
C5	C6	C1	O11	178.1°	71.3°
C5	C6	C1	H1	61.0°	172.0°
C6	C5	O15	C4	126.9°	125.4°
C6	C5	O15	H5	116.5°	117.2°
C6	C5	C4	H5	116.0°	120.2°
C6	C5	O15	P5	124.4°	60.1°
C6	C5	C4	O14	164.3°	72.6°
C6	C5	C4	C3	50.5°	48.9°
C6	C5	C4	H4	73.0°	170.1°
C6	C1	C2	O11	117.1°	121.2°
C6	C1	C2	H1	122.0°	121.8°
C6	C1	O11	H1	121.9°	119.1°
C6	C1	O11	P1	152.6°	180.0°
C1	C6	C5	O15	177.0°	74.5°
C1	C6	C5	C4	52.8°	48.7°
C1	C6	C5	H5	63.4°	169.1°
C6	C1	C2	C3	62.0°	54.9°
C6	C1	C2	O12	56.1°	177.9°
C6	C1	C2	H2	176.8°	66.1°
H6	C6	C1	C2	62.6°	172.4°
H6	C6	C1	O11	58.3°	50.0°
H6	C6	C1	H1	179.1°	66.7°
H6	C6	C5	O15	57.3°	46.9°
H6	C6	C5	C4	66.9°	170.1°
H6	C6	C5	H5	176.9°	69.5°
C2	C1	O11	H1	118.3°	118.3°
C2	C1	O11	P1	87.6°	57.4°
C1	C2	C3	C4	60.5°	55.1°
C1	C2	C3	O13	178.4°	66.7°
C1	C2	C3	O12	120.1°	122.3°
C1	C2	C3	H2	119.2°	121.1°
C1	C2	C3	H3	59.5°	176.8°
C1	C2	O12	H2	119.2°	117.4°
C1	C2	O12	P2	104.4°	180.0°
C1	O11	P1	O21	44.9°	60.0°
C1	O11	P1	O41	71.2°	67.0°
C1	O11	P1	O31	167.4°	174.4°
O11	C1	C2	C3	179.1°	66.3°
O11	C1	C2	O12	61.0°	56.7°
O11	C1	C2	H2	59.7°	172.7°
H1	C1	O11	P1	30.7°	61.0°
H1	C1	C2	C3	60.0°	176.7°
H1	C1	C2	O12	178.1°	60.3°
H1	C1	C2	H2	61.2°	55.7°
O11	P1	O21	O41	109.7°	121.0°
O11	P1	O21	O31	113.1°	119.0°
O11	P1	O41	O31	109.2°	106.8°
O11	P1	O41	HO41	120.7°	175.8°
O11	P1	O31	HO31	61.1°	173.8°
O21	P1	O41	O31	136.4°	126.3°
O21	P1	O41	HO41	124.9°	48.8°
O21	P1	O31	HO31	55.9°	48.1°
O41	P1	O31	HO31	170.0°	78.4°
O31	P1	O41	HO41	11.5°	77.4°
O15	C5	C4	H5	119.6°	116.6°
C5	O15	P5	O25	93.8°	60.0°
C5	O15	P5	O45	147.1°	67.0°
C5	O15	P5	O35	18.8°	174.4°
O15	C5	C4	O14	71.4°	164.2°
O15	C5	C4	C3	174.9°	74.3°
O15	C5	C4	H4	51.3°	47.0°
C4	C5	O15	P5	108.7°	174.5°
C5	C4	O14	C3	117.5°	123.7°
C5	C4	O14	H4	119.2°	118.0°
C5	C4	C3	H4	119.1°	121.2°
C5	C4	O14	P4	124.6°	180.0°
C5	C4	C3	O13	177.8°	70.3°
C5	C4	C3	C2	53.7°	51.4°
C5	C4	C3	H3	63.0°	172.3°
H5	C5	O15	P5	7.9°	57.1°
H5	C5	C4	O14	48.2°	47.6°
H5	C5	C4	C3	65.5°	169.1°
H5	C5	C4	H4	170.9°	69.6°
O15	P5	O25	O45	116.1°	121.1°
O15	P5	O25	O35	108.0°	118.9°
O15	P5	O45	O35	119.2°	106.7°
O15	P5	O45	HO45	160.0°	175.8°
O15	P5	O35	HO35	19.0°	173.8°
O25	P5	O45	O35	131.2°	126.3°
O25	P5	O45	HO45	50.4°	48.8°
O25	P5	O35	HO35	123.7°	48.1°
O45	P5	O35	HO35	103.2°	78.4°
O35	P5	O45	HO45	80.8°	77.4°
O14	C4	C3	H4	122.2°	117.6°
C4	O14	P4	O24	163.5°	60.0°
C4	O14	P4	O44	72.1°	67.1°
C4	O14	P4	O34	44.8°	174.4°
O14	C4	C3	O13	63.5°	168.5°
O14	C4	C3	C2	172.3°	69.7°
O14	C4	C3	H3	55.7°	51.1°
C3	C4	O14	P4	117.8°	56.3°
C4	C3	O13	C2	123.3°	122.5°
C4	C3	O13	H3	120.2°	119.6°
C4	C3	C2	H3	120.0°	121.7°
C4	C3	O13	P3	147.7°	57.5°
C4	C3	C2	O12	59.6°	177.4°
C4	C3	C2	H2	179.8°	66.0°
H4	C4	O14	P4	5.4°	62.0°
H4	C4	C3	O13	58.7°	50.9°
H4	C4	C3	C2	65.5°	172.7°
H4	C4	C3	H3	177.9°	66.5°
O14	P4	O24	O44	113.9°	121.1°
O14	P4	O24	O34	120.2°	118.8°
O14	P4	O44	O34	119.3°	106.7°
O14	P4	O44	HO44	124.7°	175.8°
O14	P4	O34	HO34	159.5°	173.8°
O24	P4	O44	O34	126.4°	126.3°
O24	P4	O44	HO44	10.4°	48.8°
O24	P4	O34	HO34	85.4°	48.0°
O44	P4	O34	HO34	45.8°	78.5°
O34	P4	O44	HO44	116.0°	77.5°
O13	C3	C2	H3	118.9°	116.5°
C3	O13	P3	O33	61.6°	60.0°
C3	O13	P3	O23	178.0°	174.3°
C3	O13	P3	O43	61.9°	67.0°
O13	C3	C2	O12	61.6°	55.7°
O13	C3	C2	H2	59.1°	172.3°
C2	C3	O13	P3	89.0°	180.0°
C3	C2	O12	H2	121.2°	118.0°
C3	C2	O12	P2	136.0°	55.4°
H3	C3	O13	P3	27.5°	62.1°
H3	C3	C2	O12	179.5°	60.8°
H3	C3	C2	H2	59.8°	55.7°
O13	P3	O33	O23	113.3°	119.0°
O13	P3	O33	O43	116.7°	120.9°
O13	P3	O23	O43	114.7°	107.7°
O13	P3	O43	HO43	62.3°	175.7°
O13	P3	O23	HO23	94.1°	173.8°
O33	P3	O23	O43	131.3°	126.5°
O33	P3	O43	HO43	179.5°	48.8°
O33	P3	O23	HO23	151.9°	48.0°
O23	P3	O43	HO43	52.3°	77.5°
O43	P3	O23	HO23	20.6°	78.4°
C2	O12	P2	O32	105.0°	60.0°
C2	O12	P2	O42	129.2°	174.4°
C2	O12	P2	O22	17.5°	67.0°
H2	C2	O12	P2	14.8°	62.6°
O12	P2	O32	O42	114.4°	118.9°
O12	P2	O32	O22	126.0°	121.0°
O12	P2	O42	O22	119.3°	107.7°
O12	P2	O22	HO22	169.2°	175.8°
O12	P2	O42	HO42	5.3°	173.8°
O32	P2	O42	O22	121.8°	126.5°
O32	P2	O22	HO22	68.1°	48.8°
O32	P2	O42	HO42	113.7°	48.0°
O42	P2	O22	HO22	60.0°	77.5°
O22	P2	O42	HO42	124.6°	78.5°

Definition date:	2006-08-25
Last modified:	2021-03-13
Release status:	REL
Processing site:	EBI