IP2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.53Å
C1	C6	sing	1.53Å	1.56Å
C1	O1	sing	1.43Å	1.44Å
C1	H1	sing	1.09Å	1.11Å
C2	C3	sing	1.53Å	1.56Å
C2	O2	sing	1.43Å	1.43Å
C2	H2	sing	1.09Å	1.11Å
C3	C4	sing	1.53Å	1.55Å
C3	O3	sing	1.43Å	1.41Å
C3	H3	sing	1.09Å	1.11Å
C4	C5	sing	1.53Å	1.55Å
C4	O4	sing	1.43Å	1.47Å
C4	H4	sing	1.09Å	1.12Å
C5	C6	sing	1.53Å	1.57Å
C5	O5	sing	1.43Å	1.45Å
C5	H5	sing	1.09Å	1.11Å
C6	O6	sing	1.43Å	1.43Å
C6	H6	sing	1.09Å	1.12Å
O1	HO1	sing	0.97Å	0.95Å
O2	HO2	sing	0.97Å	0.95Å
O3	HO3	sing	0.97Å	0.95Å
O4	P4	sing	1.61Å	1.67Å
O5	P5	sing	1.61Å	1.64Å
O6	HO6	sing	0.97Å	0.95Å
P4	O41	doub	1.48Å	1.63Å
P4	O42	sing	1.61Å	1.63Å
P4	O43	sing	1.61Å	1.62Å
O42	HO42	sing	0.97Å	0.95Å
O43	HO43	sing	0.97Å	0.95Å
P5	O51	doub	1.48Å	1.62Å
P5	O52	sing	1.61Å	1.63Å
P5	O53	sing	1.61Å	1.63Å
O52	HO52	sing	0.97Å	0.95Å
O53	HO53	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	112.2°	109.5°
C2	C1	O1	100.4°	109.5°
C2	C1	H1	113.9°	109.5°
C1	C2	C3	119.0°	109.5°
C1	C2	O2	102.6°	109.5°
C1	C2	H2	108.7°	109.5°
C6	C1	O1	110.5°	109.5°
C6	C1	H1	104.5°	109.5°
C1	C6	C5	118.3°	109.5°
C1	C6	O6	112.0°	109.5°
C1	C6	H6	101.0°	109.4°
O1	C1	H1	115.6°	109.4°
C1	O1	HO1	100.4°	106.9°
C3	C2	O2	111.5°	109.4°
C3	C2	H2	99.2°	109.5°
C2	C3	C4	115.8°	109.5°
C2	C3	O3	103.6°	109.5°
C2	C3	H3	107.7°	109.4°
O2	C2	H2	116.5°	109.4°
C2	O2	HO2	102.6°	106.8°
C4	C3	O3	103.8°	109.5°
C4	C3	H3	107.4°	109.4°
C3	C4	C5	112.2°	109.5°
C3	C4	O4	113.9°	109.5°
C3	C4	H4	105.3°	109.5°
O3	C3	H3	119.0°	109.5°
C3	O3	HO3	103.6°	106.8°
C5	C4	O4	112.4°	109.5°
C5	C4	H4	107.1°	109.5°
C4	C5	C6	112.7°	109.5°
C4	C5	O5	102.9°	109.5°
C4	C5	H5	110.7°	109.5°
O4	C4	H4	105.1°	109.5°
C4	O4	P4	130.1°	106.8°
C6	C5	O5	106.5°	109.5°
C6	C5	H5	107.5°	109.4°
C5	C6	O6	109.8°	109.5°
C5	C6	H6	103.7°	109.5°
O5	C5	H5	116.6°	109.4°
C5	O5	P5	129.7°	106.8°
O6	C6	H6	111.3°	109.5°
C6	O6	HO6	111.9°	106.8°
O4	P4	O41	112.0°	109.5°
O4	P4	O42	111.2°	109.5°
O4	P4	O43	110.7°	109.5°
O5	P5	O51	106.4°	109.5°
O5	P5	O52	109.6°	109.5°
O5	P5	O53	112.3°	109.5°
O41	P4	O42	109.1°	109.4°
O41	P4	O43	108.0°	109.5°
O42	P4	O43	105.6°	109.4°
P4	O42	HO42	111.2°	106.8°
P4	O43	HO43	110.6°	106.8°
O51	P5	O52	108.7°	109.4°
O51	P5	O53	110.0°	109.5°
O52	P5	O53	109.8°	109.5°
P5	O52	HO52	109.6°	106.8°
P5	O53	HO53	112.3°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	O1	111.1°	120.1°
C2	C1	C6	H1	123.9°	120.0°
C2	C1	O1	H1	123.0°	120.0°
C1	C2	C3	O2	119.1°	120.0°
C1	C2	C3	H2	117.5°	120.0°
C1	C2	O2	H2	118.6°	120.0°
C1	C2	C3	C4	39.6°	59.9°
C1	C2	C3	O3	152.5°	180.0°
C1	C2	C3	H3	80.7°	60.0°
C2	C1	C6	C5	37.9°	59.9°
C2	C1	C6	O6	167.1°	180.0°
C2	C1	C6	H6	74.4°	60.0°
C2	C1	O1	HO1	180.0°	59.9°
C1	C2	O2	HO2	180.0°	60.0°
C6	C1	O1	H1	118.4°	120.0°
C6	C1	C2	C3	33.6°	60.0°
C6	C1	C2	O2	90.0°	60.0°
C6	C1	C2	H2	146.0°	180.0°
C1	C6	C5	C4	46.9°	59.9°
C1	C6	C5	O6	130.2°	120.0°
C1	C6	C5	H6	110.8°	119.9°
C1	C6	C5	O5	159.0°	180.0°
C1	C6	C5	H5	75.4°	60.1°
C1	C6	O6	H6	112.3°	119.9°
C6	C1	O1	HO1	61.5°	180.0°
C1	C6	O6	HO6	180.0°	60.0°
O1	C1	C2	C3	150.9°	180.0°
O1	C1	C2	O2	27.3°	60.0°
O1	C1	C2	H2	96.7°	59.9°
O1	C1	C6	C5	149.0°	180.0°
O1	C1	C6	O6	81.8°	59.9°
O1	C1	C6	H6	36.7°	60.0°
H1	C1	C2	C3	84.9°	60.0°
H1	C1	C2	O2	151.4°	180.0°
H1	C1	C2	H2	27.4°	60.0°
H1	C1	C6	C5	86.1°	60.0°
H1	C1	C6	O6	43.1°	60.0°
H1	C1	C6	H6	161.7°	180.0°
H1	C1	O1	HO1	57.0°	60.0°
C3	C2	O2	H2	112.9°	120.0°
C2	C3	C4	O3	112.8°	120.0°
C2	C3	C4	H3	120.3°	119.9°
C2	C3	O3	H3	119.3°	120.0°
C2	C3	C4	C5	46.0°	59.9°
C2	C3	C4	O4	175.2°	180.0°
C2	C3	C4	H4	70.2°	60.0°
C3	C2	O2	HO2	51.5°	180.0°
C2	C3	O3	HO3	180.0°	60.0°
O2	C2	C3	C4	79.6°	60.1°
O2	C2	C3	O3	33.4°	60.0°
O2	C2	C3	H3	160.2°	180.0°
H2	C2	C3	C4	157.0°	180.0°
H2	C2	C3	O3	90.0°	59.9°
H2	C2	C3	H3	36.8°	60.1°
H2	C2	O2	HO2	61.4°	60.0°
C4	C3	O3	H3	119.3°	120.0°
C3	C4	C5	O4	130.0°	120.0°
C3	C4	C5	H4	115.1°	120.0°
C3	C4	O4	H4	114.8°	120.0°
C3	C4	C5	C6	48.9°	60.0°
C3	C4	C5	O5	163.2°	180.0°
C3	C4	C5	H5	71.5°	60.0°
C4	C3	O3	HO3	58.6°	179.9°
C3	C4	O4	P4	114.9°	120.0°
O3	C3	C4	C5	158.8°	180.0°
O3	C3	C4	O4	72.0°	60.0°
O3	C3	C4	H4	42.6°	60.0°
H3	C3	C4	C5	74.4°	60.0°
H3	C3	C4	O4	54.8°	60.1°
H3	C3	C4	H4	169.4°	180.0°
H3	C3	O3	HO3	60.6°	60.0°
C5	C4	O4	H4	116.2°	120.0°
C4	C5	C6	O5	112.1°	120.0°
C4	C5	C6	H5	122.3°	120.0°
C4	C5	O5	H5	121.4°	120.0°
C4	C5	C6	O6	177.1°	180.0°
C4	C5	C6	H6	63.9°	59.9°
C5	C4	O4	P4	116.0°	120.0°
C4	C5	O5	P5	114.3°	120.0°
O4	C4	C5	C6	178.9°	180.0°
O4	C4	C5	O5	66.8°	60.0°
O4	C4	C5	H5	58.5°	60.0°
C4	O4	P4	O41	18.4°	60.0°
C4	O4	P4	O42	104.0°	180.0°
C4	O4	P4	O43	139.0°	60.0°
H4	C4	C5	C6	66.2°	60.0°
H4	C4	C5	O5	48.1°	60.0°
H4	C4	C5	H5	173.4°	180.0°
H4	C4	O4	P4	0.1°	0.0°
C6	C5	O5	H5	119.9°	119.9°
C5	C6	O6	H6	114.2°	120.1°
C6	C5	O5	P5	126.9°	120.0°
C5	C6	O6	HO6	46.5°	180.0°
O5	C5	C6	O6	70.8°	60.0°
O5	C5	C6	H6	48.2°	60.1°
C5	O5	P5	O51	81.6°	60.0°
C5	O5	P5	O52	161.1°	180.0°
C5	O5	P5	O53	38.8°	60.0°
H5	C5	C6	O6	54.8°	60.0°
H5	C5	C6	H6	173.8°	180.0°
H5	C5	O5	P5	7.1°	0.0°
H6	C6	O6	HO6	67.7°	59.9°
O4	P4	O41	O42	123.6°	120.0°
O4	P4	O41	O43	122.1°	120.1°
O4	P4	O42	O43	120.1°	120.0°
O4	P4	O42	HO42	180.0°	179.9°
O4	P4	O43	HO43	180.0°	60.0°
O5	P5	O51	O52	117.9°	120.1°
O5	P5	O51	O53	121.8°	120.0°
O5	P5	O52	O53	123.7°	120.0°
O5	P5	O52	HO52	180.0°	180.0°
O5	P5	O53	HO53	180.0°	60.0°
O41	P4	O42	O43	115.8°	119.9°
O41	P4	O42	HO42	55.9°	59.9°
O41	P4	O43	HO43	57.1°	180.0°
O42	P4	O43	HO43	59.6°	60.0°
O43	P4	O42	HO42	59.9°	60.0°
O51	P5	O52	O53	120.4°	120.0°
O51	P5	O52	HO52	64.2°	60.0°
O51	P5	O53	HO53	61.8°	180.0°
O52	P5	O53	HO53	57.8°	60.1°
O53	P5	O52	HO52	56.2°	59.9°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	1DJZ