2IP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.55Å
C1	C6	sing	1.53Å	1.58Å
C1	O1	sing	1.43Å	1.40Å
C1	H1	sing	1.09Å	1.12Å
C2	C3	sing	1.53Å	1.57Å
C2	O2	sing	1.43Å	1.40Å
C2	H2	sing	1.09Å	1.11Å
C3	C4	sing	1.53Å	1.55Å
C3	O3	sing	1.43Å	1.40Å
C3	H3	sing	1.09Å	1.11Å
C4	C5	sing	1.53Å	1.54Å
C4	O4	sing	1.43Å	1.46Å
C4	H4	sing	1.09Å	1.12Å
C5	C6	sing	1.53Å	1.56Å
C5	O5	sing	1.43Å	1.43Å
C5	H5	sing	1.09Å	1.11Å
C6	O6	sing	1.43Å	1.42Å
C6	H6	sing	1.09Å	1.12Å
O1	P1	sing	1.61Å	1.50Å
O2	HO2	sing	0.97Å	0.95Å
O3	HO3	sing	0.97Å	0.95Å
O4	P4	sing	1.61Å	1.57Å
O5	HO5	sing	0.97Å	0.95Å
O6	HO6	sing	0.97Å	0.95Å
P4	O41	doub	1.48Å	1.57Å
P4	O42	sing	1.61Å	1.46Å
P4	O43	sing	1.61Å	1.54Å
O42	HO42	sing	0.97Å	0.95Å
O43	HO43	sing	0.97Å	0.95Å
P1	O11	doub	1.48Å	1.54Å
P1	O12	sing	1.61Å	1.51Å
P1	O13	sing	1.61Å	1.53Å
O12	HO12	sing	0.97Å	0.95Å
O13	HO13	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	112.4°	109.5°
C2	C1	O1	129.7°	109.5°
C2	C1	H1	85.0°	109.5°
C1	C2	C3	111.9°	109.5°
C1	C2	O2	112.2°	109.4°
C1	C2	H2	105.0°	109.5°
C6	C1	O1	116.8°	109.5°
C6	C1	H1	135.0°	109.5°
C1	C6	C5	112.0°	109.5°
C1	C6	O6	114.2°	109.5°
C1	C6	H6	102.3°	109.5°
O1	C1	H1	67.4°	109.4°
C1	O1	P1	133.4°	106.8°
C3	C2	O2	106.6°	109.5°
C3	C2	H2	110.8°	109.4°
C2	C3	C4	113.7°	109.5°
C2	C3	O3	110.4°	109.5°
C2	C3	H3	105.1°	109.5°
O2	C2	H2	110.4°	109.5°
C2	O2	HO2	112.3°	106.7°
C4	C3	O3	106.8°	109.4°
C4	C3	H3	108.8°	109.4°
C3	C4	C5	107.2°	109.4°
C3	C4	O4	109.0°	109.5°
C3	C4	H4	111.8°	109.5°
O3	C3	H3	112.2°	109.4°
C3	O3	HO3	110.4°	106.8°
C5	C4	O4	110.8°	109.5°
C5	C4	H4	109.9°	109.5°
C4	C5	C6	112.3°	109.5°
C4	C5	O5	110.4°	109.4°
C4	C5	H5	106.5°	109.5°
O4	C4	H4	108.2°	109.5°
C4	O4	P4	124.1°	106.8°
C6	C5	O5	108.1°	109.5°
C6	C5	H5	108.8°	109.5°
C5	C6	O6	101.9°	109.5°
C5	C6	H6	114.6°	109.5°
O5	C5	H5	110.8°	109.4°
C5	O5	HO5	110.4°	106.8°
O6	C6	H6	112.4°	109.5°
C6	O6	HO6	114.1°	106.9°
O1	P1	O11	102.6°	109.5°
O1	P1	O12	120.0°	109.5°
O1	P1	O13	104.2°	109.5°
O4	P4	O41	106.4°	109.5°
O4	P4	O42	109.9°	109.5°
O4	P4	O43	102.4°	109.5°
O41	P4	O42	110.6°	109.5°
O41	P4	O43	114.4°	109.5°
O42	P4	O43	112.6°	109.5°
P4	O42	HO42	109.9°	106.8°
P4	O43	HO43	102.4°	106.8°
O11	P1	O12	109.3°	109.5°
O11	P1	O13	106.5°	109.5°
O12	P1	O13	113.0°	109.4°
P1	O12	HO12	120.0°	106.8°
P1	O13	HO13	104.2°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	O1	169.7°	120.0°
C2	C1	C6	H1	106.3°	120.1°
C2	C1	O1	H1	62.1°	120.0°
C1	C2	C3	O2	123.0°	120.0°
C1	C2	C3	H2	116.8°	120.0°
C1	C2	O2	H2	116.7°	120.0°
C1	C2	C3	C4	54.0°	60.0°
C1	C2	C3	O3	173.9°	180.0°
C1	C2	C3	H3	64.9°	60.0°
C2	C1	C6	C5	48.9°	60.0°
C2	C1	C6	O6	164.0°	180.0°
C2	C1	C6	H6	74.3°	60.0°
C2	C1	O1	P1	106.9°	120.0°
C1	C2	O2	HO2	180.0°	179.9°
C6	C1	O1	H1	130.4°	120.0°
C6	C1	C2	C3	47.3°	60.0°
C6	C1	C2	O2	72.5°	60.0°
C6	C1	C2	H2	167.6°	180.0°
C1	C6	C5	C4	56.2°	60.0°
C1	C6	C5	O6	122.4°	120.0°
C1	C6	C5	H6	116.0°	120.0°
C1	C6	C5	O5	178.2°	180.0°
C1	C6	C5	H5	61.4°	60.0°
C1	C6	O6	H6	116.0°	120.0°
C6	C1	O1	P1	85.5°	120.0°
C1	C6	O6	HO6	179.9°	180.0°
O1	C1	C2	C3	120.7°	60.0°
O1	C1	C2	O2	119.5°	180.0°
O1	C1	C2	H2	0.4°	60.0°
O1	C1	C6	C5	120.7°	60.0°
O1	C1	C6	O6	5.6°	60.0°
O1	C1	C6	H6	116.1°	180.0°
C1	O1	P1	O11	129.4°	60.1°
C1	O1	P1	O12	8.0°	179.9°
C1	O1	P1	O13	119.7°	60.0°
H1	C1	C2	C3	175.6°	180.0°
H1	C1	C2	O2	64.5°	60.0°
H1	C1	C2	H2	55.4°	60.0°
H1	C1	C6	C5	155.2°	179.9°
H1	C1	C6	O6	89.7°	59.9°
H1	C1	C6	H6	32.0°	60.1°
H1	C1	O1	P1	44.9°	0.1°
C3	C2	O2	H2	120.4°	120.0°
C2	C3	C4	O3	122.0°	120.0°
C2	C3	C4	H3	116.7°	120.1°
C2	C3	O3	H3	116.8°	120.1°
C2	C3	C4	C5	58.7°	60.0°
C2	C3	C4	O4	178.7°	180.0°
C2	C3	C4	H4	61.8°	60.0°
C3	C2	O2	HO2	57.2°	60.1°
C2	C3	O3	HO3	180.0°	59.9°
O2	C2	C3	C4	69.1°	60.0°
O2	C2	C3	O3	50.8°	60.0°
O2	C2	C3	H3	172.0°	180.0°
H2	C2	C3	C4	170.8°	180.0°
H2	C2	C3	O3	69.3°	60.0°
H2	C2	C3	H3	51.9°	60.0°
H2	C2	O2	HO2	63.3°	59.9°
C4	C3	O3	H3	119.1°	119.9°
C3	C4	C5	O4	118.8°	120.0°
C3	C4	C5	H4	121.7°	120.0°
C3	C4	O4	H4	121.7°	120.0°
C3	C4	C5	C6	59.5°	60.0°
C3	C4	C5	O5	179.7°	180.0°
C3	C4	C5	H5	59.4°	60.1°
C4	C3	O3	HO3	56.0°	180.0°
C3	C4	O4	P4	114.5°	120.0°
O3	C3	C4	C5	179.4°	180.0°
O3	C3	C4	O4	59.4°	60.0°
O3	C3	C4	H4	60.1°	60.0°
H3	C3	C4	C5	58.0°	60.1°
H3	C3	C4	O4	62.0°	60.0°
H3	C3	C4	H4	178.5°	179.9°
H3	C3	O3	HO3	63.2°	60.1°
C5	C4	O4	H4	120.5°	120.1°
C4	C5	C6	O5	122.0°	120.0°
C4	C5	C6	H5	117.6°	120.0°
C4	C5	O5	H5	117.7°	119.9°
C4	C5	C6	O6	178.7°	180.0°
C4	C5	C6	H6	59.7°	60.0°
C5	C4	O4	P4	127.8°	120.0°
C4	C5	O5	HO5	179.9°	179.9°
O4	C4	C5	C6	178.4°	180.0°
O4	C4	C5	O5	60.9°	60.0°
O4	C4	C5	H5	59.4°	59.9°
C4	O4	P4	O41	52.1°	60.1°
C4	O4	P4	O42	171.9°	180.0°
C4	O4	P4	O43	68.2°	60.0°
H4	C4	C5	C6	62.1°	60.0°
H4	C4	C5	O5	58.6°	60.0°
H4	C4	C5	H5	178.9°	179.9°
H4	C4	O4	P4	7.2°	0.0°
C6	C5	O5	H5	119.1°	120.1°
C5	C6	O6	H6	123.1°	120.0°
C6	C5	O5	HO5	56.7°	60.0°
C5	C6	O6	HO6	59.2°	60.0°
O5	C5	C6	O6	59.3°	60.0°
O5	C5	C6	H6	62.3°	60.0°
H5	C5	C6	O6	61.0°	60.0°
H5	C5	C6	H6	177.3°	180.0°
H5	C5	O5	HO5	62.4°	60.0°
H6	C6	O6	HO6	64.0°	60.0°
O1	P1	O11	O12	128.5°	120.0°
O1	P1	O11	O13	109.2°	120.1°
O1	P1	O12	O13	123.6°	120.0°
O1	P1	O12	HO12	180.0°	179.9°
O1	P1	O13	HO13	180.0°	60.0°
O4	P4	O41	O42	119.4°	120.0°
O4	P4	O41	O43	112.2°	120.0°
O4	P4	O42	O43	113.4°	120.0°
O4	P4	O42	HO42	180.0°	180.0°
O4	P4	O43	HO43	180.0°	60.0°
O41	P4	O42	O43	129.3°	120.0°
O41	P4	O42	HO42	62.7°	60.0°
O41	P4	O43	HO43	65.3°	180.0°
O42	P4	O43	HO43	62.0°	60.0°
O43	P4	O42	HO42	66.6°	60.0°
O11	P1	O12	O13	118.4°	120.0°
O11	P1	O12	HO12	61.9°	59.9°
O11	P1	O13	HO13	72.0°	180.0°
O12	P1	O13	HO13	48.1°	60.0°
O13	P1	O12	HO12	56.4°	60.1°

Definition date:	2001-03-27
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1I9Z