88Q

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O5	C11	sing	1.43Å	1.41Å
C11	C10	sing	1.53Å	1.51Å
C10	C9	sing	1.53Å	1.51Å
C10	O4	sing	1.43Å	1.42Å
C10	C12	sing	1.53Å	1.41Å
C9	C8	sing	1.53Å	1.49Å
C8	C7	sing	1.53Å	1.52Å
C12	O6	sing	1.43Å	1.37Å
O6	C7	sing	1.43Å	1.46Å
C7	C5	sing	1.53Å	1.45Å
C5	O3	sing	1.43Å	1.36Å
C5	C4	sing	1.53Å	1.53Å
O3	C6	sing	1.43Å	1.38Å
C6	C2	sing	1.53Å	1.51Å
C4	C3	sing	1.53Å	1.49Å
C3	C2	sing	1.53Å	1.51Å
C2	O2	sing	1.43Å	1.42Å
C2	C1	sing	1.53Å	1.50Å
C1	O1	sing	1.43Å	1.41Å
O5	H5	sing	0.97Å	0.95Å
C11	H111	sing	1.09Å	1.10Å
C11	H112	sing	1.09Å	1.10Å
C9	H91C	sing	1.09Å	1.10Å
C9	H92C	sing	1.09Å	1.10Å
O4	H4	sing	0.97Å	0.95Å
C12	H121	sing	1.09Å	1.10Å
C12	H122	sing	1.09Å	1.10Å
C8	H81C	sing	1.09Å	1.10Å
C8	H82C	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C5	HA	sing	1.09Å	1.10Å
C4	H41C	sing	1.09Å	1.10Å
C4	H42C	sing	1.09Å	1.10Å
C6	H61C	sing	1.09Å	1.10Å
C6	H62C	sing	1.09Å	1.10Å
C3	H31C	sing	1.09Å	1.10Å
C3	H32C	sing	1.09Å	1.10Å
O2	H2	sing	0.97Å	0.95Å
C1	H11C	sing	1.09Å	1.10Å
C1	H12C	sing	1.09Å	1.10Å
O1	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O5	C11	C10	109.3°	109.5°
C11	O5	H5	109.5°	114.0°
O5	C11	H111	109.5°	109.4°
O5	C11	H112	109.5°	109.5°
C11	C10	C9	107.9°	109.5°
C11	C10	O4	110.9°	109.5°
C11	C10	C12	105.7°	109.5°
C10	C11	H111	109.5°	109.5°
C10	C11	H112	109.5°	109.5°
C9	C10	O4	111.6°	109.6°
C9	C10	C12	110.6°	109.2°
C10	C9	C8	109.0°	109.0°
C10	C9	H91C	109.6°	109.5°
C10	C9	H92C	109.6°	109.5°
O4	C10	C12	109.9°	109.5°
C10	O4	H4	109.5°	114.0°
C10	C12	O6	115.8°	109.4°
C10	C12	H121	107.8°	109.5°
C10	C12	H122	107.9°	109.5°
C9	C8	C7	111.8°	109.2°
C8	C9	H91C	109.6°	109.6°
C8	C9	H92C	109.6°	109.6°
C9	C8	H81C	108.9°	109.5°
C9	C8	H82C	108.9°	109.5°
C8	C7	O6	123.7°	109.4°
C8	C7	C5	98.9°	109.5°
C7	C8	H81C	108.9°	109.5°
C7	C8	H82C	108.9°	109.5°
C8	C7	H7	110.4°	109.5°
C12	O6	C7	111.2°	114.1°
O6	C12	H121	107.9°	109.5°
O6	C12	H122	107.9°	109.4°
O6	C7	C5	99.3°	109.5°
O6	C7	H7	111.3°	109.5°
C7	C5	O3	97.0°	109.5°
C7	C5	C4	98.0°	109.5°
C5	C7	H7	111.6°	109.5°
C7	C5	HA	111.6°	109.5°
O3	C5	C4	124.3°	109.4°
C5	O3	C6	116.8°	114.1°
O3	C5	HA	113.0°	109.5°
C5	C4	C3	111.0°	109.1°
C4	C5	HA	110.4°	109.5°
C5	C4	H41C	109.1°	109.5°
C5	C4	H42C	109.1°	109.6°
O3	C6	C2	109.9°	109.4°
O3	C6	H61C	109.4°	109.5°
O3	C6	H62C	109.4°	109.5°
C6	C2	C3	109.1°	109.2°
C6	C2	O2	110.2°	109.5°
C6	C2	C1	107.2°	109.5°
C2	C6	H61C	109.4°	109.4°
C2	C6	H62C	109.4°	109.5°
C4	C3	C2	108.6°	109.0°
C3	C4	H41C	109.1°	109.5°
C3	C4	H42C	109.1°	109.5°
C4	C3	H31C	109.7°	109.5°
C4	C3	H32C	109.7°	109.6°
C3	C2	O2	111.1°	109.5°
C3	C2	C1	108.2°	109.5°
C2	C3	H31C	109.7°	109.5°
C2	C3	H32C	109.7°	109.5°
O2	C2	C1	110.9°	109.6°
C2	O2	H2	109.5°	114.0°
C2	C1	O1	108.1°	109.5°
C2	C1	H11C	109.8°	109.4°
C2	C1	H12C	109.8°	109.4°
O1	C1	H11C	109.8°	109.5°
O1	C1	H12C	109.8°	109.4°
C1	O1	H1	109.5°	114.0°
H111	C11	H112	109.5°	109.5°
H91C	C9	H92C	109.5°	109.5°
H121	C12	H122	109.5°	109.5°
H81C	C8	H82C	109.5°	109.5°
H41C	C4	H42C	109.5°	109.6°
H61C	C6	H62C	109.5°	109.6°
H31C	C3	H32C	109.4°	109.6°
H11C	C1	H12C	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O5	C11	C10	H111	120.0°	120.0°
O5	C11	C10	H112	120.0°	120.0°
O5	C11	C10	C9	173.0°	175.0°
O5	C11	C10	O4	64.5°	64.8°
O5	C11	C10	C12	54.6°	55.3°
O5	C11	H111	H112	120.1°	120.0°
C11	C10	C9	O4	122.1°	120.1°
C11	C10	C9	C12	115.2°	119.9°
C11	C10	O4	C12	116.5°	120.1°
C11	C10	C9	C8	174.8°	63.0°
C11	C10	C12	O6	175.4°	62.4°
C10	C11	O5	H5	180.0°	180.0°
C10	C11	H111	H112	120.1°	120.0°
C11	C10	C9	H91C	65.3°	177.2°
C11	C10	C9	H92C	54.9°	57.0°
C11	C10	O4	H4	180.0°	59.9°
C11	C10	C12	H121	63.7°	57.6°
C11	C10	C12	H122	54.4°	177.7°
C9	C10	O4	C12	123.1°	119.8°
C10	C9	C8	H91C	119.9°	119.9°
C10	C9	C8	H92C	119.9°	119.9°
C10	C9	C8	C7	15.8°	57.0°
C9	C10	C12	O6	68.0°	57.6°
C9	C10	C11	H111	67.0°	65.0°
C9	C10	C11	H112	53.0°	55.0°
C10	C9	H91C	H92C	120.2°	120.2°
C9	C10	O4	H4	59.6°	179.9°
C9	C10	C12	H121	52.9°	177.6°
C9	C10	C12	H122	171.0°	62.4°
C10	C9	C8	H81C	104.5°	176.9°
C10	C9	C8	H82C	136.1°	63.0°
O4	C10	C9	C8	63.1°	176.9°
O4	C10	C12	O6	55.7°	177.6°
O4	C10	C11	H111	55.5°	55.2°
O4	C10	C11	H112	175.6°	175.2°
O4	C10	C9	H91C	56.8°	57.0°
O4	C10	C9	H92C	177.0°	63.1°
O4	C10	C12	H121	176.6°	62.4°
O4	C10	C12	H122	65.3°	57.6°
C12	C10	C9	C8	59.6°	57.0°
C10	C12	O6	H121	120.9°	120.0°
C10	C12	O6	H122	120.9°	120.0°
C10	C12	O6	C7	25.3°	61.1°
C12	C10	C11	H111	174.6°	175.3°
C12	C10	C11	H112	65.4°	64.7°
C12	C10	C9	H91C	179.6°	62.9°
C12	C10	C9	H92C	60.3°	176.9°
C12	C10	O4	H4	63.5°	60.2°
C10	C12	H121	H122	117.1°	120.1°
C9	C8	C7	H81C	120.3°	119.9°
C9	C8	C7	H82C	120.3°	119.9°
C9	C8	C7	O6	24.0°	57.6°
C9	C8	C7	C5	131.5°	177.6°
C8	C9	H91C	H92C	120.2°	120.3°
C9	C8	H81C	H82C	118.9°	120.1°
C9	C8	C7	H7	111.4°	62.4°
C8	C7	O6	C12	21.0°	61.1°
C8	C7	O6	C5	107.3°	120.0°
C8	C7	O6	H7	135.2°	120.0°
C8	C7	C5	H7	116.2°	120.0°
C8	C7	C5	O3	75.1°	55.0°
C8	C7	C5	C4	51.1°	175.0°
C7	C8	C9	H91C	135.7°	62.9°
C7	C8	C9	H92C	104.1°	176.9°
C7	C8	H81C	H82C	118.9°	120.1°
C8	C7	C5	HA	166.8°	65.0°
C12	O6	C7	C5	128.2°	178.9°
O6	C12	H121	H122	117.1°	120.0°
C12	O6	C7	H7	114.2°	58.9°
O6	C7	C5	H7	117.4°	120.0°
O6	C7	C5	O3	158.4°	65.0°
O6	C7	C5	C4	75.4°	55.0°
C7	O6	C12	H121	95.6°	178.9°
C7	O6	C12	H122	146.3°	58.9°
O6	C7	C8	H81C	144.4°	177.5°
O6	C7	C8	H82C	96.3°	62.3°
O6	C7	C5	HA	40.3°	175.0°
C7	C5	O3	C4	104.7°	120.0°
C7	C5	O3	HA	117.0°	120.0°
C7	C5	C4	HA	116.6°	120.0°
C7	C5	O3	C6	126.4°	178.9°
C7	C5	C4	C3	127.2°	177.6°
C5	C7	C8	H81C	108.2°	62.5°
C5	C7	C8	H82C	11.2°	57.7°
C7	C5	C4	H41C	7.0°	57.7°
C7	C5	C4	H42C	112.6°	62.5°
O3	C5	C4	HA	139.2°	120.0°
C5	O3	C6	C2	23.0°	61.1°
O3	C5	C4	C3	23.0°	57.6°
O3	C5	C7	H7	41.1°	175.0°
O3	C5	C4	H41C	97.2°	62.2°
O3	C5	C4	H42C	143.2°	177.5°
C5	O3	C6	H61C	143.1°	58.8°
C5	O3	C6	H62C	97.0°	178.9°
C4	C5	O3	C6	21.7°	61.2°
C5	C4	C3	H41C	120.2°	119.9°
C5	C4	C3	H42C	120.2°	119.9°
C5	C4	C3	C2	20.0°	57.0°
C4	C5	C7	H7	167.3°	65.0°
C5	C4	H41C	H42C	119.3°	120.2°
C5	C4	C3	H31C	99.8°	176.8°
C5	C4	C3	H32C	139.9°	62.9°
O3	C6	C2	H61C	120.1°	119.9°
O3	C6	C2	H62C	120.1°	120.0°
O3	C6	C2	C3	66.8°	57.6°
O3	C6	C2	O2	55.4°	177.5°
O3	C6	C2	C1	176.3°	62.3°
C6	O3	C5	HA	116.6°	58.8°
O3	C6	H61C	H62C	119.8°	120.1°
C6	C2	C3	C4	63.1°	57.0°
C6	C2	C3	O2	121.7°	119.9°
C6	C2	C3	C1	116.3°	119.9°
C6	C2	O2	C1	118.6°	120.2°
C6	C2	C1	O1	56.0°	55.0°
C2	C6	H61C	H62C	119.8°	120.0°
C6	C2	C3	H31C	56.7°	176.8°
C6	C2	C3	H32C	177.0°	62.9°
C6	C2	O2	H2	180.0°	60.0°
C6	C2	C1	H11C	63.8°	65.0°
C6	C2	C1	H12C	175.8°	174.9°
C4	C3	C2	H31C	119.9°	119.8°
C4	C3	C2	H32C	119.9°	119.9°
C4	C3	C2	O2	58.6°	176.9°
C4	C3	C2	C1	179.5°	62.9°
C3	C4	C5	HA	116.2°	62.4°
C3	C4	H41C	H42C	119.3°	120.1°
C4	C3	H31C	H32C	120.4°	120.3°
C3	C2	O2	C1	120.3°	120.1°
C3	C2	C1	O1	173.6°	174.7°
C2	C3	C4	H41C	140.2°	62.9°
C2	C3	C4	H42C	100.2°	176.9°
C3	C2	C6	H61C	173.2°	62.3°
C3	C2	C6	H62C	53.3°	177.6°
C2	C3	H31C	H32C	120.4°	120.2°
C3	C2	O2	H2	58.9°	179.7°
C3	C2	C1	H11C	53.8°	54.7°
C3	C2	C1	H12C	66.6°	65.3°
O2	C2	C1	O1	64.4°	65.2°
O2	C2	C6	H61C	64.6°	57.6°
O2	C2	C6	H62C	175.5°	62.5°
O2	C2	C3	H31C	178.5°	63.3°
O2	C2	C3	H32C	61.3°	57.0°
O2	C2	C1	H11C	175.8°	174.8°
O2	C2	C1	H12C	55.4°	54.8°
C2	C1	O1	H11C	119.8°	120.0°
C2	C1	O1	H12C	119.8°	119.9°
C1	C2	C6	H61C	56.2°	177.8°
C1	C2	C6	H62C	63.7°	57.7°
C1	C2	C3	H31C	59.6°	56.9°
C1	C2	C3	H32C	60.7°	177.2°
C1	C2	O2	H2	61.4°	60.2°
C2	C1	H11C	H12C	120.6°	120.0°
C2	C1	O1	H1	180.0°	180.0°
O1	C1	H11C	H12C	120.7°	120.0°
H5	O5	C11	H111	60.0°	60.0°
H5	O5	C11	H112	60.0°	60.0°
H91C	C9	C8	H81C	15.4°	57.0°
H91C	C9	C8	H82C	104.0°	177.2°
H92C	C9	C8	H81C	135.5°	63.2°
H92C	C9	C8	H82C	16.2°	56.9°
H81C	C8	C7	H7	8.9°	57.5°
H82C	C8	C7	H7	128.2°	177.7°
H7	C7	C5	HA	77.0°	55.0°
HA	C5	C4	H41C	123.6°	177.8°
HA	C5	C4	H42C	4.0°	57.5°
H41C	C4	C3	H31C	20.4°	57.0°
H41C	C4	C3	H32C	99.9°	177.3°
H42C	C4	C3	H31C	140.0°	63.2°
H42C	C4	C3	H32C	19.7°	57.1°
H11C	C1	O1	H1	60.2°	60.0°
H12C	C1	O1	H1	60.2°	60.1°

Release date:	2013-03-06
Definition date:	2012-02-15
Last modified:	2014-09-05
Release status:	REL
Processing site:	EBI
Derived from:	4AIZ