7UZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C1	doub	1.21Å	1.27Å
C1	C4	sing	1.51Å	1.55Å
C1	O2	sing	1.34Å	1.26Å
O2	HO2	sing	0.97Å	0.95Å
C5	C4	sing	1.51Å	1.54Å
C4	C8	sing	1.53Å	1.55Å
C4	H4	sing	1.09Å	1.10Å
O7	C5	doub	1.21Å	1.26Å
C5	O6	sing	1.34Å	1.25Å
O6	HO6	sing	0.97Å	0.95Å
C10	C8	sing	1.53Å	1.56Å
C8	H8	sing	1.09Å	1.10Å
C8	H8A	sing	1.09Å	1.10Å
C10	C17	sing	1.53Å	1.55Å
C10	C13	sing	1.53Å	1.53Å
C10	H10	sing	1.09Å	1.10Å
C13	C14	sing	1.53Å	1.56Å
C13	H13	sing	1.09Å	1.10Å
C13	H13A	sing	1.09Å	1.10Å
C14	C15	sing	1.53Å	1.53Å
C14	H14	sing	1.09Å	1.10Å
C14	H14A	sing	1.09Å	1.10Å
C16	C15	sing	1.53Å	1.54Å
C15	H15	sing	1.09Å	1.10Å
C15	H15A	sing	1.09Å	1.10Å
C16	C17	sing	1.53Å	1.54Å
C16	H16	sing	1.09Å	1.10Å
C16	H16A	sing	1.09Å	1.10Å
C17	H17	sing	1.09Å	1.10Å
C17	H17A	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C1	C4	117.1°	120.0°
O3	C1	O2	124.9°	120.0°
C4	C1	O2	117.9°	120.0°
C1	C4	C5	108.3°	109.4°
C1	C4	C8	110.2°	109.5°
C1	C4	H4	109.5°	109.5°
C1	O2	HO2	109.5°	117.0°
C5	C4	C8	109.9°	109.5°
C5	C4	H4	109.6°	109.4°
C4	C5	O7	116.7°	120.0°
C4	C5	O6	117.8°	120.0°
C8	C4	H4	109.4°	109.5°
C4	C8	C10	113.8°	109.4°
C4	C8	H8	108.4°	109.4°
C4	C8	H8A	108.4°	109.4°
O7	C5	O6	125.4°	120.0°
C5	O6	HO6	109.5°	117.0°
C10	C8	H8	108.4°	109.5°
C10	C8	H8A	108.3°	109.5°
C8	C10	C17	108.2°	109.5°
C8	C10	C13	112.4°	109.5°
C8	C10	H10	108.6°	109.5°
H8	C8	H8A	109.5°	109.5°
C17	C10	C13	109.9°	109.4°
C17	C10	H10	108.8°	109.4°
C10	C17	C16	109.9°	109.5°
C10	C17	H17	109.4°	109.5°
C10	C17	H17A	109.3°	109.4°
C13	C10	H10	108.9°	109.5°
C10	C13	C14	113.2°	109.5°
C10	C13	H13	108.5°	109.4°
C10	C13	H13A	108.5°	109.5°
C14	C13	H13	108.5°	109.5°
C14	C13	H13A	108.5°	109.5°
C13	C14	C15	111.2°	109.5°
C13	C14	H14	109.0°	109.4°
C13	C14	H14A	109.0°	109.5°
H13	C13	H13A	109.5°	109.4°
C15	C14	H14	109.0°	109.5°
C15	C14	H14A	109.0°	109.5°
C14	C15	C16	112.3°	109.4°
C14	C15	H15	108.7°	109.4°
C14	C15	H15A	108.8°	109.4°
H14	C14	H14A	109.5°	109.4°
C16	C15	H15	108.8°	109.5°
C16	C15	H15A	108.8°	109.5°
C15	C16	C17	110.8°	109.5°
C15	C16	H16	109.1°	109.5°
C15	C16	H16A	109.1°	109.5°
H15	C15	H15A	109.5°	109.5°
C17	C16	H16	109.1°	109.5°
C17	C16	H16A	109.1°	109.5°
C16	C17	H17	109.3°	109.5°
C16	C17	H17A	109.4°	109.5°
H16	C16	H16A	109.5°	109.4°
H17	C17	H17A	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C1	C4	O2	178.0°	179.6°
O3	C1	O2	HO2	0.0°	0.3°
O3	C1	C4	C5	84.1°	120.3°
O3	C1	C4	C8	36.1°	0.3°
O3	C1	C4	H4	156.6°	119.7°
C4	C1	O2	HO2	177.8°	180.0°
C1	C4	C5	C8	120.4°	120.0°
C1	C4	C5	H4	119.3°	120.0°
C1	C4	C8	H4	120.4°	120.0°
C1	C4	C5	O7	71.2°	120.0°
C1	C4	C5	O6	108.6°	60.0°
C1	C4	C8	C10	171.6°	65.0°
C1	C4	C8	H8	67.8°	175.0°
C1	C4	C8	H8A	51.0°	54.9°
O2	C1	C4	C5	93.9°	60.0°
O2	C1	C4	C8	145.9°	180.0°
O2	C1	C4	H4	25.5°	59.9°
C5	C4	C8	H4	120.3°	120.0°
C4	C5	O7	O6	179.8°	180.0°
C4	C5	O6	HO6	179.8°	180.0°
C5	C4	C8	C10	52.4°	175.0°
C5	C4	C8	H8	173.0°	55.0°
C5	C4	C8	H8A	68.2°	65.0°
C8	C4	C5	O7	49.2°	0.0°
C8	C4	C5	O6	131.0°	180.0°
C4	C8	C10	H8	120.6°	120.0°
C4	C8	C10	H8A	120.7°	119.9°
C4	C8	H8	H8A	118.0°	120.0°
C4	C8	C10	C17	179.0°	175.0°
C4	C8	C10	C13	57.5°	65.0°
C4	C8	C10	H10	63.1°	55.0°
H4	C4	C5	O7	169.5°	120.0°
H4	C4	C5	O6	10.7°	60.0°
H4	C4	C8	C10	67.9°	55.0°
H4	C4	C8	H8	52.7°	65.0°
H4	C4	C8	H8A	171.4°	175.0°
O7	C5	O6	HO6	0.0°	0.0°
C10	C8	H8	H8A	118.0°	120.0°
C8	C10	C17	C13	123.0°	120.0°
C8	C10	C17	H10	117.8°	120.0°
C8	C10	C13	H10	120.4°	120.1°
C8	C10	C13	C14	175.6°	180.0°
C8	C10	C13	H13	63.9°	60.0°
C8	C10	C13	H13A	55.0°	59.9°
C8	C10	C17	C16	178.6°	180.0°
C8	C10	C17	H17	61.3°	59.9°
C8	C10	C17	H17A	58.6°	60.0°
H8	C8	C10	C17	58.3°	65.0°
H8	C8	C10	C13	63.2°	54.9°
H8	C8	C10	H10	176.2°	175.0°
H8A	C8	C10	C17	60.4°	55.1°
H8A	C8	C10	C13	178.1°	175.0°
H8A	C8	C10	H10	57.5°	64.9°
C17	C10	C13	H10	119.1°	120.0°
C17	C10	C13	C14	55.1°	60.0°
C17	C10	C13	H13	175.6°	180.0°
C17	C10	C13	H13A	65.5°	60.0°
C10	C17	C16	C15	59.1°	60.0°
C10	C17	C16	H17	120.1°	120.0°
C10	C17	C16	H17A	120.1°	120.0°
C10	C17	C16	H16	61.1°	60.0°
C10	C17	C16	H16A	179.3°	180.0°
C10	C17	H17	H17A	119.8°	119.9°
C10	C13	C14	H13	120.6°	120.0°
C10	C13	C14	H13A	120.5°	120.1°
C10	C13	H13	H13A	118.3°	120.0°
C10	C13	C14	C15	51.6°	60.0°
C10	C13	C14	H14	68.7°	60.0°
C10	C13	C14	H14A	171.8°	180.0°
C13	C10	C17	C16	58.3°	60.0°
C13	C10	C17	H17	61.7°	60.0°
C13	C10	C17	H17A	178.4°	180.0°
H10	C10	C13	C14	64.0°	60.0°
H10	C10	C13	H13	56.6°	60.1°
H10	C10	C13	H13A	175.5°	180.0°
H10	C10	C17	C16	60.8°	60.0°
H10	C10	C17	H17	179.1°	179.9°
H10	C10	C17	H17A	59.2°	60.0°
C14	C13	H13	H13A	118.3°	120.0°
C13	C14	C15	H14	120.2°	120.0°
C13	C14	C15	H14A	120.3°	120.0°
C13	C14	H14	H14A	119.2°	120.0°
C13	C14	C15	C16	51.3°	60.0°
C13	C14	C15	H15	171.7°	180.0°
C13	C14	C15	H15A	69.2°	60.0°
H13	C13	C14	C15	172.1°	180.0°
H13	C13	C14	H14	51.9°	60.0°
H13	C13	C14	H14A	67.6°	60.0°
H13A	C13	C14	C15	69.0°	60.0°
H13A	C13	C14	H14	170.8°	179.9°
H13A	C13	C14	H14A	51.3°	60.0°
C15	C14	H14	H14A	119.2°	120.0°
C14	C15	C16	H15	120.4°	119.9°
C14	C15	C16	H15A	120.4°	120.0°
C14	C15	H15	H15A	118.7°	120.0°
C14	C15	C16	C17	56.1°	60.0°
C14	C15	C16	H16	64.1°	60.0°
C14	C15	C16	H16A	176.3°	180.0°
H14	C14	C15	C16	69.0°	60.0°
H14	C14	C15	H15	51.4°	60.0°
H14	C14	C15	H15A	170.6°	180.0°
H14A	C14	C15	C16	171.5°	180.0°
H14A	C14	C15	H15	68.1°	60.0°
H14A	C14	C15	H15A	51.1°	60.0°
C16	C15	H15	H15A	118.7°	120.1°
C15	C16	C17	H16	120.2°	120.1°
C15	C16	C17	H16A	120.2°	120.0°
C15	C16	H16	H16A	119.4°	120.0°
C15	C16	C17	H17	61.0°	60.0°
C15	C16	C17	H17A	179.2°	180.0°
H15	C15	C16	C17	176.5°	180.0°
H15	C15	C16	H16	56.3°	59.9°
H15	C15	C16	H16A	63.3°	60.0°
H15A	C15	C16	C17	64.3°	60.0°
H15A	C15	C16	H16	175.5°	180.0°
H15A	C15	C16	H16A	55.9°	60.0°
C17	C16	H16	H16A	119.4°	120.0°
C16	C17	H17	H17A	119.8°	120.0°
H16	C16	C17	H17	178.8°	179.9°
H16	C16	C17	H17A	58.9°	59.9°
H16A	C16	C17	H17	59.2°	60.0°
H16A	C16	C17	H17A	60.6°	60.0°

Release date:	2014-02-26
Definition date:	2013-12-09
Last modified:	2014-02-21
Release status:	REL
Processing site:	EBI
Derived from:	4CIB