SST

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O5	C5	sing	1.43Å	1.38Å
C5	C4	sing	1.53Å	1.52Å
O4	C4	sing	1.43Å	1.38Å
C1	O1	sing	1.43Å	1.38Å
C1	C2	sing	1.53Å	1.50Å
C4	C3	sing	1.53Å	1.51Å
C2	C3	sing	1.53Å	1.52Å
C2	O2	sing	1.43Å	1.38Å
C3	O3	sing	1.43Å	1.38Å
O3	H1	sing	0.97Å	0.95Å
O4	H2	sing	0.97Å	0.95Å
O2	H3	sing	0.97Å	0.95Å
O5	H4	sing	0.97Å	0.95Å
O1	H5	sing	0.97Å	0.95Å
C3	H6	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C2	H8	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O5	C5	C4	109.4°	109.4°
C5	O5	H4	109.5°	114.0°
O5	C5	H9	109.5°	109.5°
O5	C5	H10	109.5°	109.5°
C5	C4	O4	110.0°	109.5°
C5	C4	C3	113.6°	109.4°
C5	C4	H7	106.7°	109.5°
C4	C5	H9	109.5°	109.5°
C4	C5	H10	109.5°	109.5°
O4	C4	C3	111.0°	109.5°
C4	O4	H2	109.5°	114.0°
O4	C4	H7	108.4°	109.5°
O1	C1	C2	108.9°	109.5°
C1	O1	H5	109.5°	114.0°
O1	C1	H11	109.6°	109.4°
O1	C1	H12	109.6°	109.5°
C1	C2	C3	112.3°	109.5°
C1	C2	O2	107.4°	109.4°
C1	C2	H8	108.7°	109.5°
C2	C1	H11	109.6°	109.5°
C2	C1	H12	109.6°	109.5°
C4	C3	C2	114.7°	109.5°
C4	C3	O3	112.1°	109.5°
C4	C3	H6	105.6°	109.5°
C3	C4	H7	106.8°	109.5°
C3	C2	O2	109.6°	109.4°
C2	C3	O3	111.1°	109.5°
C2	C3	H6	105.5°	109.4°
C3	C2	H8	108.5°	109.5°
C2	O2	H3	109.5°	114.0°
O2	C2	H8	110.3°	109.5°
C3	O3	H1	109.5°	114.0°
O3	C3	H6	107.1°	109.5°
H9	C5	H10	109.5°	109.5°
H11	C1	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O5	C5	C4	H9	120.0°	120.0°
O5	C5	C4	H10	120.0°	120.0°
O5	C5	C4	O4	54.7°	65.1°
O5	C5	C4	C3	179.9°	175.0°
O5	C5	C4	H7	62.8°	55.0°
O5	C5	H9	H10	120.0°	120.0°
C5	C4	O4	C3	126.6°	119.9°
C5	C4	O4	H7	116.4°	120.0°
C5	C4	C3	H7	117.4°	120.0°
C5	C4	C3	C2	85.6°	180.0°
C5	C4	C3	O3	42.3°	60.0°
C5	C4	O4	H2	180.0°	60.0°
C4	C5	O5	H4	180.0°	180.0°
C5	C4	C3	H6	158.6°	60.1°
C4	C5	H9	H10	120.0°	120.1°
O4	C4	C3	H7	118.0°	120.1°
O4	C4	C3	C2	39.0°	60.0°
O4	C4	C3	O3	167.0°	180.0°
O4	C4	C3	H6	76.7°	59.9°
O4	C4	C5	H9	174.7°	175.0°
O4	C4	C5	H10	65.3°	54.9°
O1	C1	C2	H11	119.9°	119.9°
O1	C1	C2	H12	119.9°	120.0°
O1	C1	C2	C3	66.4°	175.0°
O1	C1	C2	O2	54.2°	65.0°
O1	C1	C2	H8	173.6°	55.0°
O1	C1	H11	H12	120.2°	119.9°
C1	C2	C3	C4	79.2°	175.0°
C1	C2	C3	O2	119.4°	119.9°
C1	C2	C3	H8	120.2°	120.1°
C1	C2	O2	H8	118.3°	120.1°
C1	C2	C3	O3	49.2°	55.0°
C1	C2	O2	H3	180.0°	60.0°
C2	C1	O1	H5	180.0°	180.0°
C1	C2	C3	H6	165.0°	65.0°
C2	C1	H11	H12	120.3°	120.1°
C4	C3	C2	O3	128.5°	120.0°
C4	C3	C2	H6	115.7°	120.0°
C4	C3	C2	O2	161.4°	55.0°
C4	C3	O3	H6	115.4°	120.1°
C4	C3	O3	H1	180.0°	60.0°
C3	C4	O4	H2	53.4°	60.0°
C4	C3	C2	H8	40.9°	65.0°
C3	C4	C5	H9	60.1°	55.0°
C3	C4	C5	H10	59.9°	65.0°
C3	C2	O2	H8	119.4°	120.0°
C2	C3	O3	H6	114.8°	119.9°
C2	C3	O3	H1	50.1°	60.0°
C3	C2	O2	H3	57.7°	59.9°
C2	C3	C4	H7	157.0°	60.1°
C3	C2	C1	H11	173.7°	55.1°
C3	C2	C1	H12	53.5°	64.9°
O2	C2	C3	O3	70.1°	65.0°
O2	C2	C3	H6	45.6°	175.0°
O2	C2	C1	H11	65.7°	175.0°
O2	C2	C1	H12	174.2°	55.0°
O3	C3	C4	H7	75.0°	60.0°
O3	C3	C2	H8	169.4°	175.0°
H1	O3	C3	H6	64.6°	180.0°
H2	O4	C4	H7	63.6°	180.0°
H3	O2	C2	H8	61.7°	179.9°
H4	O5	C5	H9	60.0°	60.0°
H4	O5	C5	H10	60.0°	60.0°
H5	O1	C1	H11	60.1°	60.0°
H5	O1	C1	H12	60.1°	59.9°
H6	C3	C4	H7	41.3°	180.0°
H6	C3	C2	H8	74.8°	55.0°
H7	C4	C5	H9	57.3°	64.9°
H7	C4	C5	H10	177.3°	175.0°
H8	C2	C1	H11	53.6°	65.0°
H8	C2	C1	H12	66.5°	175.0°

Release date:	2015-08-12
Definition date:	2014-09-02
Last modified:	2020-06-17
Release status:	REL
Processing site:	PDBJ
Derived from:	4R1Q