A1LXA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C5	sing	1.53Å	1.50Å
C5	O5	sing	1.44Å	1.47Å
C5	C4	sing	1.55Å	1.46Å
O5	C2	sing	1.44Å	1.36Å
O4	C4	sing	1.43Å	1.41Å
C4	C3	sing	1.55Å	1.49Å
O1A	C1	doub	1.21Å	1.31Å
C2	C1	sing	1.51Å	1.48Å
C2	O2	sing	1.43Å	1.44Å
C2	C3	sing	1.55Å	1.48Å
C1	O1B	sing	1.34Å	1.17Å
O1B	H1	sing	0.97Å	0.95Å
O2	H2	sing	0.97Å	0.95Å
C5	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
O4	H8	sing	0.97Å	0.95Å
C3	H9	sing	1.09Å	1.10Å
C3	H10	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	C5	O5	105.1°	110.4°
C6	C5	C4	117.4°	110.4°
C6	C5	H3	113.4°	110.4°
C5	C6	H4	109.5°	109.4°
C5	C6	H5	109.4°	109.5°
C5	C6	H6	109.5°	109.5°
O5	C5	C4	90.7°	104.8°
C5	O5	C2	111.8°	105.3°
O5	C5	H3	113.8°	110.4°
C5	C4	O4	119.7°	110.5°
C5	C4	C3	107.1°	104.1°
C4	C5	H3	114.0°	110.4°
C5	C4	H7	96.2°	110.5°
O5	C2	C1	117.2°	110.4°
O5	C2	O2	104.2°	110.4°
O5	C2	C3	107.6°	104.9°
O4	C4	C3	129.6°	110.6°
O4	C4	H7	96.4°	110.6°
C4	O4	H8	109.5°	114.1°
C4	C3	C2	88.9°	104.0°
C3	C4	H7	96.1°	110.4°
C4	C3	H9	114.3°	110.5°
C4	C3	H10	114.3°	110.7°
O1A	C1	C2	108.9°	120.0°
O1A	C1	O1B	119.4°	120.0°
C1	C2	O2	101.2°	110.4°
C1	C2	C3	119.6°	110.4°
C2	C1	O1B	128.7°	120.0°
O2	C2	C3	104.7°	110.3°
C2	O2	H2	109.5°	114.0°
C2	C3	H9	114.3°	110.5°
C2	C3	H10	114.4°	110.5°
C1	O1B	H1	109.5°	117.0°
H4	C6	H5	109.5°	109.5°
H4	C6	H6	109.5°	109.5°
H5	C6	H6	109.5°	109.5°
H9	C3	H10	109.5°	110.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	C5	O5	C4	118.7°	118.8°
C6	C5	O5	H3	124.6°	122.4°
C6	C5	C4	H3	136.0°	122.4°
C6	C5	O5	C2	141.9°	159.4°
C6	C5	C4	O4	1.4°	24.1°
C6	C5	C4	C3	159.1°	142.9°
C5	C6	H4	H5	120.0°	119.9°
C5	C6	H4	H6	120.0°	120.0°
C5	C6	H5	H6	120.0°	120.0°
C6	C5	C4	H7	102.5°	98.5°
O5	C5	C4	H3	116.5°	118.8°
O5	C5	C4	O4	108.9°	94.7°
O5	C5	C4	C3	51.6°	24.1°
C5	O5	C2	C1	127.1°	159.3°
C5	O5	C2	O2	122.1°	78.4°
C5	O5	C2	C3	11.2°	40.4°
O5	C5	C6	H4	180.0°	58.6°
O5	C5	C6	H5	60.0°	178.5°
O5	C5	C6	H6	60.0°	61.4°
O5	C5	C4	H7	150.0°	142.6°
C4	C5	O5	C2	23.2°	40.5°
C5	C4	O4	C3	155.6°	114.7°
C5	C4	O4	H7	101.0°	122.6°
C5	C4	C3	H7	98.4°	118.6°
C5	C4	C3	C2	57.9°	0.2°
C4	C5	C6	H4	81.2°	56.8°
C4	C5	C6	H5	158.8°	63.2°
C4	C5	C6	H6	38.8°	176.8°
C5	C4	O4	H8	95.1°	180.0°
C5	C4	C3	H9	58.4°	118.7°
C5	C4	C3	H10	174.2°	118.5°
O5	C2	C3	C4	38.7°	23.8°
O5	C2	C1	O1A	56.8°	8.0°
O5	C2	C1	O2	112.6°	122.3°
O5	C2	C1	C3	133.1°	115.4°
O5	C2	O2	C3	113.0°	115.4°
O5	C2	C1	O1B	143.1°	172.3°
O5	C2	O2	H2	180.0°	63.0°
C2	O5	C5	H3	93.5°	78.3°
O5	C2	C3	H9	77.7°	94.7°
O5	C2	C3	H10	155.0°	142.6°
O4	C4	C3	H7	103.6°	122.7°
O4	C4	C3	C2	100.1°	118.5°
O4	C4	C5	H3	134.6°	146.5°
O4	C4	C3	H9	143.6°	0.0°
O4	C4	C3	H10	16.3°	122.8°
C4	C3	C2	C1	98.4°	142.7°
C4	C3	C2	O2	149.2°	95.1°
C4	C3	C2	H9	116.3°	118.5°
C4	C3	C2	H10	116.3°	118.8°
C3	C4	C5	H3	64.8°	94.7°
C3	C4	O4	H8	60.5°	65.3°
C4	C3	H9	H10	129.8°	122.8°
O1A	C1	C2	O1B	160.1°	179.7°
O1A	C1	C2	O2	169.4°	114.3°
O1A	C1	C2	C3	76.4°	123.4°
O1A	C1	O1B	H1	0.0°	0.0°
C1	C2	O2	C3	124.9°	122.3°
C2	C1	O1B	H1	158.3°	179.7°
C1	C2	O2	H2	57.9°	59.3°
C1	C2	C3	H9	145.2°	24.1°
C1	C2	C3	H10	17.9°	98.5°
O2	C2	C1	O1B	30.5°	65.4°
O2	C2	C3	H9	32.8°	146.4°
O2	C2	C3	H10	94.5°	23.7°
C3	C2	C1	O1B	83.8°	56.8°
C3	C2	O2	H2	67.1°	178.4°
C2	C3	C4	H7	156.3°	118.7°
C2	C3	H9	H10	129.8°	122.6°
H3	C5	C6	H4	55.1°	179.1°
H3	C5	C6	H5	64.9°	59.2°
H3	C5	C6	H6	175.1°	60.9°
H3	C5	C4	H7	33.5°	23.8°
H4	C6	H5	H6	120.0°	120.1°
H7	C4	O4	H8	163.9°	57.4°
H7	C4	C3	H9	40.0°	122.7°
H7	C4	C3	H10	87.3°	0.1°

Release date:	2024-07-10
Definition date:	2024-01-31
Last modified:	2024-07-05
Release status:	REL
Processing site:	PDBJ
Derived from:	8Y46