CAX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C10	sing	1.43Å	1.25Å
O3	HO3	sing	0.97Å	0.95Å
C10	O2	sing	1.43Å	1.24Å
C10	C9	sing	1.53Å	1.52Å
C10	H10	sing	1.09Å	1.12Å
O2	HO2	sing	0.97Å	0.95Å
C9	C1	sing	1.53Å	1.54Å
C9	H91	sing	1.09Å	1.12Å
C9	H92	sing	1.09Å	1.12Å
C1	C2	sing	1.55Å	1.55Å
C1	C5	sing	1.55Å	1.53Å
C1	H1	sing	1.09Å	1.12Å
C2	C8	sing	1.53Å	1.54Å
C2	C7	sing	1.53Å	1.54Å
C2	C3	sing	1.54Å	1.54Å
C8	H81	sing	1.09Å	1.11Å
C8	H82	sing	1.09Å	1.12Å
C8	H83	sing	1.09Å	1.12Å
C7	H71	sing	1.09Å	1.11Å
C7	H72	sing	1.09Å	1.11Å
C7	H73	sing	1.09Å	1.12Å
C3	C6	sing	1.53Å	1.52Å
C3	C4	sing	1.51Å	1.54Å
C3	H3	sing	1.09Å	1.12Å
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.11Å
C6	H63	sing	1.09Å	1.12Å
C4	O1	doub	1.21Å	1.40Å
C4	C5	sing	1.52Å	1.53Å
C5	H51	sing	1.09Å	1.12Å
C5	H52	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	O3	HO3	123.5°	106.9°
O3	C10	O2	123.5°	109.4°
O3	C10	C9	120.8°	109.5°
O3	C10	H10	26.7°	109.5°
O2	C10	C9	115.7°	109.5°
O2	C10	H10	101.5°	109.5°
C10	O2	HO2	123.5°	106.9°
C9	C10	H10	139.9°	109.4°
C10	C9	C1	114.5°	109.5°
C10	C9	H91	110.4°	109.5°
C10	C9	H92	110.4°	109.4°
C1	C9	H91	110.4°	109.5°
C1	C9	H92	110.4°	109.5°
C9	C1	C2	119.1°	111.0°
C9	C1	C5	108.3°	110.8°
C9	C1	H1	101.9°	110.7°
H91	C9	H92	99.8°	109.5°
C2	C1	C5	103.8°	102.4°
C2	C1	H1	106.6°	110.8°
C1	C2	C8	114.9°	110.6°
C1	C2	C7	107.0°	110.6°
C1	C2	C3	104.1°	103.7°
C5	C1	H1	117.7°	110.8°
C1	C5	C4	103.2°	104.4°
C1	C5	H51	114.5°	110.5°
C1	C5	H52	114.6°	110.5°
C8	C2	C7	106.5°	110.6°
C8	C2	C3	113.7°	110.6°
C2	C8	H81	114.9°	109.5°
C2	C8	H82	110.2°	109.4°
C2	C8	H83	110.3°	109.5°
C7	C2	C3	110.5°	110.6°
C2	C7	H71	107.0°	109.5°
C2	C7	H72	113.1°	109.5°
C2	C7	H73	113.1°	109.5°
C2	C3	C6	120.0°	110.0°
C2	C3	C4	105.3°	106.9°
C2	C3	H3	108.2°	110.0°
H81	C8	H82	110.3°	109.5°
H81	C8	H83	110.2°	109.5°
H82	C8	H83	100.0°	109.5°
H71	C7	H72	113.2°	109.4°
H71	C7	H73	113.2°	109.4°
H72	C7	H73	97.3°	109.5°
C6	C3	C4	116.7°	110.0°
C6	C3	H3	93.9°	109.9°
C3	C6	H61	119.9°	109.5°
C3	C6	H62	108.4°	109.4°
C3	C6	H63	108.4°	109.5°
C4	C3	H3	112.2°	109.9°
C3	C4	O1	121.4°	126.4°
C3	C4	C5	108.2°	107.3°
H61	C6	H62	108.5°	109.5°
H61	C6	H63	108.5°	109.5°
H62	C6	H63	101.6°	109.5°
O1	C4	C5	114.5°	126.3°
C4	C5	H51	114.6°	110.4°
C4	C5	H52	114.6°	110.4°
H51	C5	H52	95.9°	110.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C10	O2	C9	178.7°	120.0°
O3	C10	O2	H10	16.6°	120.0°
O3	C10	C9	H10	25.0°	120.0°
O3	C10	O2	HO2	180.0°	60.1°
O3	C10	C9	C1	77.8°	180.0°
O3	C10	C9	H91	47.5°	60.0°
O3	C10	C9	H92	156.9°	60.0°
HO3	O3	C10	O2	179.9°	60.0°
HO3	O3	C10	C9	1.4°	180.0°
HO3	O3	C10	H10	141.5°	60.0°
O2	C10	C9	H10	156.3°	120.0°
O2	C10	C9	C1	100.9°	60.0°
O2	C10	C9	H91	133.7°	180.0°
O2	C10	C9	H92	24.3°	60.0°
C9	C10	O2	HO2	1.3°	60.0°
C10	C9	C1	H91	125.3°	120.0°
C10	C9	C1	H92	125.3°	120.0°
C10	C9	H91	H92	116.2°	119.9°
C10	C9	C1	C2	50.4°	174.5°
C10	C9	C1	C5	67.8°	61.5°
C10	C9	C1	H1	167.3°	62.0°
H10	C10	O2	HO2	163.4°	179.9°
H10	C10	C9	C1	102.8°	60.0°
H10	C10	C9	H91	22.5°	60.0°
H10	C10	C9	H92	131.9°	180.0°
C1	C9	H91	H92	116.2°	120.1°
C9	C1	C2	C5	120.6°	118.3°
C9	C1	C2	H1	114.4°	123.5°
C9	C1	C5	H1	114.9°	123.4°
C9	C1	C2	C8	41.8°	36.9°
C9	C1	C2	C7	159.8°	86.0°
C9	C1	C2	C3	83.2°	155.4°
C9	C1	C5	C4	89.5°	156.1°
C9	C1	C5	H51	35.7°	85.3°
C9	C1	C5	H52	145.2°	37.4°
H91	C9	C1	C2	175.7°	54.5°
H91	C9	C1	C5	57.5°	58.5°
H91	C9	C1	H1	67.3°	178.0°
H92	C9	C1	C2	74.9°	65.5°
H92	C9	C1	C5	166.9°	178.6°
H92	C9	C1	H1	42.1°	58.0°
C2	C1	C5	H1	117.6°	118.2°
C1	C2	C8	C7	118.3°	122.9°
C1	C2	C8	C3	119.7°	114.2°
C1	C2	C7	C3	112.7°	114.3°
C1	C2	C8	H81	180.0°	179.9°
C1	C2	C8	H82	54.7°	60.0°
C1	C2	C8	H83	54.7°	59.9°
C1	C2	C7	H71	180.0°	180.0°
C1	C2	C7	H72	54.7°	60.0°
C1	C2	C7	H73	54.7°	60.0°
C1	C2	C3	C6	155.8°	96.3°
C1	C2	C3	C4	21.7°	23.1°
C1	C2	C3	H3	98.4°	142.4°
C2	C1	C5	C4	38.0°	37.6°
C2	C1	C5	H51	163.3°	156.3°
C2	C1	C5	H52	87.3°	81.0°
C5	C1	C2	C8	162.4°	81.4°
C5	C1	C2	C7	79.6°	155.7°
C5	C1	C2	C3	37.4°	37.1°
C1	C5	C4	C3	24.7°	23.8°
C1	C5	C4	O1	163.6°	156.2°
C1	C5	C4	H51	125.2°	118.8°
C1	C5	C4	H52	125.3°	118.7°
C1	C5	H51	H52	120.4°	122.6°
H1	C1	C2	C8	72.6°	160.3°
H1	C1	C2	C7	45.4°	37.4°
H1	C1	C2	C3	162.4°	81.1°
H1	C1	C5	C4	155.6°	80.6°
H1	C1	C5	H51	79.1°	38.1°
H1	C1	C5	H52	30.3°	160.8°
C8	C2	C7	C3	124.0°	122.8°
C2	C8	H81	H82	125.3°	120.0°
C2	C8	H81	H83	125.3°	120.0°
C2	C8	H82	H83	116.1°	120.0°
C8	C2	C7	H71	56.6°	57.1°
C8	C2	C7	H72	178.0°	177.1°
C8	C2	C7	H73	68.6°	62.9°
C8	C2	C3	C6	78.5°	145.2°
C8	C2	C3	C4	147.4°	95.4°
C8	C2	C3	H3	27.3°	23.9°
C7	C2	C8	H81	61.7°	57.1°
C7	C2	C8	H82	63.6°	62.9°
C7	C2	C8	H83	173.0°	177.2°
C2	C7	H71	H72	125.3°	120.0°
C2	C7	H71	H73	125.2°	120.0°
C2	C7	H72	H73	119.0°	120.0°
C7	C2	C3	C6	41.3°	22.3°
C7	C2	C3	C4	92.8°	141.7°
C7	C2	C3	H3	147.0°	99.0°
C3	C2	C8	H81	60.2°	65.7°
C3	C2	C8	H82	174.5°	174.3°
C3	C2	C8	H83	65.0°	54.3°
C3	C2	C7	H71	67.3°	65.7°
C3	C2	C7	H72	58.0°	54.3°
C3	C2	C7	H73	167.4°	174.3°
C2	C3	C6	C4	129.1°	117.5°
C2	C3	C6	H3	113.6°	121.3°
C2	C3	C4	H3	117.5°	119.4°
C2	C3	C6	H61	180.0°	179.5°
C2	C3	C6	H62	54.7°	59.4°
C2	C3	C6	H63	54.7°	60.5°
C2	C3	C4	O1	137.1°	179.7°
C2	C3	C4	C5	1.7°	0.3°
H81	C8	H82	H83	116.0°	120.0°
H71	C7	H72	H73	119.1°	119.9°
C6	C3	C4	H3	106.7°	121.2°
C3	C6	H61	H62	125.3°	120.0°
C3	C6	H61	H63	125.2°	120.1°
C3	C6	H62	H63	114.1°	120.0°
C6	C3	C4	O1	1.3°	60.2°
C6	C3	C4	C5	134.2°	119.8°
C4	C3	C6	H61	50.9°	61.9°
C4	C3	C6	H62	74.4°	58.1°
C4	C3	C6	H63	176.1°	178.0°
C3	C4	O1	C5	132.9°	180.0°
C3	C4	C5	H51	150.0°	142.5°
C3	C4	C5	H52	100.5°	95.0°
H3	C3	C6	H61	66.4°	59.2°
H3	C3	C6	H62	168.3°	179.2°
H3	C3	C6	H63	58.9°	60.8°
H3	C3	C4	O1	105.4°	61.0°
H3	C3	C4	C5	119.1°	119.0°
H61	C6	H62	H63	114.1°	120.0°
O1	C4	C5	H51	71.2°	37.5°
O1	C4	C5	H52	38.3°	85.0°
C4	C5	H51	H52	120.5°	122.4°

Definition date:	2004-04-22
Last modified:	2021-03-13
Release status:	REL
Processing site:	RCSB
Derived from:	1SZO