Obsolete: BAR

BAR was replaced with TSA on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C'	C1	doub	1.29Å	1.36Å
C'	C4	sing	1.50Å	1.52Å
C'	H'	sing	1.08Å	1.10Å
C1	C2	sing	1.51Å	1.52Å
C1	H1	sing	1.08Å	1.10Å
C2	C3	sing	1.54Å	1.53Å
C2	C6	sing	1.54Å	1.52Å
C2	C8	sing	1.51Å	1.53Å
C3	C5	sing	1.53Å	1.55Å
C3	H31	sing	1.09Å	1.12Å
C3	H32	sing	1.09Å	1.12Å
C4	C5	sing	1.52Å	1.54Å
C4	O1	sing	1.43Å	1.41Å
C4	H4	sing	1.09Å	1.11Å
C5	O'	sing	1.41Å	1.41Å
C5	H5	sing	1.09Å	1.12Å
C6	C7	sing	1.53Å	1.53Å
C6	H61	sing	1.09Å	1.12Å
C6	H62	sing	1.09Å	1.11Å
C7	C9	sing	1.51Å	1.54Å
C7	O'	sing	1.42Å	1.41Å
C7	H7	sing	1.09Å	1.12Å
C8	O4	doub	1.21Å	1.24Å
C8	O5	sing	1.34Å	1.26Å
C9	O2	doub	1.21Å	1.23Å
C9	O3	sing	1.34Å	1.22Å
O1	HO1	sing	0.97Å	0.95Å
O3	HO3	sing	0.97Å	0.95Å
O5	HO5	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C'	C4	124.1°	124.9°
C1	C'	H'	111.9°	117.6°
C'	C1	C2	122.6°	122.9°
C'	C1	H1	113.0°	118.5°
C4	C'	H'	124.0°	117.5°
C'	C4	C5	109.2°	111.6°
C'	C4	O1	106.5°	109.1°
C'	C4	H4	113.8°	109.0°
C2	C1	H1	124.4°	118.6°
C1	C2	C3	109.8°	108.3°
C1	C2	C6	107.3°	106.9°
C1	C2	C8	108.3°	111.3°
C3	C2	C6	110.3°	106.8°
C3	C2	C8	110.1°	111.3°
C2	C3	C5	105.0°	107.7°
C2	C3	H31	113.9°	109.8°
C2	C3	H32	113.9°	109.8°
C6	C2	C8	110.8°	112.0°
C2	C6	C7	113.2°	106.5°
C2	C6	H61	110.8°	111.8°
C2	C6	H62	110.9°	108.8°
C2	C8	O4	115.1°	120.0°
C2	C8	O5	120.8°	120.0°
C5	C3	H31	113.9°	109.8°
C5	C3	H32	113.9°	109.8°
C3	C5	C4	115.4°	109.9°
C3	C5	O'	110.6°	112.0°
C3	C5	H5	104.4°	107.5°
H31	C3	H32	96.5°	109.8°
C5	C4	O1	115.4°	109.0°
C5	C4	H4	104.7°	109.0°
C4	C5	O'	109.5°	112.1°
C4	C5	H5	105.7°	107.5°
O1	C4	H4	107.4°	109.1°
C4	O1	HO1	106.5°	106.8°
O'	C5	H5	111.0°	107.6°
C5	O'	C7	121.8°	110.1°
C7	C6	H61	110.9°	109.8°
C7	C6	H62	110.9°	109.9°
C6	C7	C9	116.7°	110.8°
C6	C7	O'	111.7°	109.2°
C6	C7	H7	102.5°	108.6°
H61	C6	H62	99.4°	110.0°
C9	C7	O'	109.6°	109.4°
C9	C7	H7	105.1°	109.4°
C7	C9	O2	120.2°	120.0°
C7	C9	O3	118.7°	119.9°
O'	C7	H7	110.8°	109.4°
O4	C8	O5	124.1°	120.0°
C8	O5	HO5	120.8°	120.0°
O2	C9	O3	121.1°	120.1°
C9	O3	HO3	118.7°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C'	C4	H'	180.0°	179.8°
C'	C1	C2	H1	180.0°	179.9°
C'	C1	C2	C3	23.3°	25.8°
C'	C1	C2	C6	96.7°	89.0°
C'	C1	C2	C8	143.6°	148.4°
C1	C'	C4	C5	3.6°	9.0°
C1	C'	C4	O1	128.8°	111.5°
C1	C'	C4	H4	113.0°	129.5°
C4	C'	C1	C2	9.2°	1.5°
C4	C'	C1	H1	170.8°	178.5°
C'	C4	C5	C3	34.9°	41.1°
C'	C4	C5	O1	119.9°	120.5°
C'	C4	C5	H4	122.2°	120.5°
C'	C4	O1	H4	122.4°	119.0°
C'	C4	C5	O'	90.7°	84.2°
C'	C4	C5	H5	149.7°	157.8°
C'	C4	O1	HO1	179.9°	59.0°
H'	C'	C1	C2	170.8°	178.6°
H'	C'	C1	H1	9.2°	1.3°
H'	C'	C4	C5	176.4°	171.1°
H'	C'	C4	O1	51.2°	68.3°
H'	C'	C4	H4	67.1°	50.6°
C1	C2	C3	C6	118.1°	114.8°
C1	C2	C3	C8	119.2°	122.7°
C1	C2	C6	C8	118.1°	122.2°
C1	C2	C3	C5	56.0°	56.4°
C1	C2	C3	H31	69.3°	63.1°
C1	C2	C3	H32	178.7°	176.0°
C1	C2	C6	C7	65.5°	54.1°
C1	C2	C6	H61	169.2°	174.1°
C1	C2	C6	H62	59.8°	64.3°
C1	C2	C8	O4	35.9°	119.9°
C1	C2	C8	O5	144.1°	59.9°
H1	C1	C2	C3	156.7°	154.3°
H1	C1	C2	C6	83.3°	91.0°
H1	C1	C2	C8	36.4°	31.7°
C3	C2	C6	C8	122.2°	122.0°
C2	C3	C5	H31	125.3°	119.6°
C2	C3	C5	H32	125.3°	119.6°
C2	C3	H31	H32	119.8°	120.9°
C2	C3	C5	C4	65.6°	66.3°
C2	C3	C5	O'	59.4°	59.0°
C2	C3	C5	H5	178.9°	177.0°
C3	C2	C6	C7	54.1°	61.7°
C3	C2	C6	H61	71.1°	58.3°
C3	C2	C6	H62	179.5°	180.0°
C3	C2	C8	O4	156.1°	1.0°
C3	C2	C8	O5	24.0°	179.1°
C6	C2	C3	C5	62.1°	58.4°
C6	C2	C3	H31	172.6°	177.9°
C6	C2	C3	H32	63.2°	61.2°
C2	C6	C7	H61	125.2°	121.3°
C2	C6	C7	H62	125.3°	117.7°
C2	C6	H61	H62	116.7°	121.0°
C2	C6	C7	C9	87.5°	55.6°
C2	C6	C7	O'	39.6°	65.0°
C2	C6	C7	H7	158.3°	175.8°
C6	C2	C8	O4	81.6°	120.5°
C6	C2	C8	O5	98.4°	59.7°
C8	C2	C3	C5	175.3°	179.1°
C8	C2	C3	H31	50.0°	59.6°
C8	C2	C3	H32	59.4°	61.3°
C8	C2	C6	C7	176.4°	176.3°
C8	C2	C6	H61	51.1°	63.7°
C8	C2	C6	H62	58.3°	57.9°
C2	C8	O4	O5	180.0°	179.8°
C2	C8	O5	HO5	180.0°	179.9°
C5	C3	H31	H32	119.8°	120.9°
C3	C5	C4	O'	125.5°	125.2°
C3	C5	C4	H5	114.8°	116.7°
C3	C5	C4	O1	85.1°	79.5°
C3	C5	C4	H4	157.1°	161.6°
C3	C5	O'	H5	115.4°	118.0°
C3	C5	O'	C7	52.4°	62.1°
H31	C3	C5	C4	59.7°	53.3°
H31	C3	C5	O'	175.3°	178.6°
H31	C3	C5	H5	55.8°	63.4°
H32	C3	C5	C4	169.2°	174.1°
H32	C3	C5	O'	65.9°	60.6°
H32	C3	C5	H5	53.6°	57.4°
C5	C4	O1	H4	116.3°	119.0°
C4	C5	O'	H5	116.3°	117.9°
C4	C5	O'	C7	75.8°	62.0°
C5	C4	O1	HO1	58.6°	179.0°
O1	C4	C5	O'	149.4°	155.3°
O1	C4	C5	H5	29.8°	37.3°
H4	C4	C5	O'	31.6°	36.3°
H4	C4	C5	H5	88.1°	81.7°
H4	C4	O1	HO1	57.7°	60.0°
C5	O'	C7	C6	40.7°	64.7°
C5	O'	C7	C9	90.3°	56.7°
C5	O'	C7	H7	154.3°	176.5°
H5	C5	O'	C7	167.8°	179.9°
C7	C6	H61	H62	116.8°	121.0°
C6	C7	C9	O'	128.2°	120.4°
C6	C7	C9	H7	112.7°	119.8°
C6	C7	O'	H7	113.6°	118.8°
C6	C7	C9	O2	140.0°	153.4°
C6	C7	C9	O3	39.9°	26.8°
H61	C6	C7	C9	147.2°	176.8°
H61	C6	C7	O'	85.6°	56.3°
H61	C6	C7	H7	33.0°	63.0°
H62	C6	C7	C9	37.8°	62.1°
H62	C6	C7	O'	164.9°	177.4°
H62	C6	C7	H7	76.4°	58.1°
C9	C7	O'	H7	115.5°	119.8°
C7	C9	O2	O3	179.9°	179.9°
C7	C9	O3	HO3	180.0°	180.0°
O'	C7	C9	O2	11.8°	33.0°
O'	C7	C9	O3	168.1°	147.2°
H7	C7	C9	O2	107.3°	86.9°
H7	C7	C9	O3	72.8°	93.0°
O4	C8	O5	HO5	0.0°	0.1°
O2	C9	O3	HO3	0.1°	0.1°

Definition date:	1999-07-08
Last modified:	2008-10-14
Release status:	OBS
Processing site:	RCSB
Replaced by:	TSA
Derived from:	4CSM