Obsolete: HAC

HAC was replaced with ALC on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.54Å
C1	C6	sing	1.53Å	1.52Å
C1	C7	sing	1.53Å	1.53Å
C1	H1	sing	1.10Å	1.10Å
C2	C3	sing	1.53Å	1.55Å
C2	H21	sing	1.10Å	1.10Å
C2	H22	sing	1.10Å	1.10Å
C3	C4	sing	1.53Å	1.51Å
C3	H31	sing	1.10Å	1.10Å
C3	H32	sing	1.10Å	1.10Å
C4	C5	sing	1.53Å	1.48Å
C4	H41	sing	1.10Å	1.10Å
C4	H42	sing	1.10Å	1.10Å
C5	C6	sing	1.53Å	1.55Å
C5	H51	sing	1.10Å	1.10Å
C5	H52	sing	1.10Å	1.10Å
C6	H61	sing	1.10Å	1.10Å
C6	H62	sing	1.10Å	1.10Å
C7	C8	sing	1.53Å	1.55Å
C7	H71	sing	1.10Å	1.10Å
C7	H72	sing	1.10Å	1.10Å
C8	C9	sing	1.52Å	1.54Å
C8	N8	sing	1.44Å	1.47Å
C8	H8	sing	1.10Å	1.10Å
C9	O1	doub	1.23Å	1.25Å
C9	O2	sing	1.35Å	1.32Å
N8	HN81	sing	1.01Å	1.00Å
N8	HN82	sing	1.01Å	1.00Å
O2	HO2	sing	0.98Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	109.1°	110.9°
C2	C1	C7	110.3°	110.7°
C2	C1	H1	109.4°	108.5°
C1	C2	C3	113.9°	111.6°
C1	C2	H21	108.0°	109.9°
C1	C2	H22	107.0°	109.8°
C6	C1	C7	110.3°	110.7°
C6	C1	H1	109.5°	108.5°
C1	C6	C5	114.0°	111.7°
C1	C6	H61	108.0°	109.7°
C1	C6	H62	106.9°	109.9°
C7	C1	H1	108.2°	107.5°
C1	C7	C8	117.6°	114.3°
C1	C7	H71	106.8°	108.1°
C1	C7	H72	105.0°	108.3°
C3	C2	H21	108.0°	109.4°
C3	C2	H22	107.0°	109.3°
C2	C3	C4	110.1°	111.7°
C2	C3	H31	109.3°	109.4°
C2	C3	H32	109.2°	109.6°
H21	C2	H22	113.0°	106.8°
C4	C3	H31	109.3°	109.5°
C4	C3	H32	109.1°	109.7°
C3	C4	C5	107.4°	111.5°
C3	C4	H41	110.2°	109.4°
C3	C4	H42	110.6°	109.7°
H31	C3	H32	109.9°	106.8°
C5	C4	H41	110.1°	109.4°
C5	C4	H42	110.6°	109.7°
C4	C5	C6	111.4°	111.6°
C4	C5	H51	108.8°	109.6°
C4	C5	H52	108.4°	109.5°
H41	C4	H42	107.9°	106.9°
C6	C5	H51	108.8°	109.6°
C6	C5	H52	108.4°	109.4°
C5	C6	H61	108.0°	109.3°
C5	C6	H62	107.0°	109.3°
H51	C5	H52	111.0°	107.0°
H61	C6	H62	113.1°	106.8°
C8	C7	H71	106.9°	109.4°
C8	C7	H72	105.0°	109.5°
C7	C8	C9	109.7°	111.9°
C7	C8	N8	111.3°	111.6°
C7	C8	H8	108.4°	108.9°
H71	C7	H72	116.1°	106.9°
C9	C8	N8	110.6°	112.1°
C9	C8	H8	109.2°	106.4°
C8	C9	O1	122.1°	123.7°
C8	C9	O2	114.7°	113.4°
N8	C8	H8	107.6°	105.6°
C8	N8	HN81	109.5°	119.1°
C8	N8	HN82	109.4°	119.0°
O1	C9	O2	123.2°	122.9°
C9	O2	HO2	109.5°	112.0°
HN81	N8	HN82	109.5°	120.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	C7	121.3°	123.3°
C2	C1	C6	H1	119.7°	119.0°
C2	C1	C7	H1	119.7°	118.3°
C1	C2	C3	H21	120.0°	121.8°
C1	C2	C3	H22	118.0°	121.6°
C1	C2	H21	H22	118.1°	119.0°
C1	C2	C3	C4	57.0°	54.8°
C1	C2	C3	H31	63.0°	66.7°
C1	C2	C3	H32	176.7°	176.5°
C2	C1	C6	C5	47.1°	54.6°
C2	C1	C6	H61	72.9°	66.7°
C2	C1	C6	H62	165.1°	176.1°
C2	C1	C7	C8	170.4°	62.2°
C2	C1	C7	H71	69.6°	60.0°
C2	C1	C7	H72	54.2°	175.5°
C6	C1	C7	H1	119.7°	118.3°
C6	C1	C2	C3	47.9°	54.6°
C6	C1	C2	H21	167.9°	176.1°
C6	C1	C2	H22	70.1°	66.7°
C1	C6	C5	C4	56.8°	54.8°
C1	C6	C5	H61	120.0°	121.6°
C1	C6	C5	H62	118.0°	121.8°
C1	C6	C5	H51	63.2°	176.4°
C1	C6	C5	H52	176.0°	66.5°
C1	C6	H61	H62	118.1°	119.1°
C6	C1	C7	C8	69.0°	174.5°
C6	C1	C7	H71	51.0°	63.4°
C6	C1	C7	H72	174.8°	52.1°
C7	C1	C2	C3	169.2°	177.8°
C7	C1	C2	H21	70.7°	60.6°
C7	C1	C2	H22	51.2°	56.5°
C7	C1	C6	C5	168.5°	177.9°
C7	C1	C6	H61	48.5°	56.5°
C7	C1	C6	H62	73.5°	60.6°
C1	C7	C8	H71	120.0°	121.4°
C1	C7	C8	H72	116.2°	121.7°
C1	C7	H71	H72	116.7°	116.4°
C1	C7	C8	C9	176.6°	178.5°
C1	C7	C8	N8	60.7°	52.1°
C1	C7	C8	H8	57.4°	64.1°
H1	C1	C2	C3	71.8°	64.5°
H1	C1	C2	H21	48.2°	57.1°
H1	C1	C2	H22	170.1°	174.2°
H1	C1	C6	C5	72.6°	64.4°
H1	C1	C6	H61	167.4°	174.2°
H1	C1	C6	H62	45.4°	57.1°
H1	C1	C7	C8	50.7°	56.2°
H1	C1	C7	H71	170.7°	178.3°
H1	C1	C7	H72	65.5°	66.2°
C3	C2	H21	H22	118.2°	118.1°
C2	C3	C4	H31	120.0°	121.4°
C2	C3	C4	H32	119.8°	121.7°
C2	C3	H31	H32	119.8°	118.6°
C2	C3	C4	C5	62.1°	54.5°
C2	C3	C4	H41	177.9°	66.7°
C2	C3	C4	H42	58.7°	176.2°
H21	C2	C3	C4	177.0°	176.6°
H21	C2	C3	H31	57.0°	55.2°
H21	C2	C3	H32	63.3°	61.6°
H22	C2	C3	C4	61.1°	66.8°
H22	C2	C3	H31	178.9°	171.8°
H22	C2	C3	H32	58.7°	54.9°
C4	C3	H31	H32	119.7°	118.7°
C3	C4	C5	H41	120.0°	121.2°
C3	C4	C5	H42	120.8°	121.8°
C3	C4	H41	H42	120.9°	118.8°
C3	C4	C5	C6	62.1°	54.4°
C3	C4	C5	H51	57.9°	176.1°
C3	C4	C5	H52	178.7°	66.8°
H31	C3	C4	C5	57.9°	66.9°
H31	C3	C4	H41	62.1°	171.9°
H31	C3	C4	H42	178.7°	54.8°
H32	C3	C4	C5	178.1°	176.2°
H32	C3	C4	H41	58.1°	55.0°
H32	C3	C4	H42	61.1°	62.1°
C5	C4	H41	H42	120.8°	118.7°
C4	C5	C6	H51	120.0°	121.7°
C4	C5	C6	H52	119.2°	121.3°
C4	C5	H51	H52	119.2°	118.6°
C4	C5	C6	H61	63.2°	66.8°
C4	C5	C6	H62	174.8°	176.6°
H41	C4	C5	C6	177.9°	66.8°
H41	C4	C5	H51	62.2°	54.9°
H41	C4	C5	H52	58.7°	172.0°
H42	C4	C5	C6	58.7°	176.2°
H42	C4	C5	H51	178.7°	62.1°
H42	C4	C5	H52	60.5°	55.0°
C6	C5	H51	H52	119.2°	118.5°
C5	C6	H61	H62	118.2°	118.2°
H51	C5	C6	H61	176.8°	54.8°
H51	C5	C6	H62	54.8°	61.7°
H52	C5	C6	H61	56.0°	171.9°
H52	C5	C6	H62	66.0°	55.3°
C8	C7	H71	H72	116.7°	118.5°
C7	C8	C9	N8	123.1°	126.2°
C7	C8	C9	H8	118.7°	118.9°
C7	C8	N8	H8	118.6°	118.2°
C7	C8	C9	O1	91.6°	121.2°
C7	C8	C9	O2	90.6°	59.4°
C7	C8	N8	HN81	38.9°	89.2°
C7	C8	N8	HN82	81.1°	104.2°
H71	C7	C8	C9	56.6°	60.0°
H71	C7	C8	N8	179.3°	173.5°
H71	C7	C8	H8	62.6°	57.3°
H72	C7	C8	C9	67.2°	56.8°
H72	C7	C8	N8	55.5°	69.6°
H72	C7	C8	H8	173.6°	174.2°
C9	C8	N8	H8	119.1°	115.4°
C8	C9	O1	O2	177.7°	179.4°
C9	C8	N8	HN81	83.4°	37.2°
C9	C8	N8	HN82	156.6°	129.5°
C8	C9	O2	HO2	177.8°	179.5°
N8	C8	C9	O1	31.6°	5.1°
N8	C8	C9	O2	146.3°	174.4°
C8	N8	HN81	HN82	120.0°	166.4°
H8	C8	C9	O1	149.7°	120.0°
H8	C8	C9	O2	28.1°	59.5°
H8	C8	N8	HN81	157.5°	152.6°
H8	C8	N8	HN82	37.5°	14.0°
O1	C9	O2	HO2	0.0°	0.1°

Definition date:	1999-07-08
Last modified:	2009-01-07
Release status:	OBS
Processing site:	RCSB
Replaced by:	ALC
Derived from:	1D5M