CRH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.54Å
C1	C13	sing	1.47Å	1.40Å
C1	O1	doub	1.21Å	1.23Å
C2	C3	sing	1.53Å	1.54Å
C2	H21	sing	1.09Å	1.08Å
C2	H22	sing	1.09Å	1.11Å
C3	C4	sing	1.53Å	1.50Å
C3	C1'	sing	1.53Å	1.52Å
C3	H3	sing	1.09Å	1.08Å
C4	C14	sing	1.50Å	1.52Å
C4	H41	sing	1.09Å	1.08Å
C4	H42	sing	1.09Å	1.08Å
C5	C6	doub	1.36Å	1.38Å	Aromatic
C5	C11	sing	1.40Å	1.38Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	C7	sing	1.39Å	1.39Å	Aromatic
C6	H6	sing	1.08Å	1.10Å
C7	C8	doub	1.38Å	1.38Å	Aromatic
C7	C15	sing	1.51Å	1.52Å
C8	C12	sing	1.41Å	1.40Å	Aromatic
C8	O8	sing	1.36Å	1.38Å
C9	C12	doub	1.41Å	1.40Å	Aromatic
C9	C13	sing	1.40Å	1.41Å	Aromatic
C9	O9	sing	1.35Å	1.38Å
C10	C11	doub	1.41Å	1.38Å	Aromatic
C10	C14	sing	1.36Å	1.38Å	Aromatic
C10	H10	sing	1.08Å	1.08Å
C11	C12	sing	1.42Å	1.40Å	Aromatic
C13	C14	doub	1.41Å	1.40Å	Aromatic
C15	H151	sing	1.09Å	1.08Å
C15	H152	sing	1.09Å	1.08Å
C15	H153	sing	1.09Å	1.08Å
O8	HO8	sing	0.97Å	0.96Å
O9	HO9	sing	0.97Å	0.95Å
C1'	C2'	sing	1.51Å	1.54Å
C1'	O1'	sing	1.43Å	1.42Å
C1'	H1'	sing	1.09Å	1.08Å
C2'	C3'	sing	1.51Å	1.53Å
C2'	O2'	doub	1.21Å	1.23Å
C3'	C4'	sing	1.53Å	1.53Å
C3'	O3'	sing	1.43Å	1.43Å
C3'	H3'	sing	1.09Å	1.08Å
C4'	C4M	sing	1.53Å	1.53Å
C4'	O4'	sing	1.43Å	1.42Å
C4'	H4'	sing	1.09Å	1.08Å
C1M	O1'	sing	1.43Å	1.42Å
C1M	H1'1	sing	1.09Å	1.08Å
C1M	H1'2	sing	1.09Å	1.08Å
C1M	H1'3	sing	1.09Å	1.08Å
C4M	H4'1	sing	1.09Å	1.08Å
C4M	H4'2	sing	1.09Å	1.08Å
C4M	H4'3	sing	1.09Å	1.08Å
O3'	HO3	sing	0.97Å	0.96Å
O4'	HO4	sing	0.97Å	0.96Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C13	121.7°	117.7°
C2	C1	O1	118.9°	121.1°
C1	C2	C3	110.7°	107.5°
C1	C2	H21	109.7°	109.9°
C1	C2	H22	111.7°	109.9°
C13	C1	O1	119.4°	121.1°
C1	C13	C9	122.6°	119.3°
C1	C13	C14	119.4°	120.0°
C3	C2	H21	108.8°	109.9°
C3	C2	H22	111.8°	109.8°
C2	C3	C4	110.6°	109.5°
C2	C3	C1'	108.2°	109.6°
C2	C3	H3	108.3°	109.5°
H21	C2	H22	103.9°	109.9°
C4	C3	C1'	118.2°	109.5°
C4	C3	H3	104.4°	109.5°
C3	C4	C14	107.3°	111.2°
C3	C4	H41	112.1°	109.1°
C3	C4	H42	109.7°	109.2°
C1'	C3	H3	106.6°	109.4°
C3	C1'	C2'	113.6°	109.5°
C3	C1'	O1'	119.6°	109.5°
C3	C1'	H1'	97.3°	109.4°
C14	C4	H41	108.5°	109.1°
C14	C4	H42	110.3°	109.2°
C4	C14	C10	117.9°	118.6°
C4	C14	C13	120.7°	121.3°
H41	C4	H42	109.0°	109.0°
C6	C5	C11	121.1°	120.1°
C6	C5	H5	119.8°	120.0°
C5	C6	C7	118.8°	121.1°
C5	C6	H6	120.3°	119.4°
C11	C5	H5	119.0°	119.9°
C5	C11	C10	118.8°	120.9°
C5	C11	C12	120.8°	119.3°
C7	C6	H6	120.9°	119.5°
C6	C7	C8	120.4°	120.6°
C6	C7	C15	121.0°	119.6°
C8	C7	C15	117.7°	119.7°
C7	C8	C12	121.1°	119.5°
C7	C8	O8	115.7°	120.3°
C7	C15	H151	110.5°	109.5°
C7	C15	H152	108.1°	109.5°
C7	C15	H153	105.5°	109.4°
C12	C8	O8	123.2°	120.3°
C8	C12	C9	123.4°	121.2°
C8	C12	C11	117.8°	119.5°
C8	O8	HO8	107.1°	106.8°
C12	C9	C13	121.2°	119.4°
C12	C9	O9	117.0°	120.3°
C9	C12	C11	118.8°	119.3°
C13	C9	O9	121.8°	120.3°
C9	C13	C14	117.8°	120.7°
C9	O9	HO9	117.0°	106.9°
C11	C10	C14	120.7°	120.7°
C11	C10	H10	119.4°	119.7°
C10	C11	C12	120.4°	119.8°
C14	C10	H10	119.9°	119.6°
C10	C14	C13	121.0°	120.1°
H151	C15	H152	114.3°	109.4°
H151	C15	H153	108.5°	109.5°
H152	C15	H153	109.5°	109.4°
C2'	C1'	O1'	110.6°	109.6°
C2'	C1'	H1'	108.8°	109.4°
C1'	C2'	C3'	118.5°	120.1°
C1'	C2'	O2'	121.1°	120.0°
O1'	C1'	H1'	105.2°	109.4°
C1'	O1'	C1M	112.0°	106.9°
C3'	C2'	O2'	120.5°	119.9°
C2'	C3'	C4'	108.4°	109.4°
C2'	C3'	O3'	112.0°	109.5°
C2'	C3'	H3'	110.0°	109.4°
C4'	C3'	O3'	104.2°	109.5°
C4'	C3'	H3'	110.6°	109.5°
C3'	C4'	C4M	114.5°	109.4°
C3'	C4'	O4'	108.5°	109.5°
C3'	C4'	H4'	106.4°	109.5°
O3'	C3'	H3'	111.5°	109.5°
C3'	O3'	HO3	106.2°	106.8°
C4M	C4'	O4'	102.8°	109.4°
C4M	C4'	H4'	112.0°	109.4°
C4'	C4M	H4'1	109.1°	109.5°
C4'	C4M	H4'2	110.9°	109.5°
C4'	C4M	H4'3	110.1°	109.5°
O4'	C4'	H4'	112.8°	109.5°
C4'	O4'	HO4	104.9°	106.9°
O1'	C1M	H1'1	109.6°	109.5°
O1'	C1M	H1'2	108.6°	109.4°
O1'	C1M	H1'3	108.5°	109.5°
H1'1	C1M	H1'2	110.4°	109.5°
H1'1	C1M	H1'3	109.8°	109.5°
H1'2	C1M	H1'3	109.8°	109.5°
H4'1	C4M	H4'2	109.1°	109.4°
H4'1	C4M	H4'3	109.4°	109.4°
H4'2	C4M	H4'3	108.1°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C13	O1	177.4°	180.0°
C1	C2	C3	H21	120.6°	119.6°
C1	C2	C3	H22	125.2°	119.4°
C1	C2	H21	H22	119.6°	121.0°
C1	C2	C3	C4	50.7°	64.2°
C1	C2	C3	C1'	178.4°	175.7°
C1	C2	C3	H3	63.2°	55.8°
C2	C1	C13	C9	175.7°	168.2°
C2	C1	C13	C14	1.0°	11.8°
C13	C1	C2	C3	19.7°	42.8°
C13	C1	C2	H21	100.3°	162.3°
C13	C1	C2	H22	145.0°	76.6°
C1	C13	C14	C4	13.5°	0.8°
C1	C13	C9	C12	173.9°	179.8°
C1	C13	C9	C14	174.7°	180.0°
C1	C13	C9	O9	5.4°	0.3°
C1	C13	C14	C10	173.7°	179.4°
O1	C1	C2	C3	157.7°	137.2°
O1	C1	C2	H21	82.2°	17.7°
O1	C1	C2	H22	32.5°	103.4°
O1	C1	C13	C9	1.8°	11.8°
O1	C1	C13	C14	176.4°	168.2°
C3	C2	H21	H22	119.2°	120.9°
C2	C3	C4	C1'	125.5°	120.1°
C2	C3	C4	H3	116.3°	120.0°
C2	C3	C1'	H3	116.3°	120.0°
C2	C3	C4	C14	61.1°	54.6°
C2	C3	C4	H41	179.9°	65.8°
C2	C3	C4	H42	58.7°	175.2°
C2	C3	C1'	C2'	176.9°	65.4°
C2	C3	C1'	O1'	49.4°	174.4°
C2	C3	C1'	H1'	62.7°	54.5°
H21	C2	C3	C4	69.9°	176.2°
H21	C2	C3	C1'	61.1°	56.2°
H21	C2	C3	H3	176.2°	63.8°
H22	C2	C3	C4	175.9°	55.3°
H22	C2	C3	C1'	53.1°	64.8°
H22	C2	C3	H3	62.0°	175.2°
C4	C3	C1'	H3	117.0°	119.9°
C3	C4	C14	H41	121.3°	120.4°
C3	C4	C14	H42	119.4°	120.6°
C3	C4	H41	H42	121.6°	119.2°
C3	C4	C14	C10	143.3°	157.5°
C3	C4	C14	C13	43.7°	22.7°
C4	C3	C1'	C2'	56.4°	174.5°
C4	C3	C1'	O1'	77.3°	54.3°
C4	C3	C1'	H1'	170.6°	65.6°
C1'	C3	C4	C14	173.4°	174.8°
C1'	C3	C4	H41	54.4°	54.3°
C1'	C3	C4	H42	66.8°	64.7°
C3	C1'	C2'	O1'	137.8°	120.1°
C3	C1'	C2'	H1'	107.1°	119.9°
C3	C1'	O1'	H1'	107.8°	119.9°
C3	C1'	C2'	C3'	94.4°	89.9°
C3	C1'	C2'	O2'	84.2°	90.1°
C3	C1'	O1'	C1M	140.6°	154.4°
H3	C3	C4	C14	55.2°	65.3°
H3	C3	C4	H41	63.8°	174.2°
H3	C3	C4	H42	175.0°	55.2°
H3	C3	C1'	C2'	60.6°	54.6°
H3	C3	C1'	O1'	165.7°	65.6°
H3	C3	C1'	H1'	53.6°	174.5°
C14	C4	H41	H42	120.1°	119.1°
C4	C14	C13	C9	171.6°	179.2°
C4	C14	C10	C11	172.3°	179.3°
C4	C14	C10	C13	172.9°	179.7°
C4	C14	C10	H10	9.6°	0.7°
H41	C4	C14	C10	22.0°	82.1°
H41	C4	C14	C13	165.0°	97.7°
H42	C4	C14	C10	97.3°	36.9°
H42	C4	C14	C13	75.7°	143.3°
C6	C5	C11	H5	179.2°	179.9°
C5	C6	C7	H6	180.0°	179.9°
C5	C6	C7	C8	0.7°	0.1°
C5	C6	C7	C15	168.0°	179.9°
C6	C5	C11	C10	177.3°	179.7°
C6	C5	C11	C12	0.2°	0.2°
C11	C5	C6	C7	0.1°	0.0°
C11	C5	C6	H6	179.9°	179.9°
C5	C11	C12	C8	0.4°	0.3°
C5	C11	C12	C9	176.7°	179.7°
C5	C11	C10	C12	177.5°	179.9°
C5	C11	C10	C14	177.1°	179.9°
C5	C11	C10	H10	0.9°	0.1°
H5	C5	C6	C7	179.3°	179.9°
H5	C5	C6	H6	0.7°	0.2°
H5	C5	C11	C10	2.0°	0.4°
H5	C5	C11	C12	179.4°	179.7°
C6	C7	C8	C15	169.0°	180.0°
C6	C7	C8	C12	1.3°	0.0°
C6	C7	C8	O8	175.4°	179.9°
C6	C7	C15	H151	23.0°	90.0°
C6	C7	C15	H152	148.8°	30.0°
C6	C7	C15	H153	94.1°	149.9°
H6	C6	C7	C8	179.3°	180.0°
H6	C6	C7	C15	12.0°	0.0°
C7	C8	C12	O8	176.5°	179.9°
C7	C8	C12	C9	175.8°	179.8°
C7	C8	C12	C11	1.2°	0.2°
C8	C7	C15	H151	168.0°	90.0°
C8	C7	C15	H152	42.2°	150.0°
C8	C7	C15	H153	74.9°	30.1°
C7	C8	O8	HO8	167.6°	90.0°
C15	C7	C8	C12	167.7°	180.0°
C15	C7	C8	O8	15.6°	0.1°
C7	C15	H151	H152	122.2°	120.1°
C7	C15	H151	H153	115.2°	120.0°
C7	C15	H152	H153	114.5°	119.9°
C8	C12	C9	C11	177.0°	180.0°
C8	C12	C9	C13	177.1°	179.7°
C8	C12	C9	O9	2.3°	0.2°
C8	C12	C11	C10	177.9°	179.6°
C12	C8	O8	HO8	9.0°	90.1°
O8	C8	C12	C9	7.7°	0.1°
O8	C8	C12	C11	175.3°	179.9°
C12	C9	C13	O9	179.3°	179.9°
C9	C12	C11	C10	0.7°	0.4°
C12	C9	C13	C14	0.8°	0.2°
C12	C9	O9	HO9	180.0°	89.9°
C9	C13	C14	C10	1.2°	0.6°
C13	C9	C12	C11	0.1°	0.3°
C13	C9	O9	HO9	0.6°	90.0°
O9	C9	C12	C11	179.3°	179.8°
O9	C9	C13	C14	179.8°	179.7°
C11	C10	C14	H10	178.0°	180.0°
C11	C10	C14	C13	0.6°	0.4°
C14	C10	C11	C12	0.3°	0.0°
H10	C10	C11	C12	178.4°	180.0°
H10	C10	C14	C13	177.4°	179.5°
H151	C15	H152	H153	122.0°	120.0°
C2'	C1'	O1'	H1'	117.3°	120.0°
C1'	C2'	C3'	O2'	178.6°	180.0°
C1'	C2'	C3'	C4'	56.7°	90.0°
C1'	C2'	C3'	O3'	57.7°	150.0°
C1'	C2'	C3'	H3'	177.7°	30.0°
C2'	C1'	O1'	C1M	84.5°	85.5°
O1'	C1'	C2'	C3'	127.7°	149.9°
O1'	C1'	C2'	O2'	53.6°	30.0°
C1'	O1'	C1M	H1'1	58.5°	175.1°
C1'	O1'	C1M	H1'2	62.3°	65.0°
C1'	O1'	C1M	H1'3	178.4°	55.0°
H1'	C1'	C2'	C3'	12.7°	30.0°
H1'	C1'	C2'	O2'	168.7°	150.0°
H1'	C1'	O1'	C1M	32.8°	34.5°
C2'	C3'	C4'	O3'	119.4°	120.1°
C2'	C3'	C4'	H3'	120.6°	119.9°
C2'	C3'	O3'	H3'	123.7°	120.0°
C2'	C3'	C4'	C4M	65.2°	180.0°
C2'	C3'	C4'	O4'	179.4°	60.1°
C2'	C3'	C4'	H4'	59.0°	60.0°
C2'	C3'	O3'	HO3	171.0°	60.0°
O2'	C2'	C3'	C4'	122.0°	90.0°
O2'	C2'	C3'	O3'	123.6°	30.0°
O2'	C2'	C3'	H3'	0.9°	150.0°
C4'	C3'	O3'	H3'	119.4°	120.0°
C3'	C4'	C4M	O4'	117.4°	120.0°
C3'	C4'	C4M	H4'	121.2°	120.0°
C3'	C4'	O4'	H4'	117.6°	120.1°
C3'	C4'	C4M	H4'1	59.4°	180.0°
C3'	C4'	C4M	H4'2	60.8°	60.0°
C3'	C4'	C4M	H4'3	179.6°	60.0°
C4'	C3'	O3'	HO3	54.0°	60.0°
C3'	C4'	O4'	HO4	173.9°	60.0°
O3'	C3'	C4'	C4M	175.4°	60.0°
O3'	C3'	C4'	O4'	61.2°	60.0°
O3'	C3'	C4'	H4'	60.4°	179.9°
H3'	C3'	C4'	C4M	55.4°	60.0°
H3'	C3'	C4'	O4'	58.8°	180.0°
H3'	C3'	C4'	H4'	179.6°	59.9°
H3'	C3'	O3'	HO3	65.4°	180.0°
C4M	C4'	O4'	H4'	120.8°	119.9°
C4'	C4M	H4'1	H4'2	121.3°	120.0°
C4'	C4M	H4'1	H4'3	120.6°	120.0°
C4'	C4M	H4'2	H4'3	120.8°	120.1°
C4M	C4'	O4'	HO4	52.3°	60.0°
O4'	C4'	C4M	H4'1	58.0°	60.0°
O4'	C4'	C4M	H4'2	178.2°	180.0°
O4'	C4'	C4M	H4'3	62.2°	60.0°
H4'	C4'	C4M	H4'1	179.3°	60.0°
H4'	C4'	C4M	H4'2	60.5°	60.0°
H4'	C4'	C4M	H4'3	59.2°	180.0°
H4'	C4'	O4'	HO4	68.5°	179.9°
O1'	C1M	H1'1	H1'2	119.6°	120.0°
O1'	C1M	H1'1	H1'3	119.1°	120.0°
O1'	C1M	H1'2	H1'3	118.5°	120.0°
H1'1	C1M	H1'2	H1'3	121.3°	120.0°
H4'1	C4M	H4'2	H4'3	119.0°	119.9°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB