GHR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	doub	1.29Å	1.33Å
N5	C1	sing	1.39Å	1.39Å
C5	N5	sing	1.47Å	1.48Å
C5	H5	sing	1.09Å	1.10Å
C6	C5	sing	1.53Å	1.52Å
C6	O6	sing	1.43Å	1.41Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å
C4	C5	sing	1.53Å	1.55Å
C4	C3	sing	1.53Å	1.52Å
C4	H4	sing	1.09Å	1.10Å
O4	C4	sing	1.43Å	1.41Å
O4	HO4	sing	0.97Å	0.95Å
C3	C2	sing	1.53Å	1.51Å
C3	H3	sing	1.09Å	1.10Å
O3	C3	sing	1.43Å	1.41Å
O3	HO3	sing	0.97Å	0.95Å
C2	C1	sing	1.51Å	1.53Å
C2	O2	sing	1.43Å	1.41Å
C2	H2	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å
N1	O7	sing	1.22Å	1.37Å
C12	CL12	sing	1.74Å	1.74Å
C11	C12	doub	1.38Å	1.38Å	Aromatic
C11	H11	sing	1.08Å	1.08Å
C10	C11	sing	1.38Å	1.38Å	Aromatic
C10	H10	sing	1.08Å	1.08Å
C13	C12	sing	1.38Å	1.39Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C14	C13	doub	1.38Å	1.39Å	Aromatic
C14	H14	sing	1.08Å	1.08Å
C9	C10	doub	1.39Å	1.39Å	Aromatic
C9	C14	sing	1.39Å	1.39Å	Aromatic
N9	C9	sing	1.40Å	1.33Å
N9	HN9	sing	0.97Å	1.00Å
C8	N9	sing	1.35Å	1.34Å
C8	O7	sing	1.35Å	1.37Å
O8	C8	doub	1.22Å	1.23Å
N5	H16	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C1	N5	121.9°	121.3°
N1	C1	C2	120.2°	121.3°
C1	N1	O7	127.8°	120.0°
C1	N5	C5	123.3°	117.6°
N5	C1	C2	117.9°	117.4°
C1	N5	H16	118.4°	121.2°
N5	C5	H5	105.3°	109.6°
N5	C5	C6	111.5°	109.6°
N5	C5	C4	114.3°	108.8°
C5	N5	H16	118.3°	121.2°
H5	C5	C6	108.3°	109.6°
H5	C5	C4	105.2°	109.6°
C5	C6	O6	108.4°	109.4°
C5	C6	H6	109.8°	109.5°
C5	C6	H6A	110.1°	109.4°
C6	C5	C4	111.6°	109.7°
O6	C6	H6	109.8°	109.5°
O6	C6	H6A	110.1°	109.5°
C6	O6	HO6	109.5°	114.0°
H6	C6	H6A	108.6°	109.5°
C5	C4	C3	113.2°	109.5°
C5	C4	H4	109.4°	109.4°
C5	C4	O4	106.9°	109.5°
C3	C4	H4	104.8°	109.5°
C3	C4	O4	111.3°	109.5°
C4	C3	C2	107.3°	109.4°
C4	C3	H3	111.0°	109.5°
C4	C3	O3	108.8°	109.5°
H4	C4	O4	111.4°	109.5°
C4	O4	HO4	109.5°	114.0°
C2	C3	H3	111.4°	109.4°
C2	C3	O3	108.4°	109.6°
C3	C2	C1	106.2°	108.6°
C3	C2	O2	111.0°	109.7°
C3	C2	H2	111.5°	109.7°
H3	C3	O3	109.9°	109.5°
C3	O3	HO3	109.5°	114.0°
C1	C2	O2	112.1°	109.8°
C1	C2	H2	110.5°	109.4°
O2	C2	H2	105.6°	109.7°
C2	O2	HO2	109.5°	114.0°
N1	O7	C8	123.5°	117.0°
CL12	C12	C11	120.6°	119.9°
CL12	C12	C13	120.8°	119.9°
C12	C11	H11	119.3°	120.0°
C12	C11	C10	121.5°	120.0°
C11	C12	C13	118.6°	120.1°
H11	C11	C10	119.3°	120.0°
C11	C10	H10	119.9°	120.0°
C11	C10	C9	120.1°	119.9°
H10	C10	C9	120.0°	120.1°
C12	C13	H13	119.9°	120.0°
C12	C13	C14	120.2°	120.1°
H13	C13	C14	119.9°	120.0°
C13	C14	H14	119.8°	120.0°
C13	C14	C9	120.4°	119.9°
H14	C14	C9	119.8°	120.0°
C10	C9	C14	119.2°	119.9°
C10	C9	N9	121.1°	120.0°
C14	C9	N9	119.7°	120.0°
C9	N9	HN9	118.2°	120.0°
C9	N9	C8	123.6°	120.0°
HN9	N9	C8	118.2°	120.0°
N9	C8	O7	117.5°	120.0°
N9	C8	O8	119.6°	120.0°
O7	C8	O8	122.6°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C1	N5	C2	179.8°	179.8°
N1	C1	N5	C5	175.2°	133.5°
N1	C1	C2	C3	136.3°	132.6°
N1	C1	C2	O2	14.9°	12.7°
N1	C1	C2	H2	102.6°	107.7°
C1	N1	O7	C8	22.0°	179.9°
N1	C1	N5	H16	4.8°	46.5°
C1	N5	C5	H16	180.0°	180.0°
C1	N5	C5	H5	123.7°	70.3°
C1	N5	C5	C6	119.0°	169.4°
C1	N5	C5	C4	8.8°	49.5°
N5	C1	C2	C3	43.5°	47.2°
N5	C1	C2	O2	164.9°	167.1°
N5	C1	C2	H2	77.6°	72.5°
N5	C1	N1	O7	1.6°	0.1°
N5	C5	H5	C6	119.5°	120.3°
N5	C5	H5	C4	121.1°	119.3°
N5	C5	C6	C4	129.2°	119.4°
N5	C5	C6	O6	50.1°	65.0°
N5	C5	C6	H6	170.1°	175.0°
N5	C5	C6	H6A	70.3°	55.0°
N5	C5	C4	C3	18.4°	56.9°
N5	C5	C4	H4	98.0°	63.1°
N5	C5	C4	O4	141.3°	176.9°
C5	N5	C1	C2	4.7°	46.3°
H5	C5	C6	C4	115.4°	120.4°
H5	C5	C6	O6	65.3°	55.3°
H5	C5	C6	H6	54.6°	64.7°
H5	C5	C6	H6A	174.2°	175.3°
H5	C5	C4	C3	96.6°	62.9°
H5	C5	C4	H4	147.0°	177.1°
H5	C5	C4	O4	26.3°	57.1°
H5	C5	N5	H16	56.3°	109.6°
C5	C6	O6	H6	120.0°	120.1°
C5	C6	O6	H6A	120.4°	119.9°
C5	C6	H6	H6A	120.5°	120.0°
C5	C6	O6	HO6	35.9°	180.0°
C6	C5	C4	C3	146.1°	176.7°
C6	C5	C4	H4	29.7°	56.7°
C6	C5	C4	O4	91.0°	63.2°
C6	C5	N5	H16	61.0°	10.6°
O6	C6	H6	H6A	120.5°	120.0°
O6	C6	C5	C4	179.3°	175.7°
H6	C6	O6	HO6	155.9°	60.0°
H6	C6	C5	C4	60.8°	55.6°
H6A	C6	O6	HO6	84.5°	60.0°
H6A	C6	C5	C4	58.8°	64.4°
C5	C4	C3	H4	119.1°	120.0°
C5	C4	C3	O4	120.4°	120.0°
C5	C4	H4	O4	117.9°	120.0°
C5	C4	O4	HO4	59.8°	180.0°
C5	C4	C3	C2	57.6°	62.3°
C5	C4	C3	H3	64.3°	57.6°
C5	C4	C3	O3	174.6°	177.6°
C4	C5	N5	H16	171.2°	130.5°
C3	C4	H4	O4	120.4°	120.0°
C3	C4	O4	HO4	64.3°	60.0°
C4	C3	C2	H3	121.6°	119.9°
C4	C3	C2	O3	117.3°	120.0°
C4	C3	H3	O3	120.4°	120.0°
C4	C3	O3	HO3	3.8°	180.0°
C4	C3	C2	C1	68.7°	54.5°
C4	C3	C2	O2	169.2°	174.5°
C4	C3	C2	H2	51.7°	64.9°
H4	C4	O4	HO4	179.2°	60.0°
H4	C4	C3	C2	61.5°	57.7°
H4	C4	C3	H3	176.6°	177.6°
H4	C4	C3	O3	55.5°	62.4°
O4	C4	C3	C2	178.0°	177.7°
O4	C4	C3	H3	56.1°	62.4°
O4	C4	C3	O3	65.0°	57.6°
C2	C3	H3	O3	120.1°	120.1°
C2	C3	O3	HO3	120.1°	60.0°
C3	C2	C1	O2	121.4°	119.9°
C3	C2	C1	H2	121.1°	119.7°
C3	C2	O2	H2	121.1°	120.6°
C3	C2	O2	HO2	38.3°	180.0°
H3	C3	O3	HO3	117.9°	59.9°
H3	C3	C2	C1	53.0°	65.4°
H3	C3	C2	O2	69.1°	54.6°
H3	C3	C2	H2	173.4°	175.1°
O3	C3	C2	C1	174.0°	174.6°
O3	C3	C2	O2	51.9°	65.5°
O3	C3	C2	H2	65.6°	55.1°
C1	C2	O2	H2	120.4°	120.2°
C1	C2	O2	HO2	156.9°	60.8°
C2	C1	N1	O7	178.6°	179.7°
C2	C1	N5	H16	175.3°	133.7°
H2	C2	O2	HO2	82.8°	59.5°
N1	O7	C8	N9	133.6°	180.0°
N1	O7	C8	O8	52.3°	0.1°
CL12	C12	C11	C13	179.6°	179.7°
CL12	C12	C11	H11	0.3°	0.0°
CL12	C12	C11	C10	179.7°	179.9°
CL12	C12	C13	H13	0.2°	0.0°
CL12	C12	C13	C14	179.7°	179.9°
C12	C11	H11	C10	180.0°	179.9°
C12	C11	C10	H10	179.9°	180.0°
C11	C12	C13	H13	179.8°	179.8°
C11	C12	C13	C14	0.2°	0.3°
C12	C11	C10	C9	0.1°	0.1°
H11	C11	C10	H10	0.1°	0.1°
H11	C11	C12	C13	179.9°	179.7°
H11	C11	C10	C9	179.9°	180.0°
C11	C10	H10	C9	180.0°	180.0°
C10	C11	C12	C13	0.1°	0.4°
C11	C10	C9	C14	0.2°	0.3°
C11	C10	C9	N9	179.7°	180.0°
H10	C10	C9	C14	179.8°	179.7°
H10	C10	C9	N9	0.3°	0.0°
C12	C13	H13	C14	180.0°	179.9°
C12	C13	C14	H14	179.9°	179.9°
C12	C13	C14	C9	0.1°	0.0°
H13	C13	C14	H14	0.1°	0.0°
H13	C13	C14	C9	179.9°	179.9°
C13	C14	H14	C9	180.0°	179.9°
C13	C14	C9	C10	0.1°	0.3°
C13	C14	C9	N9	179.6°	180.0°
H14	C14	C9	C10	179.9°	179.8°
H14	C14	C9	N9	0.4°	0.1°
C10	C9	C14	N9	179.5°	179.7°
C10	C9	N9	HN9	142.6°	146.7°
C10	C9	N9	C8	37.4°	33.3°
C14	C9	N9	HN9	38.0°	33.6°
C14	C9	N9	C8	142.1°	146.5°
C9	N9	HN9	C8	180.0°	179.9°
C9	N9	C8	O7	2.4°	174.7°
C9	N9	C8	O8	176.7°	5.4°
HN9	N9	C8	O7	177.7°	5.2°
HN9	N9	C8	O8	3.4°	174.7°
N9	C8	O7	O8	174.1°	179.9°

Definition date:	2008-05-21
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3D52