BHS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	doub	1.32Å	1.36Å	Aromatic
N1	C8A	sing	1.34Å	1.40Å	Aromatic
C2	N2	sing	1.37Å	1.31Å
C2	N3	sing	1.36Å	1.39Å	Aromatic
N2	HN21	sing	0.97Å	1.02Å
N2	HN22	sing	0.97Å	1.02Å
N3	C4	sing	1.35Å	1.45Å	Aromatic
N3	HN3	sing	0.97Å	1.02Å
C4	O4	doub	1.22Å	1.22Å
C4	C4A	sing	1.40Å	1.41Å	Aromatic
C4A	C8A	doub	1.39Å	1.41Å	Aromatic
C4A	N5	sing	1.41Å	1.36Å
C8A	N8	sing	1.39Å	1.35Å
N5	C6	sing	1.47Å	1.44Å
N5	HN5	sing	0.97Å	1.02Å
C6	C7	sing	1.54Å	1.52Å
C6	C1'	sing	1.53Å	1.53Å
C6	H6	sing	1.09Å	1.11Å
C7	N8	sing	1.47Å	1.41Å
C7	H71	sing	1.09Å	1.12Å
C7	H72	sing	1.09Å	1.12Å
N8	HN8	sing	0.97Å	1.02Å
C1'	O1'	sing	1.43Å	1.43Å
C1'	C2'	sing	1.53Å	1.52Å
C1'	H1'	sing	1.09Å	1.12Å
O1'	HO1	sing	0.97Å	0.95Å
C2'	O2'	sing	1.43Å	1.45Å
C2'	C3'	sing	1.53Å	1.52Å
C2'	H2'	sing	1.09Å	1.11Å
O2'	HO2	sing	0.97Å	0.95Å
C3'	H3'1	sing	1.09Å	1.11Å
C3'	H3'2	sing	1.09Å	1.12Å
C3'	H3'3	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C8A	122.6°	121.0°
N1	C2	N2	120.3°	119.2°
N1	C2	N3	118.3°	121.6°
N1	C8A	C4A	118.7°	119.6°
N1	C8A	N8	118.1°	120.5°
N2	C2	N3	121.4°	119.2°
C2	N2	HN21	120.2°	120.0°
C2	N2	HN22	108.3°	120.0°
C2	N3	C4	123.3°	120.1°
C2	N3	HN3	116.2°	119.9°
HN21	N2	HN22	108.4°	120.0°
C4	N3	HN3	120.5°	119.9°
N3	C4	O4	119.2°	120.8°
N3	C4	C4A	114.8°	118.5°
O4	C4	C4A	125.9°	120.7°
C4	C4A	C8A	122.2°	119.1°
C4	C4A	N5	117.6°	120.8°
C8A	C4A	N5	120.2°	120.1°
C4A	C8A	N8	123.3°	119.9°
C4A	N5	C6	116.3°	118.4°
C4A	N5	HN5	109.7°	120.8°
C8A	N8	C7	119.1°	119.0°
C8A	N8	HN8	108.8°	120.5°
C6	N5	HN5	109.7°	120.8°
N5	C6	C7	115.8°	108.0°
N5	C6	C1'	115.3°	109.8°
N5	C6	H6	98.5°	109.7°
C7	C6	C1'	101.8°	109.8°
C7	C6	H6	112.8°	109.8°
C6	C7	N8	116.8°	108.3°
C6	C7	H71	109.5°	109.7°
C6	C7	H72	109.5°	109.7°
C1'	C6	H6	113.3°	109.8°
C6	C1'	O1'	110.1°	109.5°
C6	C1'	C2'	110.2°	109.5°
C6	C1'	H1'	109.3°	109.4°
N8	C7	H71	109.6°	109.7°
N8	C7	H72	109.6°	109.7°
C7	N8	HN8	108.7°	120.5°
H71	C7	H72	100.6°	109.8°
O1'	C1'	C2'	111.6°	109.5°
O1'	C1'	H1'	107.8°	109.5°
C1'	O1'	HO1	110.1°	106.8°
C2'	C1'	H1'	107.7°	109.4°
C1'	C2'	O2'	110.7°	109.5°
C1'	C2'	C3'	111.2°	109.5°
C1'	C2'	H2'	107.6°	109.4°
O2'	C2'	C3'	110.0°	109.5°
O2'	C2'	H2'	108.8°	109.5°
C2'	O2'	HO2	110.7°	106.8°
C3'	C2'	H2'	108.4°	109.5°
C2'	C3'	H3'1	111.2°	109.5°
C2'	C3'	H3'2	111.6°	109.4°
C2'	C3'	H3'3	111.6°	109.4°
H3'1	C3'	H3'2	111.6°	109.5°
H3'1	C3'	H3'3	111.6°	109.5°
H3'2	C3'	H3'3	98.8°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	N2	N3	179.3°	180.0°
N1	C2	N2	HN21	180.0°	0.0°
N1	C2	N2	HN22	54.8°	180.0°
N1	C2	N3	C4	0.9°	0.0°
N1	C2	N3	HN3	179.1°	179.9°
C2	N1	C8A	C4A	1.3°	0.2°
C2	N1	C8A	N8	179.9°	179.8°
C8A	N1	C2	N2	179.6°	179.9°
C8A	N1	C2	N3	1.1°	0.1°
N1	C8A	C4A	C4	1.3°	0.2°
N1	C8A	C4A	N8	178.7°	180.0°
N1	C8A	C4A	N5	179.9°	179.8°
N1	C8A	N8	C7	167.8°	162.8°
N1	C8A	N8	HN8	42.5°	17.1°
C2	N2	HN21	HN22	125.2°	180.0°
N2	C2	N3	C4	179.8°	180.0°
N2	C2	N3	HN3	0.1°	0.1°
N3	C2	N2	HN21	0.7°	179.9°
N3	C2	N2	HN22	126.0°	0.0°
C2	N3	C4	HN3	180.0°	179.9°
C2	N3	C4	O4	179.7°	179.9°
C2	N3	C4	C4A	0.9°	0.0°
N3	C4	O4	C4A	179.3°	179.9°
N3	C4	C4A	C8A	1.1°	0.1°
N3	C4	C4A	N5	179.7°	179.9°
HN3	N3	C4	O4	0.2°	0.2°
HN3	N3	C4	C4A	179.2°	179.9°
O4	C4	C4A	C8A	179.6°	180.0°
O4	C4	C4A	N5	0.9°	0.0°
C4	C4A	C8A	N5	178.6°	180.0°
C4	C4A	C8A	N8	180.0°	179.8°
C4	C4A	N5	C6	156.8°	164.1°
C4	C4A	N5	HN5	77.9°	15.9°
C8A	C4A	N5	C6	24.5°	16.0°
C8A	C4A	N5	HN5	100.7°	164.0°
C4A	C8A	N8	C7	10.9°	17.2°
C4A	C8A	N8	HN8	136.2°	162.9°
N5	C4A	C8A	N8	1.3°	0.3°
C4A	N5	C6	HN5	125.3°	180.0°
C4A	N5	C6	C7	34.2°	44.1°
C4A	N5	C6	C1'	152.8°	75.5°
C4A	N5	C6	H6	86.3°	163.8°
C8A	N8	C7	C6	0.3°	45.7°
C8A	N8	C7	HN8	125.3°	179.9°
C8A	N8	C7	H71	125.6°	74.0°
C8A	N8	C7	H72	124.9°	165.4°
N5	C6	C7	C1'	125.8°	119.7°
N5	C6	C7	H6	112.4°	119.6°
N5	C6	C1'	H6	112.4°	120.7°
N5	C6	C7	N8	22.4°	56.4°
N5	C6	C7	H71	147.8°	63.3°
N5	C6	C7	H72	102.8°	176.1°
N5	C6	C1'	O1'	1.0°	59.3°
N5	C6	C1'	C2'	124.5°	60.7°
N5	C6	C1'	H1'	117.3°	179.3°
HN5	N5	C6	C7	91.1°	135.9°
HN5	N5	C6	C1'	27.6°	104.5°
HN5	N5	C6	H6	148.4°	16.2°
C7	C6	C1'	H6	121.4°	120.7°
C6	C7	N8	H71	125.3°	119.7°
C6	C7	N8	H72	125.2°	119.7°
C6	C7	H71	H72	115.3°	120.6°
C6	C7	N8	HN8	125.0°	134.5°
C7	C6	C1'	O1'	127.2°	59.3°
C7	C6	C1'	C2'	109.3°	179.4°
C7	C6	C1'	H1'	9.0°	60.7°
C1'	C6	C7	N8	148.3°	63.2°
C1'	C6	C7	H71	86.4°	177.0°
C1'	C6	C7	H72	23.0°	56.4°
C6	C1'	O1'	C2'	122.7°	120.1°
C6	C1'	O1'	H1'	119.2°	120.0°
C6	C1'	C2'	H1'	119.2°	119.9°
C6	C1'	O1'	HO1	180.0°	60.0°
C6	C1'	C2'	O2'	57.3°	60.0°
C6	C1'	C2'	C3'	179.9°	180.0°
C6	C1'	C2'	H2'	61.5°	60.0°
H6	C6	C7	N8	89.9°	176.0°
H6	C6	C7	H71	35.4°	56.3°
H6	C6	C7	H72	144.8°	64.3°
H6	C6	C1'	O1'	111.4°	179.9°
H6	C6	C1'	C2'	12.1°	59.9°
H6	C6	C1'	H1'	130.3°	60.0°
N8	C7	H71	H72	115.3°	120.6°
H71	C7	N8	HN8	0.3°	105.8°
H72	C7	N8	HN8	109.8°	14.8°
O1'	C1'	C2'	H1'	118.1°	120.0°
O1'	C1'	C2'	O2'	180.0°	NaN°
O1'	C1'	C2'	C3'	57.4°	60.0°
O1'	C1'	C2'	H2'	61.2°	60.0°
C2'	C1'	O1'	HO1	57.2°	60.1°
C1'	C2'	O2'	C3'	123.3°	120.1°
C1'	C2'	O2'	H2'	118.1°	119.9°
C1'	C2'	C3'	H2'	118.1°	119.9°
C1'	C2'	O2'	HO2	180.0°	60.0°
C1'	C2'	C3'	H3'1	180.0°	180.0°
C1'	C2'	C3'	H3'2	54.8°	59.9°
C1'	C2'	C3'	H3'3	54.7°	60.1°
H1'	C1'	O1'	HO1	60.9°	179.9°
H1'	C1'	C2'	O2'	61.9°	60.0°
H1'	C1'	C2'	C3'	60.8°	60.1°
H1'	C1'	C2'	H2'	179.3°	179.9°
O2'	C2'	C3'	H2'	118.9°	120.0°
O2'	C2'	C3'	H3'1	57.0°	60.0°
O2'	C2'	C3'	H3'2	177.8°	180.0°
O2'	C2'	C3'	H3'3	68.3°	60.0°
C3'	C2'	O2'	HO2	56.7°	60.0°
C2'	C3'	H3'1	H3'2	125.3°	120.0°
C2'	C3'	H3'1	H3'3	125.3°	119.9°
C2'	C3'	H3'2	H3'3	117.5°	119.9°
H2'	C2'	O2'	HO2	61.9°	180.0°
H2'	C2'	C3'	H3'1	61.9°	60.0°
H2'	C2'	C3'	H3'2	63.3°	60.0°
H2'	C2'	C3'	H3'3	172.8°	180.0°
H3'1	C3'	H3'2	H3'3	117.4°	120.0°

Definition date:	1999-12-16
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1DMI