NRT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	N3	doub	1.32Å	1.35Å	Aromatic
C2	N2	sing	1.39Å	1.35Å
C2	N1	sing	1.33Å	1.37Å	Aromatic
C4	C5	doub	1.41Å	1.45Å	Aromatic
C4	N9	sing	1.37Å	1.33Å	Aromatic
C4	N3	sing	1.33Å	1.34Å	Aromatic
C5	C6	sing	1.40Å	1.46Å	Aromatic
C5	N7	sing	1.36Å	1.33Å	Aromatic
C4'	O4'	sing	1.44Å	1.44Å
C4'	C2'	sing	1.54Å	1.53Å
C4'	C60	sing	1.53Å	1.52Å
C4'	H4'	sing	1.09Å	1.11Å
O4'	C14	sing	1.45Å	1.44Å
C3'	C2'	sing	1.54Å	1.51Å
C3'	C14	sing	1.54Å	1.54Å
C3'	H3'1	sing	1.09Å	1.11Å
C3'	H3'2	sing	1.09Å	1.11Å
C2'	H2'1	sing	1.09Å	1.11Å
C2'	H2'2	sing	1.09Å	1.12Å
N9	C8	sing	1.36Å	1.37Å	Aromatic
N9	H9	sing	0.97Å	1.02Å
N2	H2N1	sing	0.97Å	1.02Å
N2	H2N2	sing	0.97Å	1.02Å
N1	C6	doub	1.33Å	1.35Å	Aromatic
C6	O6	sing	1.35Å	1.35Å
O6	C60	sing	1.43Å	1.43Å
C60	H601	sing	1.09Å	1.12Å
C60	H602	sing	1.09Å	1.11Å
C14	H141	sing	1.09Å	1.11Å
C14	H142	sing	1.09Å	1.12Å
N7	C8	doub	1.30Å	1.34Å	Aromatic
C8	H8	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N3	C2	N2	120.0°	118.9°
N3	C2	N1	123.1°	122.3°
C2	N3	C4	121.0°	120.5°
N2	C2	N1	116.8°	118.8°
C2	N2	H2N1	116.8°	120.1°
C2	N2	H2N2	120.0°	120.0°
C2	N1	C6	121.1°	121.1°
C5	C4	N9	102.9°	106.0°
C5	C4	N3	118.4°	119.2°
C4	C5	C6	119.1°	118.3°
C4	C5	N7	111.1°	107.1°
N9	C4	N3	138.7°	134.9°
C4	N9	C8	109.6°	107.5°
C4	N9	H9	125.2°	126.2°
C6	C5	N7	129.7°	134.6°
C5	C6	N1	117.2°	118.6°
C5	C6	O6	119.1°	120.7°
C5	N7	C8	105.1°	109.4°
O4'	C4'	C2'	107.7°	104.8°
O4'	C4'	C60	111.6°	110.4°
O4'	C4'	H4'	109.5°	110.3°
C4'	O4'	C14	109.8°	105.3°
C2'	C4'	C60	108.9°	110.4°
C2'	C4'	H4'	109.6°	110.4°
C4'	C2'	C3'	105.7°	104.1°
C4'	C2'	H2'1	113.6°	110.5°
C4'	C2'	H2'2	113.6°	110.5°
C60	C4'	H4'	109.5°	110.4°
C4'	C60	O6	110.9°	109.6°
C4'	C60	H601	111.7°	109.5°
C4'	C60	H602	111.7°	109.4°
O4'	C14	C3'	108.8°	104.9°
O4'	C14	H141	112.5°	110.4°
O4'	C14	H142	112.5°	110.3°
C2'	C3'	C14	104.7°	104.1°
C2'	C3'	H3'1	114.0°	110.5°
C2'	C3'	H3'2	114.0°	110.6°
C3'	C2'	H2'1	113.6°	110.6°
C3'	C2'	H2'2	113.6°	110.5°
C14	C3'	H3'1	114.0°	110.5°
C14	C3'	H3'2	114.0°	110.5°
C3'	C14	H141	112.4°	110.4°
C3'	C14	H142	112.5°	110.4°
H3'1	C3'	H3'2	96.5°	110.5°
H2'1	C2'	H2'2	96.8°	110.5°
C8	N9	H9	125.2°	126.3°
N9	C8	N7	111.2°	110.0°
N9	C8	H8	124.4°	125.0°
H2N1	N2	H2N2	123.1°	119.9°
N1	C6	O6	123.6°	120.7°
C6	O6	C60	115.5°	106.8°
O6	C60	H601	111.7°	109.5°
O6	C60	H602	111.7°	109.5°
H601	C60	H602	98.7°	109.4°
H141	C14	H142	98.0°	110.4°
N7	C8	H8	124.4°	125.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N3	C2	N2	N1	179.0°	179.7°
C2	N3	C4	C5	0.6°	0.1°
C2	N3	C4	N9	179.3°	180.0°
N3	C2	N2	H2N1	1.0°	180.0°
N3	C2	N2	H2N2	180.0°	0.2°
N3	C2	N1	C6	1.1°	0.6°
N2	C2	N3	C4	178.7°	180.0°
C2	N2	H2N1	H2N2	178.9°	179.8°
N2	C2	N1	C6	180.0°	179.7°
N1	C2	N3	C4	0.2°	0.3°
C2	N1	C6	C5	1.7°	0.6°
N1	C2	N2	H2N1	180.0°	0.3°
N1	C2	N2	H2N2	1.1°	179.5°
C2	N1	C6	O6	179.3°	179.7°
C5	C4	N9	N3	179.9°	180.0°
C4	C5	C6	N7	178.6°	179.9°
C5	C4	N9	C8	1.6°	0.0°
C5	C4	N9	H9	178.4°	180.0°
C4	C5	C6	N1	1.2°	0.3°
C4	C5	C6	O6	179.7°	180.0°
C4	C5	N7	C8	0.3°	0.1°
N9	C4	C5	C6	180.0°	180.0°
N9	C4	C5	N7	1.2°	0.0°
C4	N9	C8	H9	180.0°	179.9°
C4	N9	C8	N7	1.6°	0.1°
C4	N9	C8	H8	178.4°	179.9°
N3	C4	C5	C6	0.1°	0.0°
N3	C4	C5	N7	178.9°	180.0°
N3	C4	N9	C8	178.5°	180.0°
N3	C4	N9	H9	1.5°	0.0°
C5	C6	N1	O6	179.0°	179.7°
C5	C6	O6	C60	146.1°	180.0°
C6	C5	N7	C8	178.9°	180.0°
C5	N7	C8	N9	0.8°	0.1°
N7	C5	C6	N1	179.8°	179.8°
N7	C5	C6	O6	1.2°	0.0°
C5	N7	C8	H8	179.2°	179.9°
O4'	C4'	C2'	C60	121.2°	118.9°
O4'	C4'	C2'	H4'	119.1°	118.8°
O4'	C4'	C60	H4'	121.5°	122.2°
O4'	C4'	C2'	C3'	18.4°	24.0°
C4'	O4'	C14	C3'	2.3°	40.3°
O4'	C4'	C2'	H2'1	143.7°	94.8°
O4'	C4'	C2'	H2'2	106.9°	142.5°
O4'	C4'	C60	O6	33.6°	63.0°
O4'	C4'	C60	H601	158.9°	57.1°
O4'	C4'	C60	H602	91.7°	177.0°
C4'	O4'	C14	H141	127.5°	159.2°
C4'	O4'	C14	H142	123.0°	78.5°
C2'	C4'	C60	H4'	119.8°	122.3°
C2'	C4'	O4'	C14	12.9°	40.4°
C4'	C2'	C3'	H2'1	125.3°	118.7°
C4'	C2'	C3'	H2'2	125.3°	118.6°
C4'	C2'	C3'	C14	16.4°	0.1°
C4'	C2'	C3'	H3'1	108.9°	118.7°
C4'	C2'	C3'	H3'2	141.7°	118.7°
C4'	C2'	H2'1	H2'2	119.5°	122.6°
C2'	C4'	C60	O6	152.3°	178.4°
C2'	C4'	C60	H601	82.4°	58.3°
C2'	C4'	C60	H602	27.1°	61.6°
C60	C4'	O4'	C14	132.3°	159.3°
C60	C4'	C2'	C3'	139.6°	142.8°
C60	C4'	C2'	H2'1	95.1°	24.1°
C60	C4'	C2'	H2'2	14.3°	98.6°
C4'	C60	O6	C6	175.9°	180.0°
C4'	C60	O6	H601	125.3°	120.1°
C4'	C60	O6	H602	125.3°	120.0°
C4'	C60	H601	H602	117.6°	119.9°
H4'	C4'	O4'	C14	106.2°	78.5°
H4'	C4'	C2'	C3'	100.6°	94.8°
H4'	C4'	C2'	H2'1	24.6°	146.4°
H4'	C4'	C2'	H2'2	134.1°	23.7°
H4'	C4'	C60	O6	87.9°	59.3°
H4'	C4'	C60	H601	37.4°	179.3°
H4'	C4'	C60	H602	146.9°	60.8°
O4'	C14	C3'	C2'	9.2°	23.8°
O4'	C14	C3'	H141	125.3°	118.9°
O4'	C14	C3'	H142	125.3°	118.8°
O4'	C14	C3'	H3'1	116.0°	94.7°
O4'	C14	C3'	H3'2	134.5°	142.6°
O4'	C14	H141	H142	118.4°	122.2°
C2'	C3'	C14	H3'1	125.2°	118.6°
C2'	C3'	C14	H3'2	125.3°	118.8°
C2'	C3'	H3'1	H3'2	119.9°	122.7°
C3'	C2'	H2'1	H2'2	119.5°	122.6°
C2'	C3'	C14	H141	116.0°	142.7°
C2'	C3'	C14	H142	134.5°	94.9°
C14	C3'	H3'1	H3'2	119.9°	122.7°
C14	C3'	C2'	H2'1	141.7°	118.7°
C14	C3'	C2'	H2'2	108.9°	118.7°
C3'	C14	H141	H142	118.4°	122.3°
H3'1	C3'	C2'	H2'1	16.4°	0.1°
H3'1	C3'	C2'	H2'2	125.9°	122.7°
H3'1	C3'	C14	H141	118.7°	24.1°
H3'1	C3'	C14	H142	9.2°	146.5°
H3'2	C3'	C2'	H2'1	93.1°	122.6°
H3'2	C3'	C2'	H2'2	16.4°	0.1°
H3'2	C3'	C14	H141	9.2°	98.5°
H3'2	C3'	C14	H142	100.2°	23.9°
N9	C8	N7	H8	180.0°	179.9°
H9	N9	C8	N7	178.4°	180.0°
H9	N9	C8	H8	1.6°	0.1°
N1	C6	O6	C60	32.9°	0.3°
C6	O6	C60	H601	50.7°	60.0°
C6	O6	C60	H602	58.8°	60.0°
O6	C60	H601	H602	117.6°	120.0°

Definition date:	2002-06-27
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI