PNT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.39Å	1.35Å	Aromatic
C1	C6	sing	1.39Å	1.40Å	Aromatic
C1	O1	sing	1.36Å	1.30Å
C2	C3	sing	1.38Å	1.38Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C3	C4	doub	1.40Å	1.39Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C4	C5	sing	1.40Å	1.37Å	Aromatic
C4	C9	sing	1.48Å	1.35Å
C5	C6	doub	1.38Å	1.35Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C7	C8	sing	1.53Å	1.52Å
C7	O1	sing	1.43Å	1.48Å
C7	H71	sing	1.09Å	1.10Å
C7	H72	sing	1.09Å	1.10Å
C8	C10	sing	1.53Å	1.50Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
C9	N1	doub	1.30Å	1.35Å
C9	N2	sing	1.38Å	1.38Å
C10	C8'	sing	1.53Å	1.50Å
C10	H101	sing	1.09Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
C1'	C2'	doub	1.39Å	1.34Å	Aromatic
C1'	C6'	sing	1.39Å	1.39Å	Aromatic
C1'	O1'	sing	1.36Å	1.30Å
C2'	C3'	sing	1.38Å	1.37Å	Aromatic
C2'	H2'	sing	1.08Å	1.08Å
C3'	C4'	doub	1.40Å	1.39Å	Aromatic
C3'	H3'	sing	1.08Å	1.08Å
C4'	C5'	sing	1.40Å	1.34Å	Aromatic
C4'	C9'	sing	1.48Å	1.35Å
C5'	C6'	doub	1.38Å	1.38Å	Aromatic
C5'	H5'	sing	1.08Å	1.08Å
C6'	H6'	sing	1.08Å	1.08Å
C7'	C8'	sing	1.53Å	1.54Å
C7'	O1'	sing	1.43Å	1.46Å
C7'	H7'1	sing	1.09Å	1.10Å
C7'	H7'2	sing	1.09Å	1.10Å
C8'	H8'1	sing	1.09Å	1.10Å
C8'	H8'2	sing	1.09Å	1.10Å
C9'	N1'	doub	1.30Å	1.35Å
C9'	N2'	sing	1.38Å	1.38Å
N1	HN1	sing	0.97Å	1.00Å
N2	HN2	sing	0.97Å	1.00Å
N2	HN3	sing	0.97Å	1.00Å
N1'	HN'1	sing	0.97Å	1.00Å
N2'	HN'2	sing	0.97Å	1.00Å
N2'	HN'3	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	119.4°	120.1°
C2	C1	O1	118.4°	119.9°
C1	C2	C3	119.0°	120.1°
C1	C2	H2	120.5°	119.9°
C6	C1	O1	122.2°	119.9°
C1	C6	C5	120.4°	120.1°
C1	C6	H6	119.8°	120.0°
C1	O1	C7	107.2°	117.0°
C3	C2	H2	120.5°	120.0°
C2	C3	C4	122.2°	119.9°
C2	C3	H3	118.9°	120.0°
C4	C3	H3	118.9°	120.1°
C3	C4	C5	117.0°	119.9°
C3	C4	C9	122.6°	120.1°
C5	C4	C9	120.4°	120.0°
C4	C5	C6	121.8°	119.9°
C4	C5	H5	119.1°	120.1°
C4	C9	N1	118.9°	120.0°
C4	C9	N2	121.4°	120.0°
C6	C5	H5	119.1°	120.0°
C5	C6	H6	119.8°	119.9°
C8	C7	O1	96.4°	109.5°
C8	C7	H71	114.1°	109.5°
C8	C7	H72	116.7°	109.4°
C7	C8	C10	93.6°	109.5°
C7	C8	H81	115.2°	109.4°
C7	C8	H82	118.3°	109.4°
O1	C7	H71	114.1°	109.5°
O1	C7	H72	116.7°	109.5°
H71	C7	H72	99.9°	109.5°
C10	C8	H81	115.2°	109.5°
C10	C8	H82	118.2°	109.5°
C8	C10	C8'	113.7°	109.5°
C8	C10	H101	108.1°	109.5°
C8	C10	H102	107.1°	109.5°
H81	C8	H82	97.9°	109.5°
N1	C9	N2	119.5°	120.0°
C9	N1	HN1	109.8°	120.0°
C9	N2	HN2	109.9°	120.0°
C9	N2	HN3	125.1°	120.0°
C8'	C10	H101	108.1°	109.5°
C8'	C10	H102	107.1°	109.5°
C10	C8'	C7'	111.2°	109.5°
C10	C8'	H8'1	108.9°	109.5°
C10	C8'	H8'2	108.5°	109.5°
H101	C10	H102	112.8°	109.5°
C2'	C1'	C6'	120.5°	120.1°
C2'	C1'	O1'	119.8°	119.9°
C1'	C2'	C3'	118.3°	120.1°
C1'	C2'	H2'	120.8°	119.9°
C6'	C1'	O1'	119.7°	119.9°
C1'	C6'	C5'	120.6°	120.1°
C1'	C6'	H6'	119.7°	120.0°
C1'	O1'	C7'	111.8°	117.0°
C3'	C2'	H2'	120.8°	120.0°
C2'	C3'	C4'	122.2°	119.9°
C2'	C3'	H3'	118.9°	120.0°
C4'	C3'	H3'	118.9°	120.1°
C3'	C4'	C5'	118.7°	119.9°
C3'	C4'	C9'	121.7°	120.1°
C5'	C4'	C9'	119.5°	120.0°
C4'	C5'	C6'	119.6°	119.9°
C4'	C5'	H5'	120.2°	120.1°
C4'	C9'	N1'	119.2°	120.0°
C4'	C9'	N2'	120.8°	120.0°
C6'	C5'	H5'	120.2°	120.0°
C5'	C6'	H6'	119.7°	119.9°
C8'	C7'	O1'	106.5°	109.5°
C8'	C7'	H7'1	110.5°	109.4°
C8'	C7'	H7'2	111.2°	109.4°
C7'	C8'	H8'1	108.9°	109.4°
C7'	C8'	H8'2	108.5°	109.5°
O1'	C7'	H7'1	110.5°	109.5°
O1'	C7'	H7'2	111.1°	109.5°
H7'1	C7'	H7'2	107.2°	109.5°
H8'1	C8'	H8'2	110.8°	109.5°
N1'	C9'	N2'	120.0°	120.0°
C9'	N1'	HN'1	109.9°	120.0°
C9'	N2'	HN'2	109.9°	120.0°
C9'	N2'	HN'3	125.0°	120.0°
HN2	N2	HN3	125.1°	120.0°
HN'2	N2'	HN'3	125.1°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	O1	179.8°	179.8°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	4.1°	0.1°
C1	C2	C3	H3	175.9°	180.0°
C2	C1	C6	C5	3.3°	0.0°
C2	C1	C6	H6	176.6°	180.0°
C2	C1	O1	C7	20.8°	180.0°
C6	C1	C2	C3	4.4°	0.0°
C6	C1	C2	H2	175.6°	180.0°
C1	C6	C5	C4	1.8°	0.0°
C1	C6	C5	H6	180.0°	180.0°
C1	C6	C5	H5	178.2°	180.0°
C6	C1	O1	C7	158.9°	0.2°
O1	C1	C2	C3	175.4°	179.7°
O1	C1	C2	H2	4.6°	0.3°
O1	C1	C6	C5	176.4°	179.8°
O1	C1	C6	H6	3.6°	0.3°
C1	O1	C7	C8	171.8°	180.0°
C1	O1	C7	H71	51.8°	60.0°
C1	O1	C7	H72	64.0°	60.1°
C2	C3	C4	H3	180.0°	179.9°
C2	C3	C4	C5	2.5°	0.0°
C2	C3	C4	C9	179.0°	179.9°
H2	C2	C3	C4	175.9°	180.0°
H2	C2	C3	H3	4.1°	0.1°
C3	C4	C5	C9	178.6°	179.9°
C3	C4	C5	C6	1.3°	0.0°
C3	C4	C5	H5	178.7°	180.0°
C3	C4	C9	N1	6.8°	0.0°
C3	C4	C9	N2	178.7°	180.0°
H3	C3	C4	C5	177.5°	179.9°
H3	C3	C4	C9	1.0°	0.0°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	H6	178.2°	180.0°
C5	C4	C9	N1	171.7°	179.9°
C5	C4	C9	N2	2.8°	0.1°
C9	C4	C5	C6	179.9°	180.0°
C9	C4	C5	H5	0.1°	0.1°
C4	C9	N1	N2	174.6°	180.0°
C4	C9	N1	HN1	180.0°	180.0°
C4	C9	N2	HN2	2.9°	0.0°
C4	C9	N2	HN3	177.1°	180.0°
H5	C5	C6	H6	1.8°	0.1°
C8	C7	O1	H71	120.0°	120.0°
C8	C7	O1	H72	124.2°	119.9°
C8	C7	H71	H72	125.3°	119.9°
C7	C8	C10	H81	120.0°	120.0°
C7	C8	C10	H82	124.9°	120.0°
C7	C8	H81	H82	126.4°	119.9°
C7	C8	C10	C8'	155.7°	180.0°
C7	C8	C10	H101	35.7°	60.0°
C7	C8	C10	H102	86.1°	60.0°
O1	C7	H71	H72	125.3°	120.0°
O1	C7	C8	C10	160.7°	180.0°
O1	C7	C8	H81	40.6°	60.0°
O1	C7	C8	H82	74.5°	60.0°
H71	C7	C8	C10	40.7°	60.0°
H71	C7	C8	H81	79.3°	60.1°
H71	C7	C8	H82	165.5°	180.0°
H72	C7	C8	C10	75.1°	60.0°
H72	C7	C8	H81	164.9°	180.0°
H72	C7	C8	H82	49.7°	60.0°
C10	C8	H81	H82	126.4°	120.0°
C8	C10	C8'	H101	120.0°	120.0°
C8	C10	C8'	H102	118.1°	120.0°
C8	C10	H101	H102	118.3°	120.0°
C8	C10	C8'	C7'	176.2°	180.0°
C8	C10	C8'	H8'1	56.2°	60.0°
C8	C10	C8'	H8'2	64.5°	60.0°
H81	C8	C10	C8'	84.3°	60.0°
H81	C8	C10	H101	155.7°	180.0°
H81	C8	C10	H102	33.9°	60.0°
H82	C8	C10	C8'	30.9°	60.0°
H82	C8	C10	H101	89.1°	60.0°
H82	C8	C10	H102	149.0°	180.0°
N1	C9	N2	HN2	177.4°	180.0°
N1	C9	N2	HN3	2.6°	0.0°
N2	C9	N1	HN1	5.3°	0.0°
C9	N2	HN2	HN3	180.0°	180.0°
C8'	C10	H101	H102	118.3°	120.0°
C10	C8'	C7'	H8'1	120.0°	120.0°
C10	C8'	C7'	H8'2	119.3°	120.1°
C10	C8'	C7'	O1'	175.2°	180.0°
C10	C8'	C7'	H7'1	64.8°	60.0°
C10	C8'	C7'	H7'2	54.1°	60.0°
C10	C8'	H8'1	H8'2	119.3°	120.0°
H101	C10	C8'	C7'	63.8°	60.0°
H101	C10	C8'	H8'1	176.2°	180.0°
H101	C10	C8'	H8'2	55.5°	60.0°
H102	C10	C8'	C7'	58.1°	60.0°
H102	C10	C8'	H8'1	61.9°	60.0°
H102	C10	C8'	H8'2	177.4°	180.0°
C2'	C1'	C6'	O1'	178.6°	179.7°
C1'	C2'	C3'	H2'	180.0°	179.9°
C1'	C2'	C3'	C4'	0.6°	0.1°
C1'	C2'	C3'	H3'	179.4°	179.9°
C2'	C1'	C6'	C5'	0.5°	0.0°
C2'	C1'	C6'	H6'	179.6°	180.0°
C2'	C1'	O1'	C7'	14.8°	180.0°
C6'	C1'	C2'	C3'	0.3°	0.0°
C6'	C1'	C2'	H2'	179.7°	179.9°
C1'	C6'	C5'	C4'	1.0°	0.0°
C1'	C6'	C5'	H6'	180.0°	180.0°
C1'	C6'	C5'	H5'	179.0°	179.9°
C6'	C1'	O1'	C7'	166.6°	0.3°
O1'	C1'	C2'	C3'	178.2°	179.7°
O1'	C1'	C2'	H2'	1.7°	0.3°
O1'	C1'	C6'	C5'	179.0°	179.7°
O1'	C1'	C6'	H6'	1.0°	0.3°
C1'	O1'	C7'	C8'	179.1°	180.0°
C1'	O1'	C7'	H7'1	60.9°	60.0°
C1'	O1'	C7'	H7'2	57.9°	60.0°
C2'	C3'	C4'	H3'	180.0°	179.9°
C2'	C3'	C4'	C5'	0.1°	0.1°
C2'	C3'	C4'	C9'	178.7°	179.9°
H2'	C2'	C3'	C4'	179.4°	180.0°
H2'	C2'	C3'	H3'	0.6°	0.1°
C3'	C4'	C5'	C9'	178.8°	180.0°
C3'	C4'	C5'	C6'	0.7°	0.0°
C3'	C4'	C5'	H5'	179.3°	180.0°
C3'	C4'	C9'	N1'	5.6°	0.0°
C3'	C4'	C9'	N2'	175.9°	180.0°
H3'	C3'	C4'	C5'	179.9°	179.9°
H3'	C3'	C4'	C9'	1.3°	0.1°
C4'	C5'	C6'	H5'	180.0°	180.0°
C4'	C5'	C6'	H6'	179.0°	180.0°
C5'	C4'	C9'	N1'	173.1°	180.0°
C5'	C4'	C9'	N2'	5.4°	0.0°
C9'	C4'	C5'	C6'	179.5°	180.0°
C9'	C4'	C5'	H5'	0.5°	0.0°
C4'	C9'	N1'	N2'	178.6°	180.0°
C4'	C9'	N1'	HN'1	180.0°	179.9°
C4'	C9'	N2'	HN'2	0.7°	0.0°
C4'	C9'	N2'	HN'3	179.3°	180.0°
H5'	C5'	C6'	H6'	1.0°	0.0°
C8'	C7'	O1'	H7'1	120.0°	120.0°
C8'	C7'	O1'	H7'2	121.2°	120.0°
C8'	C7'	H7'1	H7'2	121.2°	119.9°
C7'	C8'	H8'1	H8'2	119.3°	119.9°
O1'	C7'	H7'1	H7'2	121.2°	120.1°
O1'	C7'	C8'	H8'1	55.2°	60.0°
O1'	C7'	C8'	H8'2	65.5°	59.9°
H7'1	C7'	C8'	H8'1	175.2°	180.0°
H7'1	C7'	C8'	H8'2	54.5°	60.1°
H7'2	C7'	C8'	H8'1	65.9°	60.0°
H7'2	C7'	C8'	H8'2	173.4°	180.0°
N1'	C9'	N2'	HN'2	179.3°	180.0°
N1'	C9'	N2'	HN'3	0.7°	0.0°
N2'	C9'	N1'	HN'1	1.5°	0.1°
C9'	N2'	HN'2	HN'3	180.0°	180.0°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	1D64