DIY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.47Å	1.46Å
N1	C6	sing	1.47Å	1.45Å
N1	HN1	sing	1.01Å	1.02Å
C2	C3	sing	1.53Å	1.52Å
C2	H21	sing	1.09Å	1.11Å
C2	H22	sing	1.09Å	1.11Å
C6	C5	sing	1.53Å	1.49Å
C6	H61	sing	1.09Å	1.12Å
C6	H62	sing	1.09Å	1.11Å
C3	C4	sing	1.53Å	1.52Å
C3	H31	sing	1.09Å	1.11Å
C3	H32	sing	1.09Å	1.11Å
C4	C5	sing	1.53Å	1.54Å
C4	H41	sing	1.09Å	1.11Å
C4	H42	sing	1.09Å	1.11Å
C5	C1'	sing	1.53Å	1.51Å
C5	H5	sing	1.09Å	1.11Å
C1'	C2'	sing	1.53Å	1.51Å
C1'	H1'1	sing	1.09Å	1.11Å
C1'	H1'2	sing	1.09Å	1.12Å
C2'	C3'	sing	1.53Å	1.50Å
C2'	H2'1	sing	1.09Å	1.12Å
C2'	H2'2	sing	1.09Å	1.11Å
C3'	C4'	sing	1.53Å	1.50Å
C3'	H3'1	sing	1.09Å	1.11Å
C3'	H3'2	sing	1.09Å	1.11Å
C4'	H4'1	sing	1.09Å	1.12Å
C4'	H4'2	sing	1.09Å	1.12Å
C4'	H4'3	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C6	115.9°	107.4°
C2	N1	HN1	109.9°	106.7°
N1	C2	C3	104.8°	109.8°
N1	C2	H21	113.9°	109.4°
N1	C2	H22	113.9°	109.5°
C6	N1	HN1	109.8°	106.7°
N1	C6	C5	109.2°	109.8°
N1	C6	H61	112.2°	109.4°
N1	C6	H62	112.3°	109.4°
C3	C2	H21	114.0°	109.4°
C3	C2	H22	114.0°	109.4°
C2	C3	C4	109.3°	109.2°
C2	C3	H31	112.3°	109.6°
C2	C3	H32	112.2°	109.4°
H21	C2	H22	96.5°	109.4°
C5	C6	H61	112.3°	109.5°
C5	C6	H62	112.3°	109.3°
C6	C5	C4	107.3°	109.2°
C6	C5	C1'	112.4°	109.6°
C6	C5	H5	111.2°	109.5°
H61	C6	H62	98.1°	109.3°
C4	C3	H31	112.3°	109.6°
C4	C3	H32	112.3°	109.5°
C3	C4	C5	116.9°	109.0°
C3	C4	H41	109.5°	109.5°
C3	C4	H42	109.5°	109.6°
H31	C3	H32	98.1°	109.5°
C5	C4	H41	109.5°	109.5°
C5	C4	H42	109.5°	109.6°
C4	C5	C1'	115.1°	109.5°
C4	C5	H5	108.2°	109.5°
H41	C4	H42	100.7°	109.6°
C1'	C5	H5	102.6°	109.5°
C5	C1'	C2'	108.5°	109.5°
C5	C1'	H1'1	112.6°	109.4°
C5	C1'	H1'2	112.6°	109.5°
C2'	C1'	H1'1	112.6°	109.5°
C2'	C1'	H1'2	112.6°	109.5°
C1'	C2'	C3'	111.5°	109.5°
C1'	C2'	H2'1	111.4°	109.5°
C1'	C2'	H2'2	111.4°	109.5°
H1'1	C1'	H1'2	97.8°	109.5°
C3'	C2'	H2'1	111.4°	109.4°
C3'	C2'	H2'2	111.5°	109.5°
C2'	C3'	C4'	106.5°	109.6°
C2'	C3'	H3'1	113.3°	109.5°
C2'	C3'	H3'2	113.3°	109.5°
H2'1	C2'	H2'2	98.9°	109.4°
C4'	C3'	H3'1	113.3°	109.5°
C4'	C3'	H3'2	113.3°	109.5°
C3'	C4'	H4'1	106.6°	109.6°
C3'	C4'	H4'2	113.3°	109.5°
C3'	C4'	H4'3	113.4°	109.5°
H3'1	C3'	H3'2	97.2°	109.4°
H4'1	C4'	H4'2	113.3°	109.5°
H4'1	C4'	H4'3	113.3°	109.4°
H4'2	C4'	H4'3	97.1°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N1	C6	HN1	125.3°	114.1°
N1	C2	C3	H21	125.2°	120.0°
N1	C2	C3	H22	125.2°	120.1°
N1	C2	H21	H22	119.8°	119.9°
C2	N1	C6	C5	66.8°	65.5°
C2	N1	C6	H61	168.0°	174.2°
C2	N1	C6	H62	58.5°	54.5°
N1	C2	C3	C4	54.5°	61.3°
N1	C2	C3	H31	179.8°	178.7°
N1	C2	C3	H32	70.8°	58.6°
C6	N1	C2	C3	66.3°	65.6°
C6	N1	C2	H21	59.0°	54.5°
C6	N1	C2	H22	168.4°	174.3°
N1	C6	C5	H61	125.2°	120.2°
N1	C6	C5	H62	125.3°	120.1°
N1	C6	H61	H62	118.2°	119.8°
N1	C6	C5	C4	51.8°	61.2°
N1	C6	C5	C1'	75.7°	178.8°
N1	C6	C5	H5	169.9°	58.6°
HN1	N1	C2	C3	168.4°	179.7°
HN1	N1	C2	H21	66.3°	59.7°
HN1	N1	C2	H22	43.2°	60.2°
HN1	N1	C6	C5	167.9°	179.6°
HN1	N1	C6	H61	42.7°	60.1°
HN1	N1	C6	H62	66.7°	59.6°
C3	C2	H21	H22	119.9°	119.8°
C2	C3	C4	H31	125.3°	120.0°
C2	C3	C4	H32	125.2°	119.8°
C2	C3	H31	H32	118.2°	120.1°
C2	C3	C4	C5	52.3°	55.5°
C2	C3	C4	H41	73.0°	64.3°
C2	C3	C4	H42	177.5°	175.4°
H21	C2	C3	C4	70.7°	58.7°
H21	C2	C3	H31	54.6°	61.3°
H21	C2	C3	H32	164.0°	178.6°
H22	C2	C3	C4	179.7°	178.5°
H22	C2	C3	H31	55.0°	58.5°
H22	C2	C3	H32	54.5°	61.6°
C5	C6	H61	H62	118.3°	119.7°
C6	C5	C4	C3	49.4°	55.5°
C6	C5	C4	C1'	125.9°	120.1°
C6	C5	C4	H5	120.0°	119.9°
C6	C5	C4	H41	75.8°	64.3°
C6	C5	C4	H42	174.6°	175.4°
C6	C5	C1'	H5	119.5°	120.1°
C6	C5	C1'	C2'	176.5°	60.1°
C6	C5	C1'	H1'1	58.2°	59.9°
C6	C5	C1'	H1'2	51.2°	179.9°
H61	C6	C5	C4	177.0°	178.6°
H61	C6	C5	C1'	49.5°	58.6°
H61	C6	C5	H5	64.9°	61.6°
H62	C6	C5	C4	73.5°	58.8°
H62	C6	C5	C1'	159.0°	61.2°
H62	C6	C5	H5	44.6°	178.7°
C4	C3	H31	H32	118.2°	120.1°
C3	C4	C5	H41	125.2°	119.8°
C3	C4	C5	H42	125.2°	119.9°
C3	C4	H41	H42	115.3°	120.3°
C3	C4	C5	C1'	76.5°	175.5°
C3	C4	C5	H5	169.4°	64.4°
H31	C3	C4	C5	177.6°	175.5°
H31	C3	C4	H41	52.3°	55.7°
H31	C3	C4	H42	57.2°	64.6°
H32	C3	C4	C5	73.0°	64.3°
H32	C3	C4	H41	161.8°	175.9°
H32	C3	C4	H42	52.3°	55.6°
C5	C4	H41	H42	115.3°	120.3°
C4	C5	C1'	H5	117.3°	120.0°
C4	C5	C1'	C2'	60.3°	179.9°
C4	C5	C1'	H1'1	65.0°	60.0°
C4	C5	C1'	H1'2	174.4°	60.1°
H41	C4	C5	C1'	158.3°	55.7°
H41	C4	C5	H5	44.2°	175.8°
H42	C4	C5	C1'	48.7°	64.6°
H42	C4	C5	H5	65.3°	55.4°
C5	C1'	C2'	H1'1	125.3°	119.9°
C5	C1'	C2'	H1'2	125.3°	120.0°
C5	C1'	H1'1	H1'2	118.5°	120.0°
C5	C1'	C2'	C3'	161.9°	180.0°
C5	C1'	C2'	H2'1	72.9°	60.1°
C5	C1'	C2'	H2'2	36.6°	59.9°
H5	C5	C1'	C2'	57.0°	60.1°
H5	C5	C1'	H1'1	177.7°	180.0°
H5	C5	C1'	H1'2	68.3°	60.0°
C2'	C1'	H1'1	H1'2	118.5°	120.0°
C1'	C2'	C3'	H2'1	125.3°	120.0°
C1'	C2'	C3'	H2'2	125.2°	120.1°
C1'	C2'	H2'1	H2'2	117.3°	120.0°
C1'	C2'	C3'	C4'	62.1°	180.0°
C1'	C2'	C3'	H3'1	172.6°	60.0°
C1'	C2'	C3'	H3'2	63.1°	59.9°
H1'1	C1'	C2'	C3'	36.6°	60.0°
H1'1	C1'	C2'	H2'1	161.8°	180.0°
H1'1	C1'	C2'	H2'2	88.7°	60.0°
H1'2	C1'	C2'	C3'	72.8°	60.0°
H1'2	C1'	C2'	H2'1	52.4°	60.0°
H1'2	C1'	C2'	H2'2	161.9°	180.0°
C3'	C2'	H2'1	H2'2	117.4°	120.0°
C2'	C3'	C4'	H3'1	125.3°	120.1°
C2'	C3'	C4'	H3'2	125.3°	120.1°
C2'	C3'	H3'1	H3'2	119.3°	120.0°
C2'	C3'	C4'	H4'1	180.0°	180.0°
C2'	C3'	C4'	H4'2	54.8°	60.0°
C2'	C3'	C4'	H4'3	54.7°	60.0°
H2'1	C2'	C3'	C4'	63.1°	60.0°
H2'1	C2'	C3'	H3'1	62.1°	180.0°
H2'1	C2'	C3'	H3'2	171.7°	60.1°
H2'2	C2'	C3'	C4'	172.6°	59.9°
H2'2	C2'	C3'	H3'1	47.4°	60.1°
H2'2	C2'	C3'	H3'2	62.2°	180.0°
C4'	C3'	H3'1	H3'2	119.2°	119.9°
C3'	C4'	H4'1	H4'2	125.3°	120.1°
C3'	C4'	H4'1	H4'3	125.3°	120.0°
C3'	C4'	H4'2	H4'3	119.3°	120.0°
H3'1	C3'	C4'	H4'1	54.7°	60.0°
H3'1	C3'	C4'	H4'2	180.0°	60.1°
H3'1	C3'	C4'	H4'3	70.5°	180.0°
H3'2	C3'	C4'	H4'1	54.7°	59.9°
H3'2	C3'	C4'	H4'2	70.5°	179.9°
H3'2	C3'	C4'	H4'3	180.0°	60.1°
H4'1	C4'	H4'2	H4'3	119.2°	119.9°

Definition date:	1999-07-08
Last modified:	2023-11-03
Release status:	REL
Processing site:	EBI
Derived from:	1A1E