5CD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N9	C8	sing	1.36Å	1.33Å	Aromatic
N9	C4	sing	1.37Å	1.33Å	Aromatic
N9	C1'	sing	1.47Å	1.48Å
C8	N7	doub	1.30Å	1.33Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
N7	C5	sing	1.36Å	1.33Å	Aromatic
C5	C4	doub	1.41Å	1.38Å	Aromatic
C5	C6	sing	1.40Å	1.38Å	Aromatic
C4	N3	sing	1.33Å	1.34Å	Aromatic
N3	C2	doub	1.32Å	1.32Å	Aromatic
C2	N1	sing	1.32Å	1.33Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
N1	C6	doub	1.33Å	1.34Å	Aromatic
C6	N6	sing	1.38Å	1.34Å
N6	H6N1	sing	0.97Å	1.02Å
N6	H6N2	sing	0.97Å	1.02Å
O2'	C2'	sing	1.43Å	1.43Å
O2'	H2'	sing	0.97Å	0.95Å
C2'	C3'	sing	1.55Å	1.54Å
C2'	C1'	sing	1.54Å	1.54Å
C2'	HA	sing	1.09Å	1.12Å
C3'	O3'	sing	1.43Å	1.43Å
C3'	C4'	sing	1.54Å	1.53Å
C3'	H3'	sing	1.09Å	1.12Å
O3'	HB	sing	0.97Å	0.95Å
C4'	C5'	sing	1.53Å	1.54Å
C4'	O4'	sing	1.44Å	1.44Å
C4'	H4'	sing	1.09Å	1.11Å
C5'	CL	sing	1.80Å	1.79Å
C5'	H5'1	sing	1.09Å	1.11Å
C5'	H5'2	sing	1.09Å	1.12Å
O4'	C1'	sing	1.44Å	1.43Å
C1'	H1'	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	N9	C4	108.6°	107.4°
C8	N9	C1'	126.5°	126.3°
N9	C8	N7	109.2°	110.0°
N9	C8	H8	125.4°	125.0°
C4	N9	C1'	124.9°	126.3°
N9	C4	C5	106.7°	106.0°
N9	C4	N3	133.0°	134.9°
N9	C1'	C2'	108.2°	110.4°
N9	C1'	O4'	108.2°	110.3°
N9	C1'	H1'	111.7°	110.4°
N7	C8	H8	125.4°	124.9°
C8	N7	C5	107.5°	109.4°
N7	C5	C4	107.9°	107.1°
N7	C5	C6	133.6°	134.7°
C4	C5	C6	118.4°	118.2°
C5	C4	N3	120.3°	119.1°
C5	C6	N1	118.4°	118.5°
C5	C6	N6	120.3°	120.8°
C4	N3	C2	120.0°	120.6°
N3	C2	N1	121.2°	122.5°
N3	C2	H2	119.4°	118.8°
N1	C2	H2	119.4°	118.8°
C2	N1	C6	121.7°	121.2°
N1	C6	N6	121.3°	120.7°
C6	N6	H6N1	120.3°	120.0°
C6	N6	H6N2	121.3°	120.0°
H6N1	N6	H6N2	118.4°	120.0°
C2'	O2'	H2'	109.5°	106.8°
O2'	C2'	C3'	111.1°	110.5°
O2'	C2'	C1'	109.5°	110.8°
O2'	C2'	HA	110.6°	110.4°
C3'	C2'	C1'	104.4°	104.0°
C3'	C2'	HA	110.6°	110.5°
C2'	C3'	O3'	110.2°	110.5°
C2'	C3'	C4'	103.6°	104.0°
C2'	C3'	H3'	111.2°	110.6°
C1'	C2'	HA	110.6°	110.5°
C2'	C1'	O4'	105.1°	104.9°
C2'	C1'	H1'	111.7°	110.4°
O3'	C3'	C4'	109.1°	110.5°
O3'	C3'	H3'	111.2°	110.5°
C3'	O3'	HB	110.2°	106.8°
C4'	C3'	H3'	111.2°	110.5°
C3'	C4'	C5'	110.6°	110.5°
C3'	C4'	O4'	103.6°	104.8°
C3'	C4'	H4'	110.7°	110.4°
C5'	C4'	O4'	110.3°	110.4°
C5'	C4'	H4'	110.7°	110.3°
C4'	C5'	CL	110.6°	109.5°
C4'	C5'	H5'1	111.8°	109.5°
C4'	C5'	H5'2	111.7°	109.4°
O4'	C4'	H4'	110.7°	110.3°
C4'	O4'	C1'	105.6°	105.3°
CL	C5'	H5'1	111.8°	109.5°
CL	C5'	H5'2	111.8°	109.5°
H5'1	C5'	H5'2	98.6°	109.4°
O4'	C1'	H1'	111.7°	110.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	N9	C4	C1'	179.3°	180.0°
N9	C8	N7	H8	180.0°	179.9°
N9	C8	N7	C5	0.2°	0.3°
C8	N9	C4	C5	0.2°	0.2°
C8	N9	C4	N3	179.6°	180.0°
C8	N9	C1'	C2'	58.7°	93.4°
C8	N9	C1'	O4'	54.6°	22.1°
C8	N9	C1'	H1'	177.9°	144.3°
C4	N9	C8	N7	0.0°	0.0°
C4	N9	C8	H8	180.0°	179.9°
N9	C4	C5	N7	0.3°	0.4°
N9	C4	C5	N3	179.9°	179.8°
N9	C4	C5	C6	179.5°	179.6°
N9	C4	N3	C2	179.8°	179.9°
C4	N9	C1'	C2'	122.1°	86.6°
C4	N9	C1'	O4'	124.6°	158.0°
C4	N9	C1'	H1'	1.2°	35.8°
C1'	N9	C8	N7	179.3°	180.0°
C1'	N9	C8	H8	0.7°	0.1°
C1'	N9	C4	C5	179.5°	179.7°
C1'	N9	C4	N3	0.3°	0.1°
N9	C1'	C2'	O2'	107.6°	98.6°
N9	C1'	C2'	C3'	133.3°	142.7°
N9	C1'	C2'	O4'	115.4°	118.8°
N9	C1'	C2'	H1'	123.3°	122.3°
N9	C1'	C2'	HA	14.4°	24.1°
N9	C1'	O4'	C4'	153.7°	159.3°
N9	C1'	O4'	H1'	123.3°	122.2°
C8	N7	C5	C4	0.3°	0.4°
C8	N7	C5	C6	179.5°	179.5°
H8	C8	N7	C5	179.8°	179.8°
N7	C5	C4	C6	179.9°	179.2°
N7	C5	C4	N3	179.5°	179.8°
N7	C5	C6	N1	179.7°	179.5°
N7	C5	C6	N6	0.1°	0.8°
C5	C4	N3	C2	0.4°	0.3°
C4	C5	C6	N1	0.5°	0.6°
C4	C5	C6	N6	180.0°	179.7°
C6	C5	C4	N3	0.6°	0.5°
C5	C6	N1	C2	0.1°	0.3°
C5	C6	N1	N6	179.6°	179.7°
C5	C6	N6	H6N1	180.0°	179.7°
C5	C6	N6	H6N2	0.5°	0.6°
C4	N3	C2	N1	0.0°	0.0°
C4	N3	C2	H2	180.0°	180.0°
N3	C2	N1	H2	180.0°	180.0°
N3	C2	N1	C6	0.1°	0.0°
C2	N1	C6	N6	179.7°	180.0°
H2	C2	N1	C6	179.9°	180.0°
N1	C6	N6	H6N1	0.4°	0.1°
N1	C6	N6	H6N2	180.0°	179.7°
C6	N6	H6N1	H6N2	179.6°	179.7°
O2'	C2'	C3'	C1'	117.9°	118.9°
O2'	C2'	C3'	HA	123.1°	122.5°
O2'	C2'	C1'	HA	122.1°	122.7°
O2'	C2'	C3'	O3'	6.1°	0.1°
O2'	C2'	C3'	C4'	110.6°	118.8°
O2'	C2'	C3'	H3'	129.9°	122.5°
O2'	C2'	C1'	O4'	136.9°	142.6°
O2'	C2'	C1'	H1'	15.7°	23.7°
H2'	O2'	C2'	C3'	65.2°	61.4°
H2'	O2'	C2'	C1'	180.0°	176.2°
H2'	O2'	C2'	HA	57.9°	61.2°
C3'	C2'	C1'	HA	118.9°	118.6°
C2'	C3'	O3'	C4'	113.1°	114.6°
C2'	C3'	O3'	H3'	123.8°	122.7°
C2'	C3'	C4'	H3'	119.5°	118.7°
C2'	C3'	O3'	HB	180.0°	176.1°
C2'	C3'	C4'	C5'	148.3°	143.0°
C2'	C3'	C4'	O4'	30.0°	24.0°
C2'	C3'	C4'	H4'	88.7°	94.8°
C3'	C2'	C1'	O4'	17.9°	23.9°
C3'	C2'	C1'	H1'	103.3°	95.0°
C1'	C2'	C3'	O3'	124.0°	118.8°
C1'	C2'	C3'	C4'	7.3°	0.1°
C1'	C2'	C3'	H3'	112.2°	118.6°
C2'	C1'	O4'	C4'	38.3°	40.4°
C2'	C1'	O4'	H1'	121.3°	118.9°
HA	C2'	C3'	O3'	117.1°	122.7°
HA	C2'	C3'	C4'	126.3°	118.7°
HA	C2'	C3'	H3'	6.7°	0.0°
HA	C2'	C1'	O4'	101.0°	94.7°
HA	C2'	C1'	H1'	137.8°	146.4°
O3'	C3'	C4'	H3'	123.1°	122.6°
O3'	C3'	C4'	C5'	94.4°	98.3°
O3'	C3'	C4'	O4'	147.4°	142.7°
O3'	C3'	C4'	H4'	28.7°	23.9°
C4'	C3'	O3'	HB	66.9°	61.4°
C3'	C4'	C5'	O4'	114.0°	115.5°
C3'	C4'	C5'	H4'	123.0°	122.3°
C3'	C4'	O4'	H4'	118.7°	118.8°
C3'	C4'	C5'	CL	55.8°	178.1°
C3'	C4'	C5'	H5'1	69.5°	58.0°
C3'	C4'	C5'	H5'2	179.0°	61.9°
C3'	C4'	O4'	C1'	43.1°	40.5°
H3'	C3'	O3'	HB	56.2°	61.2°
H3'	C3'	C4'	C5'	28.7°	24.3°
H3'	C3'	C4'	O4'	89.5°	94.7°
H3'	C3'	C4'	H4'	151.8°	146.5°
C5'	C4'	O4'	H4'	122.9°	122.2°
C4'	C5'	CL	H5'1	125.2°	120.1°
C4'	C5'	CL	H5'2	125.2°	119.9°
C4'	C5'	H5'1	H5'2	117.7°	119.9°
C5'	C4'	O4'	C1'	161.5°	159.5°
O4'	C4'	C5'	CL	58.3°	66.4°
O4'	C4'	C5'	H5'1	176.5°	173.5°
O4'	C4'	C5'	H5'2	67.0°	53.6°
C4'	O4'	C1'	H1'	83.0°	78.4°
H4'	C4'	C5'	CL	178.8°	55.8°
H4'	C4'	C5'	H5'1	53.6°	64.3°
H4'	C4'	C5'	H5'2	55.9°	175.8°
H4'	C4'	O4'	C1'	75.6°	78.3°
CL	C5'	H5'1	H5'2	117.7°	120.0°

Definition date:	2005-09-30
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	2C2W