BMR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.36Å	1.40Å	Aromatic
C1	C6	sing	1.40Å	1.39Å	Aromatic
C1	C1'	sing	1.51Å	1.49Å
C2	C3	sing	1.41Å	1.39Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C3	C4	doub	1.42Å	1.39Å	Aromatic
C3	C23	sing	1.41Å	1.39Å	Aromatic
C4	C5	sing	1.40Å	1.39Å	Aromatic
C4	C20	sing	1.41Å	1.39Å	Aromatic
C5	C6	doub	1.37Å	1.39Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	O37	sing	1.36Å	1.37Å
PA	O1A	sing	1.61Å	1.51Å
PA	O2A	doub	1.48Å	1.51Å
PA	O3A	sing	1.61Å	1.62Å
PA	O5'	sing	1.61Å	1.61Å
PB	O1B	doub	1.48Å	1.51Å
PB	O2B	sing	1.61Å	1.51Å
PB	O3A	sing	1.61Å	1.61Å
PB	O3B	sing	1.61Å	1.61Å
PC	O1C	doub	1.48Å	1.51Å
PC	O2C	sing	1.61Å	1.51Å
PC	O3B	sing	1.61Å	1.61Å
PC	O3C	sing	1.61Å	1.51Å
C1'	C2'	sing	1.55Å	1.52Å
C1'	O4'	sing	1.44Å	1.44Å
C1'	H1'	sing	1.09Å	1.10Å
C2'	C3'	sing	1.55Å	1.51Å
C2'	H2'	sing	1.09Å	1.10Å
C2'	H2'A	sing	1.09Å	1.10Å
C20	C21	doub	1.36Å	1.39Å	Aromatic
C20	H20	sing	1.08Å	1.08Å
C21	C22	sing	1.39Å	1.39Å	Aromatic
C21	H21	sing	1.08Å	1.08Å
C22	C23	doub	1.36Å	1.39Å	Aromatic
C22	H22	sing	1.08Å	1.08Å
C23	H23	sing	1.08Å	1.08Å
C3'	O3'	sing	1.43Å	1.43Å
C3'	C4'	sing	1.54Å	1.52Å
C3'	H3'	sing	1.09Å	1.10Å
O3'	HO3'	sing	0.97Å	0.95Å
O37	C38	sing	1.43Å	1.43Å
C38	H38	sing	1.09Å	1.10Å
C38	H38A	sing	1.09Å	1.10Å
C38	H38B	sing	1.09Å	1.10Å
C4'	O4'	sing	1.44Å	1.43Å
C4'	C5'	sing	1.53Å	1.53Å
C4'	H4'	sing	1.09Å	1.10Å
C5'	O5'	sing	1.43Å	1.43Å
C5'	H5'	sing	1.09Å	1.10Å
C5'	H5'A	sing	1.09Å	1.10Å
O1A	H1A	sing	0.97Å	0.95Å
O2B	H2B	sing	0.97Å	0.95Å
O2C	H2C	sing	0.97Å	0.95Å
O3C	H3C	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	119.3°	120.9°
C2	C1	C1'	121.0°	119.5°
C1	C2	C3	120.4°	119.7°
C1	C2	H2	119.8°	120.1°
C6	C1	C1'	119.7°	119.5°
C1	C6	C5	120.5°	120.9°
C1	C6	O37	119.9°	119.6°
C1	C1'	C2'	110.3°	110.6°
C1	C1'	O4'	111.0°	110.6°
C1	C1'	H1'	109.6°	110.6°
C3	C2	H2	119.8°	120.2°
C2	C3	C4	120.0°	119.5°
C2	C3	C23	119.7°	121.2°
C4	C3	C23	120.3°	119.4°
C3	C4	C5	119.8°	119.4°
C3	C4	C20	119.9°	119.4°
C3	C23	C22	119.9°	119.7°
C3	C23	H23	120.0°	120.2°
C5	C4	C20	120.4°	121.2°
C4	C5	C6	120.0°	119.6°
C4	C5	H5	119.9°	120.2°
C4	C20	C21	119.8°	119.7°
C4	C20	H20	120.1°	120.2°
C6	C5	H5	120.0°	120.2°
C5	C6	O37	119.6°	119.6°
C6	O37	C38	119.8°	117.0°
O1A	PA	O2A	119.6°	109.5°
O1A	PA	O3A	108.8°	109.5°
O1A	PA	O5'	109.3°	109.4°
PA	O1A	H1A	109.5°	114.0°
O2A	PA	O3A	108.9°	109.5°
O2A	PA	O5'	107.4°	109.5°
O3A	PA	O5'	101.1°	109.5°
PA	O3A	PB	122.3°	134.0°
PA	O5'	C5'	121.5°	123.0°
O1B	PB	O2B	119.5°	109.4°
O1B	PB	O3A	107.8°	109.5°
O1B	PB	O3B	108.3°	109.5°
O2B	PB	O3A	108.5°	109.5°
O2B	PB	O3B	108.6°	109.4°
PB	O2B	H2B	109.5°	114.0°
O3A	PB	O3B	102.7°	109.5°
PB	O3B	PC	121.3°	134.0°
O1C	PC	O2C	114.0°	109.5°
O1C	PC	O3B	103.6°	109.5°
O1C	PC	O3C	114.7°	109.4°
O2C	PC	O3B	103.8°	109.5°
O2C	PC	O3C	114.6°	109.5°
PC	O2C	H2C	109.5°	114.0°
O3B	PC	O3C	104.3°	109.5°
PC	O3C	H3C	109.5°	114.0°
C2'	C1'	O4'	106.4°	103.5°
C2'	C1'	H1'	109.2°	110.6°
C1'	C2'	C3'	103.8°	102.1°
C1'	C2'	H2'	110.9°	110.9°
C1'	C2'	H2'A	110.8°	110.9°
O4'	C1'	H1'	110.4°	110.8°
C1'	O4'	C4'	110.9°	106.9°
C3'	C2'	H2'	110.9°	110.9°
C3'	C2'	H2'A	110.9°	110.9°
C2'	C3'	O3'	111.5°	110.4°
C2'	C3'	C4'	103.4°	104.2°
C2'	C3'	H3'	109.4°	110.5°
H2'	C2'	H2'A	109.5°	110.9°
C21	C20	H20	120.1°	120.1°
C20	C21	C22	120.2°	120.9°
C20	C21	H21	119.9°	119.5°
C22	C21	H21	119.9°	119.5°
C21	C22	C23	119.9°	121.0°
C21	C22	H22	120.0°	119.5°
C23	C22	H22	120.1°	119.5°
C22	C23	H23	120.1°	120.2°
O3'	C3'	C4'	112.1°	110.5°
O3'	C3'	H3'	110.7°	110.4°
C3'	O3'	HO3'	109.5°	114.1°
C4'	C3'	H3'	109.4°	110.6°
C3'	C4'	O4'	105.8°	107.3°
C3'	C4'	C5'	113.2°	109.9°
C3'	C4'	H4'	108.1°	109.9°
O37	C38	H38	109.5°	109.5°
O37	C38	H38A	109.4°	109.4°
O37	C38	H38B	109.5°	109.5°
H38	C38	H38A	109.5°	109.5°
H38	C38	H38B	109.4°	109.5°
H38A	C38	H38B	109.5°	109.5°
O4'	C4'	C5'	112.6°	109.9°
O4'	C4'	H4'	109.1°	109.8°
C5'	C4'	H4'	108.0°	110.0°
C4'	C5'	O5'	111.0°	109.5°
C4'	C5'	H5'	109.1°	109.5°
C4'	C5'	H5'A	109.1°	109.4°
O5'	C5'	H5'	109.1°	109.5°
O5'	C5'	H5'A	109.1°	109.5°
H5'	C5'	H5'A	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	C1'	179.6°	179.7°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	0.2°	0.0°
C1	C2	C3	C23	179.8°	180.0°
C2	C1	C6	C5	0.2°	0.0°
C2	C1	C6	O37	179.9°	180.0°
C2	C1	C1'	C2'	111.3°	95.0°
C2	C1	C1'	O4'	6.3°	19.0°
C2	C1	C1'	H1'	128.5°	142.2°
C6	C1	C2	C3	0.3°	0.0°
C6	C1	C2	H2	179.7°	179.9°
C1	C6	C5	C4	0.1°	0.0°
C1	C6	C5	O37	179.7°	180.0°
C1	C6	C5	H5	179.9°	180.0°
C6	C1	C1'	C2'	68.3°	84.7°
C6	C1	C1'	O4'	174.1°	161.2°
C6	C1	C1'	H1'	51.9°	38.1°
C1	C6	O37	C38	110.1°	180.0°
C1'	C1	C2	C3	179.9°	179.7°
C1'	C1	C2	H2	0.1°	0.2°
C1'	C1	C6	C5	179.9°	179.7°
C1'	C1	C6	O37	0.5°	0.3°
C1	C1'	C2'	O4'	120.4°	118.5°
C1	C1'	C2'	H1'	120.5°	122.9°
C1	C1'	O4'	H1'	121.7°	123.0°
C1	C1'	C2'	C3'	98.4°	155.5°
C1	C1'	C2'	H2'	142.4°	86.3°
C1	C1'	C2'	H2'A	20.6°	37.3°
C1	C1'	O4'	C4'	115.8°	158.5°
C2	C3	C4	C23	180.0°	180.0°
C2	C3	C4	C5	0.0°	0.0°
C2	C3	C4	C20	180.0°	180.0°
C2	C3	C23	C22	179.9°	180.0°
C2	C3	C23	H23	0.1°	0.0°
H2	C2	C3	C4	179.8°	180.0°
H2	C2	C3	C23	0.2°	0.1°
C3	C4	C5	C20	180.0°	180.0°
C3	C4	C5	C6	0.0°	0.0°
C3	C4	C5	H5	180.0°	180.0°
C3	C4	C20	C21	0.1°	0.1°
C3	C4	C20	H20	179.9°	179.9°
C4	C3	C23	C22	0.1°	0.0°
C4	C3	C23	H23	179.9°	180.0°
C23	C3	C4	C5	180.0°	180.0°
C23	C3	C4	C20	0.1°	0.0°
C3	C23	C22	C21	0.2°	0.1°
C3	C23	C22	H23	180.0°	180.0°
C3	C23	C22	H22	179.8°	180.0°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	O37	179.7°	180.0°
C5	C4	C20	C21	179.9°	179.9°
C5	C4	C20	H20	0.1°	0.0°
C20	C4	C5	C6	180.0°	180.0°
C20	C4	C5	H5	0.0°	0.0°
C4	C20	C21	H20	180.0°	179.9°
C4	C20	C21	C22	0.1°	0.1°
C4	C20	C21	H21	179.9°	180.0°
C5	C6	O37	C38	69.6°	0.0°
H5	C5	C6	O37	0.3°	0.0°
C6	O37	C38	H38	180.0°	60.0°
C6	O37	C38	H38A	60.0°	180.0°
C6	O37	C38	H38B	60.0°	60.0°
O1A	PA	O2A	O3A	126.0°	120.0°
O1A	PA	O2A	O5'	125.3°	120.0°
O1A	PA	O3A	O5'	115.1°	119.9°
O1A	PA	O3A	PB	28.1°	75.0°
O1A	PA	O5'	C5'	8.5°	65.1°
O2A	PA	O3A	O5'	113.0°	120.0°
O2A	PA	O3A	PB	103.9°	45.0°
O2A	PA	O5'	C5'	139.8°	54.9°
O2A	PA	O1A	H1A	0.0°	180.0°
PA	O3A	PB	O1B	177.0°	45.0°
PA	O3A	PB	O2B	46.2°	75.0°
PA	O3A	PB	O3B	68.7°	165.0°
O3A	PA	O5'	C5'	106.2°	175.0°
O3A	PA	O1A	H1A	126.0°	60.0°
O5'	PA	O3A	PB	143.2°	165.0°
PA	O5'	C5'	C4'	172.4°	180.0°
PA	O5'	C5'	H5'	67.4°	59.9°
PA	O5'	C5'	H5'A	52.2°	60.1°
O5'	PA	O1A	H1A	124.4°	60.0°
O1B	PB	O2B	O3A	124.1°	120.0°
O1B	PB	O2B	O3B	124.9°	120.0°
O1B	PB	O3A	O3B	114.3°	120.0°
O1B	PB	O3B	PC	99.1°	39.9°
O1B	PB	O2B	H2B	0.0°	180.0°
O2B	PB	O3A	O3B	114.9°	120.0°
O2B	PB	O3B	PC	32.2°	80.0°
O3A	PB	O3B	PC	147.0°	160.0°
O3A	PB	O2B	H2B	124.2°	60.0°
PB	O3B	PC	O1C	178.6°	40.1°
PB	O3B	PC	O2C	62.0°	79.9°
PB	O3B	PC	O3C	58.3°	160.1°
O3B	PB	O2B	H2B	124.9°	60.0°
O1C	PC	O2C	O3B	112.0°	120.0°
O1C	PC	O2C	O3C	135.0°	120.0°
O1C	PC	O3B	O3C	120.4°	120.0°
O1C	PC	O2C	H2C	0.0°	180.0°
O1C	PC	O3C	H3C	0.0°	59.9°
O2C	PC	O3B	O3C	120.3°	120.0°
O2C	PC	O3C	H3C	134.7°	60.0°
O3B	PC	O2C	H2C	112.0°	60.0°
O3B	PC	O3C	H3C	112.6°	179.9°
O3C	PC	O2C	H2C	135.0°	60.0°
C2'	C1'	O4'	H1'	118.3°	118.5°
C1'	C2'	C3'	H2'	119.1°	118.1°
C1'	C2'	C3'	H2'A	119.1°	118.2°
C1'	C2'	H2'	H2'A	122.6°	123.6°
C1'	C2'	C3'	O3'	151.2°	97.8°
C1'	C2'	C3'	C4'	30.5°	20.9°
C1'	C2'	C3'	H3'	86.0°	139.7°
C2'	C1'	O4'	C4'	4.1°	40.1°
O4'	C1'	C2'	C3'	22.0°	37.0°
O4'	C1'	C2'	H2'	97.1°	155.2°
O4'	C1'	C2'	H2'A	141.0°	81.2°
C1'	O4'	C4'	C3'	15.5°	26.5°
C1'	O4'	C4'	C5'	139.6°	146.0°
C1'	O4'	C4'	H4'	100.5°	92.9°
H1'	C1'	C2'	C3'	141.1°	81.6°
H1'	C1'	C2'	H2'	22.0°	36.6°
H1'	C1'	C2'	H2'A	99.8°	160.2°
H1'	C1'	O4'	C4'	122.4°	78.5°
C3'	C2'	H2'	H2'A	122.6°	123.7°
C2'	C3'	O3'	C4'	115.5°	114.8°
C2'	C3'	O3'	H3'	122.1°	122.5°
C2'	C3'	C4'	H3'	116.5°	118.7°
C2'	C3'	O3'	HO3'	180.0°	61.5°
C2'	C3'	C4'	O4'	28.6°	2.0°
C2'	C3'	C4'	C5'	152.4°	121.5°
C2'	C3'	C4'	H4'	88.1°	117.4°
H2'	C2'	C3'	O3'	32.1°	20.3°
H2'	C2'	C3'	C4'	88.6°	139.0°
H2'	C2'	C3'	H3'	154.9°	102.1°
H2'A	C2'	C3'	O3'	89.7°	144.0°
H2'A	C2'	C3'	C4'	149.6°	97.3°
H2'A	C2'	C3'	H3'	33.1°	21.6°
C20	C21	C22	H21	180.0°	179.9°
C20	C21	C22	C23	0.2°	0.1°
C20	C21	C22	H22	179.8°	179.9°
H20	C20	C21	C22	179.9°	180.0°
H20	C20	C21	H21	0.1°	0.1°
C21	C22	C23	H22	180.0°	180.0°
C21	C22	C23	H23	179.8°	180.0°
H21	C21	C22	C23	179.8°	180.0°
H21	C21	C22	H22	0.2°	0.0°
H22	C22	C23	H23	0.2°	0.0°
O3'	C3'	C4'	H3'	123.2°	122.6°
O3'	C3'	C4'	O4'	149.0°	120.7°
O3'	C3'	C4'	C5'	87.3°	119.9°
O3'	C3'	C4'	H4'	32.2°	1.3°
C4'	C3'	O3'	HO3'	64.5°	176.3°
C3'	C4'	O4'	C5'	124.1°	119.5°
C3'	C4'	O4'	H4'	116.0°	119.5°
C3'	C4'	C5'	H4'	119.6°	121.1°
C3'	C4'	C5'	O5'	63.7°	175.0°
C3'	C4'	C5'	H5'	176.0°	55.0°
C3'	C4'	C5'	H5'A	56.5°	65.0°
H3'	C3'	O3'	HO3'	58.0°	61.0°
H3'	C3'	C4'	O4'	87.9°	116.7°
H3'	C3'	C4'	C5'	35.8°	2.7°
H3'	C3'	C4'	H4'	155.3°	123.9°
O37	C38	H38	H38A	120.0°	120.0°
O37	C38	H38	H38B	120.0°	120.0°
O37	C38	H38A	H38B	120.0°	120.0°
H38	C38	H38A	H38B	120.0°	120.0°
O4'	C4'	C5'	H4'	120.5°	121.0°
O4'	C4'	C5'	O5'	56.1°	67.1°
O4'	C4'	C5'	H5'	64.1°	172.8°
O4'	C4'	C5'	H5'A	176.4°	52.9°
C4'	C5'	O5'	H5'	120.2°	120.0°
C4'	C5'	O5'	H5'A	120.2°	119.9°
C4'	C5'	H5'	H5'A	119.3°	119.9°
H4'	C4'	C5'	O5'	176.7°	53.9°
H4'	C4'	C5'	H5'	56.4°	66.2°
H4'	C4'	C5'	H5'A	63.1°	173.9°
O5'	C5'	H5'	H5'A	119.3°	120.0°

Release date:	2013-12-11
Definition date:	2013-10-02
Last modified:	2021-03-01
Release status:	REL
Processing site:	EBI
Derived from:	4C8k