HXP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.42Å	Aromatic
C1	C9A	sing	1.38Å	1.44Å	Aromatic
C1	H1	sing	1.08Å	1.10Å
C2	C3	sing	1.39Å	1.38Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
C3	O3	sing	1.36Å	1.38Å
C3	C4	doub	1.38Å	1.37Å	Aromatic
O3	HO3	sing	0.97Å	0.95Å
C4	C4A	sing	1.40Å	1.41Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C4A	O10	sing	1.34Å	1.42Å
C4A	C9A	doub	1.38Å	1.43Å	Aromatic
O10	C5A	sing	1.34Å	1.38Å
C5A	C5	doub	1.40Å	1.39Å	Aromatic
C5A	C8A	sing	1.38Å	1.39Å	Aromatic
C5	C6	sing	1.38Å	1.41Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	O6	sing	1.36Å	1.40Å
C6	C7	doub	1.39Å	1.39Å	Aromatic
O6	HO6	sing	0.97Å	0.95Å
C7	C8	sing	1.38Å	1.41Å	Aromatic
C7	H7	sing	1.08Å	1.10Å
C8	C8A	doub	1.38Å	1.41Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
C8A	C9	sing	1.51Å	1.37Å
C9	C9A	sing	1.51Å	1.40Å
C9	C1'	sing	1.53Å	1.50Å
C9	H9	sing	1.09Å	1.12Å
C1'	C2'	sing	1.53Å	1.54Å
C1'	H1'1	sing	1.09Å	1.12Å
C1'	H1'2	sing	1.09Å	1.11Å
C2'	C3'	sing	1.51Å	1.59Å
C2'	H2'1	sing	1.09Å	1.11Å
C2'	H2'2	sing	1.09Å	1.12Å
C3'	O1'	doub	1.21Å	1.24Å
C3'	O2'	sing	1.34Å	1.24Å
O2'	HO2'	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C9A	119.8°	120.3°
C2	C1	H1	119.3°	119.9°
C1	C2	C3	120.8°	119.6°
C1	C2	H2	120.8°	120.2°
C9A	C1	H1	120.9°	119.8°
C1	C9A	C4A	117.4°	120.7°
C1	C9A	C9	120.7°	119.3°
C3	C2	H2	118.4°	120.2°
C2	C3	O3	113.4°	119.9°
C2	C3	C4	120.5°	120.1°
O3	C3	C4	126.1°	120.0°
C3	O3	HO3	113.4°	106.8°
C3	C4	C4A	121.2°	120.5°
C3	C4	H4	118.3°	119.8°
C4A	C4	H4	120.5°	119.7°
C4	C4A	O10	119.1°	118.0°
C4	C4A	C9A	120.3°	118.9°
O10	C4A	C9A	120.6°	123.2°
C4A	O10	C5A	113.6°	114.7°
C4A	C9A	C9	122.0°	120.0°
O10	C5A	C5	113.4°	118.0°
O10	C5A	C8A	126.5°	123.1°
C5	C5A	C8A	120.1°	118.9°
C5A	C5	C6	122.5°	120.5°
C5A	C5	H5	117.8°	119.8°
C5A	C8A	C8	117.9°	120.6°
C5A	C8A	C9	120.3°	120.1°
C6	C5	H5	119.7°	119.8°
C5	C6	O6	124.0°	120.0°
C5	C6	C7	117.7°	120.1°
O6	C6	C7	118.3°	119.9°
C6	O6	HO6	123.9°	106.8°
C6	C7	C8	119.6°	119.6°
C6	C7	H7	119.6°	120.2°
C8	C7	H7	120.8°	120.2°
C7	C8	C8A	122.1°	120.3°
C7	C8	H8	118.7°	119.9°
C8A	C8	H8	119.1°	119.8°
C8	C8A	C9	121.7°	119.2°
C8A	C9	C9A	116.9°	108.2°
C8A	C9	C1'	119.7°	109.7°
C8A	C9	H9	155.6°	109.8°
C9A	C9	C1'	123.4°	109.7°
C9A	C9	H9	87.3°	109.8°
C1'	C9	H9	36.2°	109.7°
C9	C1'	C2'	127.7°	109.5°
C9	C1'	H1'1	105.8°	109.5°
C9	C1'	H1'2	105.8°	109.5°
C2'	C1'	H1'1	105.8°	109.4°
C2'	C1'	H1'2	105.8°	109.5°
C1'	C2'	C3'	118.9°	109.5°
C1'	C2'	H2'1	108.8°	109.5°
C1'	C2'	H2'2	108.8°	109.5°
H1'1	C1'	H1'2	103.5°	109.5°
C3'	C2'	H2'1	108.8°	109.5°
C3'	C2'	H2'2	108.8°	109.5°
C2'	C3'	O1'	117.3°	119.9°
C2'	C3'	O2'	120.0°	120.0°
H2'1	C2'	H2'2	101.2°	109.4°
O1'	C3'	O2'	122.7°	120.0°
C3'	O2'	HO2'	119.9°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C9A	H1	180.0°	180.0°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	O3	179.8°	179.5°
C1	C2	C3	C4	1.1°	0.6°
C2	C1	C9A	C4A	0.1°	0.5°
C2	C1	C9A	C9	179.7°	178.9°
C9A	C1	C2	C3	1.1°	0.3°
C9A	C1	C2	H2	178.9°	179.8°
C1	C9A	C4A	C4	1.2°	1.0°
C1	C9A	C4A	O10	179.8°	178.6°
C1	C9A	C4A	C9	179.6°	179.3°
C1	C9A	C9	C8A	179.7°	157.0°
C1	C9A	C9	C1'	0.5°	83.3°
C1	C9A	C9	H9	2.7°	37.3°
H1	C1	C2	C3	178.9°	179.6°
H1	C1	C2	H2	1.1°	0.3°
H1	C1	C9A	C4A	179.9°	179.5°
H1	C1	C9A	C9	0.3°	1.1°
C2	C3	O3	C4	179.0°	179.9°
C2	C3	O3	HO3	179.9°	89.9°
C2	C3	C4	C4A	0.0°	0.1°
C2	C3	C4	H4	180.0°	180.0°
H2	C2	C3	O3	0.3°	0.4°
H2	C2	C3	C4	178.8°	179.5°
O3	C3	C4	C4A	178.9°	179.9°
O3	C3	C4	H4	1.0°	0.1°
C4	C3	O3	HO3	0.9°	90.0°
C3	C4	C4A	H4	180.0°	180.0°
C3	C4	C4A	O10	179.9°	178.9°
C3	C4	C4A	C9A	1.2°	0.7°
C4	C4A	O10	C9A	178.6°	179.6°
C4	C4A	O10	C5A	180.0°	151.7°
C4	C4A	C9A	C9	179.2°	178.3°
H4	C4	C4A	O10	0.1°	1.1°
H4	C4	C4A	C9A	178.8°	179.2°
C4A	O10	C5A	C5	179.8°	152.5°
C4A	O10	C5A	C8A	2.0°	28.9°
O10	C4A	C9A	C9	0.5°	2.0°
C9A	C4A	O10	C5A	1.4°	28.6°
C4A	C9A	C9	C8A	0.1°	22.3°
C4A	C9A	C9	C1'	179.9°	97.3°
C4A	C9A	C9	H9	176.9°	142.1°
O10	C5A	C5	C8A	178.3°	178.7°
O10	C5A	C5	C6	179.8°	178.1°
O10	C5A	C5	H5	0.3°	1.9°
O10	C5A	C8A	C8	179.4°	177.7°
O10	C5A	C8A	C9	1.7°	2.4°
C5A	C5	C6	H5	179.9°	180.0°
C5A	C5	C6	O6	179.8°	179.9°
C5A	C5	C6	C7	0.9°	0.0°
C5	C5A	C8A	C8	1.4°	0.9°
C5	C5A	C8A	C9	179.7°	178.9°
C8A	C5A	C5	C6	1.5°	0.6°
C8A	C5A	C5	H5	178.6°	179.4°
C5A	C8A	C8	C7	0.8°	0.6°
C5A	C8A	C8	C9	178.9°	179.8°
C5A	C8A	C8	H8	179.1°	179.5°
C5A	C8A	C9	C9A	0.6°	22.1°
C5A	C8A	C9	C1'	179.6°	97.5°
C5A	C8A	C9	H9	172.1°	141.9°
C5	C6	O6	C7	179.2°	179.9°
C5	C6	O6	HO6	180.0°	90.0°
C5	C6	C7	C8	0.3°	0.4°
C5	C6	C7	H7	179.7°	179.7°
H5	C5	C6	O6	0.1°	0.1°
H5	C5	C6	C7	179.1°	180.0°
O6	C6	C7	C8	179.6°	179.7°
O6	C6	C7	H7	0.4°	0.3°
C7	C6	O6	HO6	0.8°	89.9°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C8	C8A	0.3°	0.1°
C6	C7	C8	H8	179.6°	179.9°
C7	C8	C8A	H8	180.0°	179.9°
C7	C8	C8A	C9	179.7°	179.2°
H7	C7	C8	C8A	179.7°	180.0°
H7	C7	C8	H8	0.3°	0.1°
C8	C8A	C9	C9A	179.4°	157.7°
C8	C8A	C9	C1'	0.8°	82.7°
C8	C8A	C9	H9	6.7°	38.0°
H8	C8	C8A	C9	0.3°	0.7°
C8A	C9	C9A	C1'	179.8°	119.6°
C8A	C9	C9A	H9	177.0°	119.7°
C8A	C9	C1'	H9	174.8°	120.7°
C8A	C9	C1'	C2'	171.5°	180.0°
C8A	C9	C1'	H1'1	63.2°	60.1°
C8A	C9	C1'	H1'2	46.3°	59.9°
C9A	C9	C1'	H9	5.4°	120.6°
C9A	C9	C1'	C2'	8.2°	61.3°
C9A	C9	C1'	H1'1	117.0°	178.8°
C9A	C9	C1'	H1'2	133.5°	58.8°
C9	C1'	C2'	H1'1	125.3°	119.9°
C9	C1'	C2'	H1'2	125.3°	120.1°
C9	C1'	H1'1	H1'2	111.1°	120.0°
C9	C1'	C2'	C3'	170.2°	179.9°
C9	C1'	C2'	H2'1	44.9°	60.0°
C9	C1'	C2'	H2'2	64.6°	59.9°
H9	C9	C1'	C2'	13.7°	59.3°
H9	C9	C1'	H1'1	111.6°	60.6°
H9	C9	C1'	H1'2	139.0°	179.4°
C2'	C1'	H1'1	H1'2	111.1°	120.0°
C1'	C2'	C3'	H2'1	125.3°	120.0°
C1'	C2'	C3'	H2'2	125.3°	120.1°
C1'	C2'	H2'1	H2'2	114.6°	120.0°
C1'	C2'	C3'	O1'	133.1°	0.0°
C1'	C2'	C3'	O2'	47.3°	180.0°
H1'1	C1'	C2'	C3'	64.6°	60.0°
H1'1	C1'	C2'	H2'1	170.2°	180.0°
H1'1	C1'	C2'	H2'2	60.7°	60.0°
H1'2	C1'	C2'	C3'	44.9°	60.0°
H1'2	C1'	C2'	H2'1	80.4°	60.0°
H1'2	C1'	C2'	H2'2	170.1°	180.0°
C3'	C2'	H2'1	H2'2	114.5°	120.0°
C2'	C3'	O1'	O2'	179.6°	180.0°
C2'	C3'	O2'	HO2'	179.9°	179.9°
H2'1	C2'	C3'	O1'	101.6°	120.0°
H2'1	C2'	C3'	O2'	78.0°	60.0°
H2'2	C2'	C3'	O1'	7.9°	120.1°
H2'2	C2'	C3'	O2'	172.5°	59.9°
O1'	C3'	O2'	HO2'	0.5°	0.1°

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