HLO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C14	doub	1.24Å	1.21Å
C14	N4	sing	1.39Å	1.34Å
C14	C11	sing	1.45Å	1.49Å
N4	H4N1	sing	1.01Å	1.02Å
N4	H4N2	sing	1.01Å	1.02Å
C11	C10	sing	1.39Å	1.40Å	Aromatic
C11	C12	doub	1.39Å	1.38Å	Aromatic
C10	C9	doub	1.39Å	1.39Å	Aromatic
C10	H10	sing	1.09Å	1.10Å
C9	N3	sing	1.34Å	1.33Å	Aromatic
C9	H9	sing	1.08Å	1.10Å
N3	C13	doub	1.34Å	1.35Å	Aromatic
N3	C8	sing	1.46Å	1.45Å
C13	C12	sing	1.39Å	1.39Å	Aromatic
C13	H13	sing	1.08Å	1.10Å
C12	H12	sing	1.08Å	1.10Å
C8	O2	sing	1.43Å	1.42Å
C8	H8C1	sing	1.10Å	1.12Å
C8	H8C2	sing	1.10Å	1.11Å
O2	C7	sing	1.42Å	1.43Å
C7	N2	sing	1.48Å	1.44Å
C7	H7C1	sing	1.10Å	1.12Å
C7	H7C2	sing	1.10Å	1.12Å
N2	C2	sing	1.33Å	1.34Å	Aromatic
N2	C6	doub	1.33Å	1.35Å	Aromatic
C2	C1	sing	1.45Å	1.49Å
C2	C3	doub	1.39Å	1.39Å	Aromatic
C1	N1	doub	1.30Å	1.26Å
C1	H1	sing	1.11Å	1.10Å
N1	O1	sing	1.40Å	1.38Å
O1	HA	sing	0.97Å	0.95Å
C3	C4	sing	1.39Å	1.39Å	Aromatic
C3	H3	sing	1.09Å	1.10Å
C4	C5	doub	1.39Å	1.40Å	Aromatic
C4	C22	sing	1.45Å	1.48Å
C5	C6	sing	1.39Å	1.40Å	Aromatic
C5	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.08Å	1.10Å
C22	N5	doub	1.30Å	1.27Å
C22	H22	sing	1.11Å	1.10Å
N5	O4	sing	1.40Å	1.41Å
O4	H4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C14	N4	121.2°	120.8°
O3	C14	C11	119.7°	121.4°
N4	C14	C11	119.1°	117.8°
C14	N4	H4N1	121.2°	119.2°
C14	N4	H4N2	119.1°	121.5°
C14	C11	C10	120.4°	120.1°
C14	C11	C12	120.2°	120.1°
H4N1	N4	H4N2	119.7°	119.3°
C10	C11	C12	119.4°	119.9°
C11	C10	C9	120.3°	118.8°
C11	C10	H10	120.0°	121.2°
C11	C12	C13	117.9°	118.8°
C11	C12	H12	120.7°	121.3°
C9	C10	H10	119.7°	120.0°
C10	C9	N3	119.3°	120.1°
C10	C9	H9	122.4°	122.8°
N3	C9	H9	118.3°	117.2°
C9	N3	C13	121.5°	122.4°
C9	N3	C8	120.0°	118.8°
C13	N3	C8	118.6°	118.8°
N3	C13	C12	121.7°	120.1°
N3	C13	H13	117.5°	117.1°
N3	C8	O2	113.4°	111.9°
N3	C8	H8C1	110.8°	110.5°
N3	C8	H8C2	110.8°	106.0°
C12	C13	H13	120.9°	122.8°
C13	C12	H12	121.4°	119.9°
O2	C8	H8C1	110.8°	111.7°
O2	C8	H8C2	110.8°	108.3°
C8	O2	C7	109.2°	114.1°
H8C1	C8	H8C2	99.5°	108.1°
O2	C7	N2	105.0°	112.0°
O2	C7	H7C1	113.9°	111.7°
O2	C7	H7C2	113.9°	108.3°
N2	C7	H7C1	113.9°	110.6°
N2	C7	H7C2	113.9°	106.0°
C7	N2	C2	118.6°	119.6°
C7	N2	C6	119.0°	117.1°
H7C1	C7	H7C2	96.6°	107.9°
C2	N2	C6	122.3°	123.3°
N2	C2	C1	123.2°	119.8°
N2	C2	C3	119.4°	119.6°
N2	C6	C5	120.2°	119.6°
N2	C6	H6	118.0°	117.7°
C1	C2	C3	117.4°	120.6°
C2	C1	N1	123.2°	123.0°
C2	C1	H1	127.0°	117.7°
C2	C3	C4	120.5°	118.8°
C2	C3	H3	119.9°	120.6°
N1	C1	H1	109.8°	119.3°
C1	N1	O1	118.7°	109.3°
N1	O1	HA	118.7°	101.6°
C4	C3	H3	119.7°	120.6°
C3	C4	C5	118.9°	119.9°
C3	C4	C22	118.3°	120.1°
C5	C4	C22	122.8°	120.0°
C4	C5	C6	118.8°	118.8°
C4	C5	H5	120.6°	121.2°
C4	C22	N5	117.7°	123.0°
C4	C22	H22	128.4°	117.6°
C6	C5	H5	120.7°	120.0°
C5	C6	H6	121.8°	122.7°
N5	C22	H22	113.9°	119.4°
C22	N5	O4	123.3°	109.3°
N5	O4	H4	123.3°	101.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C14	N4	C11	178.7°	179.1°
O3	C14	N4	H4N1	180.0°	179.1°
O3	C14	N4	H4N2	1.3°	0.9°
O3	C14	C11	C10	178.7°	179.2°
O3	C14	C11	C12	0.2°	0.9°
C14	N4	H4N1	H4N2	178.7°	180.0°
N4	C14	C11	C10	0.0°	0.0°
N4	C14	C11	C12	178.9°	180.0°
C11	C14	N4	H4N1	1.3°	0.0°
C11	C14	N4	H4N2	180.0°	180.0°
C14	C11	C10	C12	178.9°	180.0°
C14	C11	C10	C9	179.1°	180.0°
C14	C11	C10	H10	0.9°	0.0°
C14	C11	C12	C13	179.1°	180.0°
C14	C11	C12	H12	0.9°	0.0°
C11	C10	C9	H10	180.0°	179.9°
C11	C10	C9	N3	0.2°	0.1°
C11	C10	C9	H9	179.8°	180.0°
C10	C11	C12	C13	0.2°	0.0°
C10	C11	C12	H12	179.8°	180.0°
C12	C11	C10	C9	0.2°	0.1°
C12	C11	C10	H10	179.8°	180.0°
C11	C12	C13	N3	0.2°	0.0°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	H13	179.7°	180.0°
C10	C9	N3	H9	180.0°	180.0°
C10	C9	N3	C13	0.2°	0.0°
C10	C9	N3	C8	179.0°	180.0°
H10	C10	C9	N3	179.8°	180.0°
H10	C10	C9	H9	0.2°	0.0°
C9	N3	C13	C8	178.8°	180.0°
C9	N3	C13	C12	0.2°	0.0°
C9	N3	C13	H13	179.7°	180.0°
C9	N3	C8	O2	57.0°	90.0°
C9	N3	C8	H8C1	177.7°	144.8°
C9	N3	C8	H8C2	68.3°	27.9°
H9	C9	N3	C13	179.8°	180.0°
H9	C9	N3	C8	0.9°	0.0°
N3	C13	C12	H13	180.0°	179.9°
N3	C13	C12	H12	179.8°	180.0°
C13	N3	C8	O2	124.1°	90.0°
C13	N3	C8	H8C1	1.1°	35.2°
C13	N3	C8	H8C2	110.6°	152.1°
C8	N3	C13	C12	179.1°	180.0°
C8	N3	C13	H13	0.9°	0.1°
N3	C8	O2	H8C1	125.3°	124.6°
N3	C8	O2	H8C2	125.3°	116.5°
N3	C8	H8C1	H8C2	116.6°	115.6°
N3	C8	O2	C7	146.9°	175.4°
H13	C13	C12	H12	0.2°	0.0°
O2	C8	H8C1	H8C2	116.6°	119.1°
C8	O2	C7	N2	120.8°	175.3°
C8	O2	C7	H7C1	4.5°	60.0°
C8	O2	C7	H7C2	113.9°	58.8°
H8C1	C8	O2	C7	21.6°	60.0°
H8C2	C8	O2	C7	87.9°	58.9°
O2	C7	N2	H7C1	125.3°	125.3°
O2	C7	N2	H7C2	125.3°	118.0°
O2	C7	H7C1	H7C2	119.8°	119.0°
O2	C7	N2	C2	79.2°	90.0°
O2	C7	N2	C6	97.9°	90.0°
N2	C7	H7C1	H7C2	119.8°	115.5°
C7	N2	C2	C6	177.0°	180.0°
C7	N2	C2	C1	1.8°	0.0°
C7	N2	C2	C3	178.0°	180.0°
C7	N2	C6	C5	178.2°	180.0°
C7	N2	C6	H6	1.7°	0.0°
H7C1	C7	N2	C2	46.1°	35.3°
H7C1	C7	N2	C6	136.8°	144.8°
H7C2	C7	N2	C2	155.6°	152.0°
H7C2	C7	N2	C6	27.3°	28.0°
N2	C2	C1	C3	179.7°	179.9°
N2	C2	C1	N1	92.1°	149.9°
N2	C2	C1	H1	87.9°	30.0°
N2	C2	C3	C4	0.2°	0.1°
N2	C2	C3	H3	179.8°	180.0°
C2	N2	C6	C5	1.3°	0.0°
C2	N2	C6	H6	178.7°	180.0°
C6	N2	C2	C1	178.7°	180.0°
C6	N2	C2	C3	1.0°	0.1°
N2	C6	C5	C4	0.4°	0.0°
N2	C6	C5	H6	180.0°	180.0°
N2	C6	C5	H5	179.6°	179.9°
C2	C1	N1	H1	180.0°	179.9°
C2	C1	N1	O1	178.6°	180.0°
C1	C2	C3	C4	180.0°	180.0°
C1	C2	C3	H3	0.1°	0.1°
C3	C2	C1	N1	88.2°	30.0°
C3	C2	C1	H1	91.9°	150.0°
C2	C3	C4	H3	180.0°	179.9°
C2	C3	C4	C5	1.1°	0.0°
C2	C3	C4	C22	179.7°	179.9°
C1	N1	O1	HA	180.0°	179.7°
H1	C1	N1	O1	1.4°	0.0°
C3	C4	C5	C22	178.6°	180.0°
C3	C4	C5	C6	0.8°	0.0°
C3	C4	C5	H5	179.2°	180.0°
C3	C4	C22	N5	59.2°	0.1°
C3	C4	C22	H22	120.8°	180.0°
H3	C3	C4	C5	179.0°	179.9°
H3	C3	C4	C22	0.3°	0.0°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	H6	179.6°	180.0°
C5	C4	C22	N5	119.4°	179.9°
C5	C4	C22	H22	60.6°	0.1°
C22	C4	C5	C6	179.4°	180.0°
C22	C4	C5	H5	0.6°	0.1°
C4	C22	N5	H22	180.0°	180.0°
C4	C22	N5	O4	179.8°	180.0°
H5	C5	C6	H6	0.4°	0.0°
C22	N5	O4	H4	180.0°	179.7°
H22	C22	N5	O4	0.1°	0.0°

Definition date:	2007-01-25
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB