HI6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C14	doub	1.21Å	1.21Å
C14	N4	sing	1.35Å	1.33Å
C14	C11	sing	1.48Å	1.50Å
N4	HN41	sing	0.97Å	1.00Å
N4	HN42	sing	0.97Å	1.00Å
C11	C10	sing	1.40Å	1.40Å	Aromatic
C11	C12	doub	1.40Å	1.38Å	Aromatic
C10	C9	doub	1.38Å	1.40Å	Aromatic
C10	H10	sing	1.08Å	1.08Å
C9	N3	sing	1.32Å	1.35Å	Aromatic
C9	H9	sing	1.08Å	1.08Å
N3	C13	doub	1.32Å	1.34Å	Aromatic
N3	C8	sing	1.46Å	1.46Å
C13	C12	sing	1.38Å	1.38Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C8	O2	sing	1.43Å	1.41Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
O2	C7	sing	1.43Å	1.42Å
C7	N2	sing	1.47Å	1.45Å
C7	H71	sing	1.09Å	1.10Å
C7	H72	sing	1.09Å	1.10Å
N2	C2	sing	1.33Å	1.35Å	Aromatic
N2	C6	doub	1.32Å	1.35Å	Aromatic
C2	C1	sing	1.48Å	1.50Å
C2	C3	doub	1.40Å	1.40Å	Aromatic
C1	N1	doub	1.29Å	1.27Å
C1	H1	sing	1.08Å	1.08Å
N1	O1	sing	1.42Å	1.38Å
O1	HO1	sing	0.97Å	0.95Å
C3	C4	sing	1.38Å	1.40Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C4	C5	doub	1.39Å	1.40Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C5	C6	sing	1.38Å	1.39Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C14	N4	121.4°	120.0°
O3	C14	C11	116.4°	120.0°
N4	C14	C11	122.3°	120.0°
C14	N4	HN41	123.6°	120.0°
C14	N4	HN42	112.7°	120.0°
C14	C11	C10	124.4°	121.0°
C14	C11	C12	115.7°	120.9°
HN41	N4	HN42	123.6°	120.0°
C10	C11	C12	119.9°	118.1°
C11	C10	C9	118.7°	119.0°
C11	C10	H10	120.7°	120.4°
C11	C12	C13	119.3°	119.0°
C11	C12	H12	120.4°	120.5°
C9	C10	H10	120.7°	120.5°
C10	C9	N3	119.6°	120.9°
C10	C9	H9	120.2°	119.5°
N3	C9	H9	120.2°	119.6°
C9	N3	C13	122.0°	122.0°
C9	N3	C8	123.3°	119.0°
C13	N3	C8	114.7°	119.0°
N3	C13	C12	120.6°	120.9°
N3	C13	H13	119.7°	119.6°
N3	C8	O2	115.4°	109.5°
N3	C8	H81	106.2°	109.5°
N3	C8	H82	107.5°	109.4°
C12	C13	H13	119.7°	119.5°
C13	C12	H12	120.3°	120.5°
O2	C8	H81	106.2°	109.5°
O2	C8	H82	107.6°	109.4°
C8	O2	C7	107.2°	106.8°
H81	C8	H82	114.2°	109.5°
O2	C7	N2	106.4°	109.4°
O2	C7	H71	111.2°	109.4°
O2	C7	H72	110.5°	109.5°
N2	C7	H71	111.2°	109.5°
N2	C7	H72	110.5°	109.5°
C7	N2	C2	119.4°	119.2°
C7	N2	C6	118.1°	119.2°
H71	C7	H72	107.1°	109.5°
C2	N2	C6	122.5°	121.6°
N2	C2	C1	121.9°	119.7°
N2	C2	C3	119.2°	120.5°
N2	C6	C5	120.3°	120.9°
N2	C6	H6	119.8°	119.6°
C1	C2	C3	118.8°	119.8°
C2	C1	N1	126.6°	120.0°
C2	C1	H1	116.7°	120.0°
C2	C3	C4	119.5°	119.0°
C2	C3	H3	120.2°	120.5°
N1	C1	H1	116.7°	120.0°
C1	N1	O1	118.5°	120.0°
N1	O1	HO1	109.5°	106.8°
C4	C3	H3	120.3°	120.5°
C3	C4	C5	119.5°	118.5°
C3	C4	H4	120.2°	120.7°
C5	C4	H4	120.3°	120.7°
C4	C5	C6	118.9°	119.4°
C4	C5	H5	120.5°	120.3°
C6	C5	H5	120.5°	120.3°
C5	C6	H6	119.9°	119.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C14	N4	C11	179.7°	179.9°
O3	C14	N4	HN41	0.0°	0.0°
O3	C14	N4	HN42	180.0°	179.7°
O3	C14	C11	C10	166.0°	0.1°
O3	C14	C11	C12	13.7°	179.8°
C14	N4	HN41	HN42	180.0°	179.7°
N4	C14	C11	C10	14.2°	180.0°
N4	C14	C11	C12	166.1°	0.3°
C11	C14	N4	HN41	179.8°	180.0°
C11	C14	N4	HN42	0.3°	0.3°
C14	C11	C10	C12	179.7°	179.7°
C14	C11	C10	C9	179.5°	180.0°
C14	C11	C10	H10	0.5°	0.0°
C14	C11	C12	C13	179.1°	179.8°
C14	C11	C12	H12	0.9°	0.3°
C11	C10	C9	H10	180.0°	180.0°
C11	C10	C9	N3	0.6°	0.0°
C11	C10	C9	H9	179.4°	179.9°
C10	C11	C12	C13	0.6°	0.5°
C10	C11	C12	H12	179.3°	180.0°
C12	C11	C10	C9	0.2°	0.2°
C12	C11	C10	H10	179.8°	179.7°
C11	C12	C13	N3	0.2°	0.5°
C11	C12	C13	H12	180.0°	179.5°
C11	C12	C13	H13	179.9°	179.7°
C10	C9	N3	H9	180.0°	179.9°
C10	C9	N3	C13	1.1°	0.1°
C10	C9	N3	C8	177.9°	180.0°
H10	C10	C9	N3	179.4°	180.0°
H10	C10	C9	H9	0.6°	0.1°
C9	N3	C13	C8	177.0°	180.0°
C9	N3	C13	C12	0.7°	0.2°
C9	N3	C13	H13	179.2°	180.0°
C9	N3	C8	O2	42.7°	90.0°
C9	N3	C8	H81	160.1°	150.0°
C9	N3	C8	H82	77.3°	30.0°
H9	C9	N3	C13	178.9°	180.0°
H9	C9	N3	C8	2.1°	0.1°
N3	C13	C12	H13	180.0°	179.8°
N3	C13	C12	H12	179.8°	180.0°
C13	N3	C8	O2	140.3°	90.0°
C13	N3	C8	H81	23.0°	30.0°
C13	N3	C8	H82	99.7°	150.1°
C8	N3	C13	C12	177.7°	179.8°
C8	N3	C13	H13	2.2°	0.0°
N3	C8	O2	H81	117.4°	120.0°
N3	C8	O2	H82	120.0°	120.0°
N3	C8	H81	H82	118.3°	120.0°
N3	C8	O2	C7	144.2°	180.0°
H13	C13	C12	H12	0.2°	0.2°
O2	C8	H81	H82	118.4°	120.0°
C8	O2	C7	N2	113.7°	180.0°
C8	O2	C7	H71	7.5°	60.0°
C8	O2	C7	H72	126.3°	60.0°
H81	C8	O2	C7	26.8°	60.0°
H82	C8	O2	C7	95.8°	60.0°
O2	C7	N2	H71	121.2°	120.0°
O2	C7	N2	H72	120.0°	120.0°
O2	C7	H71	H72	120.8°	120.0°
O2	C7	N2	C2	89.1°	179.7°
O2	C7	N2	C6	89.7°	0.0°
N2	C7	H71	H72	120.8°	120.0°
C7	N2	C2	C6	178.8°	179.7°
C7	N2	C2	C1	0.2°	0.3°
C7	N2	C2	C3	178.0°	179.8°
C7	N2	C6	C5	178.8°	180.0°
C7	N2	C6	H6	1.2°	0.1°
H71	C7	N2	C2	32.1°	59.8°
H71	C7	N2	C6	149.1°	120.0°
H72	C7	N2	C2	150.9°	60.3°
H72	C7	N2	C6	30.3°	120.0°
N2	C2	C1	C3	178.2°	179.5°
N2	C2	C1	N1	64.0°	179.5°
N2	C2	C1	H1	116.0°	0.5°
N2	C2	C3	C4	1.2°	0.5°
N2	C2	C3	H3	178.7°	179.8°
C2	N2	C6	C5	0.0°	0.3°
C2	N2	C6	H6	180.0°	179.8°
C6	N2	C2	C1	178.9°	180.0°
C6	N2	C2	C3	0.8°	0.5°
N2	C6	C5	C4	0.3°	0.1°
N2	C6	C5	H6	180.0°	180.0°
N2	C6	C5	H5	179.7°	180.0°
C2	C1	N1	H1	180.0°	180.0°
C2	C1	N1	O1	179.7°	180.0°
C1	C2	C3	C4	179.4°	180.0°
C1	C2	C3	H3	0.5°	0.2°
C3	C2	C1	N1	117.8°	0.0°
C3	C2	C1	H1	62.2°	180.0°
C2	C3	C4	H3	180.0°	179.7°
C2	C3	C4	C5	0.9°	0.3°
C2	C3	C4	H4	179.1°	179.8°
C1	N1	O1	HO1	147.3°	180.0°
H1	C1	N1	O1	0.3°	0.0°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	C5	C6	0.2°	0.1°
C3	C4	C5	H5	179.8°	180.0°
H3	C3	C4	C5	179.0°	180.0°
H3	C3	C4	H4	1.0°	0.1°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	H6	179.7°	180.0°
H4	C4	C5	C6	179.8°	180.0°
H4	C4	C5	H5	0.2°	0.1°
H5	C5	C6	H6	0.3°	0.0°

Definition date:	2006-05-15
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	2GYU