HN6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O8	C8	sing	1.43Å	1.43Å
C8	C8A	sing	1.52Å	1.53Å
C8	C7	sing	1.54Å	1.54Å
C8A	N4	sing	1.49Å	1.49Å
C8A	C1	sing	1.54Å	1.52Å
N4	C3	sing	1.46Å	1.48Å
N4	C5	sing	1.46Å	1.50Å
C3	C2	sing	1.55Å	1.55Å
C2	O2	sing	1.43Å	1.44Å
C2	C1	sing	1.55Å	1.55Å
C1	O1	sing	1.43Å	1.45Å
C7	C6	sing	1.53Å	1.54Å
C6	C5	sing	1.54Å	1.54Å
C5	C9	sing	1.53Å	1.54Å
C9	C10	sing	1.53Å	1.53Å
C10	C11	sing	1.51Å	1.52Å
C11	C16	doub	1.38Å	1.40Å	Aromatic
C11	C12	sing	1.38Å	1.39Å	Aromatic
C16	C15	sing	1.38Å	1.40Å	Aromatic
C15	C14	doub	1.38Å	1.40Å	Aromatic
C14	C17	sing	1.51Å	1.52Å
C14	C13	sing	1.38Å	1.51Å	Aromatic
C17	C20	sing	1.53Å	1.53Å
C17	C19	sing	1.53Å	1.53Å
C17	C18	sing	1.53Å	1.53Å
C13	C12	doub	1.38Å	1.46Å	Aromatic
O8	HO8	sing	0.97Å	0.95Å
C8	H8	sing	1.09Å	1.10Å
C8A	H8A	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å
C1	H1	sing	1.09Å	1.10Å
O1	HO1	sing	0.97Å	0.95Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C9	H9A	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H10A	sing	1.09Å	1.10Å
C16	H16	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C20	H20	sing	1.09Å	1.10Å
C20	H20A	sing	1.09Å	1.10Å
C20	H20B	sing	1.09Å	1.10Å
C19	H19	sing	1.09Å	1.10Å
C19	H19A	sing	1.09Å	1.10Å
C19	H19B	sing	1.09Å	1.10Å
C18	H18	sing	1.09Å	1.10Å
C18	H18A	sing	1.09Å	1.10Å
C18	H18B	sing	1.09Å	1.10Å
C13	H13	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O8	C8	C8A	109.0°	109.8°
O8	C8	C7	109.4°	109.8°
C8	O8	HO8	109.5°	114.0°
O8	C8	H8	109.9°	109.8°
C8A	C8	C7	109.6°	107.6°
C8	C8A	N4	110.5°	107.3°
C8	C8A	C1	117.9°	113.2°
C8A	C8	H8	109.7°	109.8°
C8	C8A	H8A	101.5°	110.9°
C8	C7	C6	112.9°	110.6°
C7	C8	H8	109.3°	109.9°
C8	C7	H7	108.4°	109.3°
C8	C7	H7A	107.6°	109.2°
N4	C8A	C1	105.6°	102.3°
C8A	N4	C3	102.8°	105.4°
C8A	N4	C5	112.1°	109.7°
N4	C8A	H8A	114.8°	111.2°
C8A	C1	C2	102.8°	102.1°
C8A	C1	O1	112.6°	110.9°
C1	C8A	H8A	106.8°	111.5°
C8A	C1	H1	112.5°	111.0°
C3	N4	C5	115.6°	117.2°
N4	C3	C2	103.6°	106.0°
N4	C3	H3	111.5°	110.2°
N4	C3	H3A	112.8°	110.1°
N4	C5	C6	107.3°	107.8°
N4	C5	C9	110.9°	109.7°
N4	C5	H5	111.2°	109.8°
C3	C2	O2	109.1°	110.4°
C3	C2	C1	106.5°	105.0°
C2	C3	H3	111.5°	110.2°
C2	C3	H3A	112.7°	110.1°
C3	C2	H2	113.0°	110.3°
O2	C2	C1	113.0°	110.3°
O2	C2	H2	106.4°	110.4°
C2	O2	HO2	109.5°	114.0°
C2	C1	O1	111.2°	110.9°
C1	C2	H2	109.0°	110.3°
C2	C1	H1	113.8°	110.9°
O1	C1	H1	104.3°	110.8°
C1	O1	HO1	109.5°	114.0°
C7	C6	C5	111.1°	110.7°
C6	C7	H7	108.4°	109.3°
C6	C7	H7A	107.6°	109.2°
C7	C6	H6	108.9°	109.2°
C7	C6	H6A	108.6°	109.3°
C6	C5	C9	112.8°	109.8°
C5	C6	H6	108.9°	109.2°
C5	C6	H6A	108.5°	109.2°
C6	C5	H5	109.1°	109.8°
C5	C9	C10	116.7°	109.5°
C9	C5	H5	105.5°	109.8°
C5	C9	H9	107.1°	109.5°
C5	C9	H9A	105.4°	109.5°
C9	C10	C11	113.4°	109.5°
C10	C9	H9	107.1°	109.4°
C10	C9	H9A	105.5°	109.4°
C9	C10	H10	108.2°	109.4°
C9	C10	H10A	107.3°	109.5°
C10	C11	C16	121.7°	120.0°
C10	C11	C12	117.5°	120.0°
C11	C10	H10	108.2°	109.5°
C11	C10	H10A	107.3°	109.5°
C16	C11	C12	120.7°	120.0°
C11	C16	C15	120.1°	120.0°
C11	C16	H16	119.9°	120.0°
C11	C12	C13	122.6°	120.0°
C11	C12	H12	118.7°	120.0°
C16	C15	C14	122.3°	120.0°
C15	C16	H16	120.0°	120.0°
C16	C15	H15	118.9°	120.0°
C15	C14	C17	122.3°	120.0°
C15	C14	C13	119.2°	120.0°
C14	C15	H15	118.9°	120.0°
C17	C14	C13	118.4°	120.0°
C14	C17	C20	109.2°	109.5°
C14	C17	C19	111.6°	109.5°
C14	C17	C18	109.8°	109.4°
C14	C13	C12	115.0°	120.0°
C14	C13	H13	122.5°	120.0°
C20	C17	C19	107.9°	109.5°
C20	C17	C18	109.1°	109.5°
C17	C20	H20	109.5°	109.5°
C17	C20	H20A	109.5°	109.5°
C17	C20	H20B	109.5°	109.5°
C19	C17	C18	109.2°	109.5°
C17	C19	H19	109.5°	109.5°
C17	C19	H19A	109.5°	109.5°
C17	C19	H19B	109.4°	109.5°
C17	C18	H18	109.5°	109.5°
C17	C18	H18A	109.5°	109.5°
C17	C18	H18B	109.4°	109.5°
C12	C13	H13	122.5°	120.0°
C13	C12	H12	118.7°	120.0°
H3	C3	H3A	105.0°	110.2°
H7	C7	H7A	112.2°	109.3°
H6	C6	H6A	110.8°	109.2°
H9	C9	H9A	115.3°	109.5°
H10	C10	H10A	112.6°	109.4°
H20	C20	H20A	109.5°	109.4°
H20	C20	H20B	109.4°	109.5°
H20A	C20	H20B	109.5°	109.5°
H19	C19	H19A	109.5°	109.4°
H19	C19	H19B	109.4°	109.5°
H19A	C19	H19B	109.5°	109.5°
H18	C18	H18A	109.4°	109.5°
H18	C18	H18B	109.4°	109.5°
H18A	C18	H18B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O8	C8	C8A	C7	119.6°	119.5°
O8	C8	C8A	H8	120.4°	120.9°
O8	C8	C7	H8	120.4°	120.9°
O8	C8	C8A	N4	174.2°	177.7°
O8	C8	C8A	C1	64.2°	65.5°
O8	C8	C7	C6	170.4°	175.9°
O8	C8	C8A	H8A	52.0°	60.7°
O8	C8	C7	H7	50.4°	55.6°
O8	C8	C7	H7A	71.0°	63.8°
C8A	C8	C7	H8	120.3°	119.6°
C8	C8A	N4	C1	128.6°	119.4°
C8	C8A	N4	H8A	114.1°	121.4°
C8	C8A	C1	H8A	113.3°	125.9°
C8	C8A	N4	C3	172.4°	163.3°
C8	C8A	N4	C5	62.8°	69.6°
C8	C8A	C1	C2	153.1°	155.1°
C8	C8A	C1	O1	33.4°	36.9°
C8A	C8	C7	C6	51.1°	56.4°
C8A	C8	O8	HO8	20.2°	180.0°
C8	C8A	C1	H1	84.0°	86.7°
C8A	C8	C7	H7	68.9°	63.9°
C8A	C8	C7	H7A	169.6°	176.7°
C7	C8	C8A	N4	54.5°	62.8°
C7	C8	C8A	C1	176.2°	175.0°
C8	C7	C6	H7	120.0°	120.3°
C8	C7	C6	H7A	118.5°	120.2°
C8	C7	C6	C5	53.6°	53.9°
C7	C8	O8	HO8	99.5°	61.9°
C7	C8	C8A	H8A	67.6°	58.7°
C8	C7	H7	H7A	118.6°	119.5°
C8	C7	C6	H6	173.5°	174.2°
C8	C7	C6	H6A	65.7°	66.4°
N4	C8A	C1	H8A	122.6°	118.9°
C8A	N4	C3	C5	122.4°	122.4°
C8A	N4	C3	C2	39.7°	29.5°
N4	C8A	C1	C2	29.0°	39.9°
N4	C8A	C1	O1	90.7°	78.2°
C8A	N4	C5	C6	62.7°	65.4°
C8A	N4	C5	C9	173.7°	175.1°
N4	C8A	C8	H8	65.5°	56.8°
C8A	N4	C3	H3	80.3°	89.6°
C8A	N4	C3	H3A	161.8°	148.6°
N4	C8A	C1	H1	151.9°	158.1°
C8A	N4	C5	H5	56.6°	54.3°
C1	C8A	N4	C3	43.8°	43.9°
C1	C8A	N4	C5	168.5°	171.0°
C8A	C1	C2	C3	4.2°	22.1°
C8A	C1	C2	O2	124.0°	141.0°
C8A	C1	C2	O1	120.6°	118.2°
C8A	C1	C2	H1	121.9°	118.3°
C8A	C1	O1	H1	122.2°	123.8°
C1	C8A	C8	H8	56.2°	55.4°
C8A	C1	C2	H2	117.9°	96.7°
C8A	C1	O1	HO1	21.7°	179.9°
N4	C3	C2	H3	120.0°	119.2°
N4	C3	C2	H3A	122.2°	119.1°
N4	C3	C2	O2	100.5°	115.2°
N4	C3	C2	C1	21.8°	3.7°
C3	N4	C5	C6	180.0°	174.5°
C3	N4	C5	C9	56.4°	54.9°
C3	N4	C8A	H8A	73.5°	75.3°
N4	C3	H3	H3A	122.4°	121.7°
N4	C3	C2	H2	141.4°	122.6°
C3	N4	C5	H5	60.7°	65.9°
C5	N4	C3	C2	162.1°	151.9°
N4	C5	C6	C7	56.9°	57.2°
N4	C5	C6	C9	122.4°	119.5°
N4	C5	C6	H5	120.6°	119.6°
N4	C5	C9	H5	120.5°	120.8°
N4	C5	C9	C10	179.3°	174.5°
C5	N4	C8A	H8A	51.2°	51.8°
C5	N4	C3	H3	42.1°	32.8°
C5	N4	C3	H3A	75.7°	89.0°
N4	C5	C6	H6	176.9°	177.5°
N4	C5	C6	H6A	62.4°	63.2°
N4	C5	C9	H9	59.3°	65.6°
N4	C5	C9	H9A	64.1°	54.5°
C3	C2	O2	C1	118.2°	115.6°
C3	C2	O2	H2	122.1°	122.2°
C3	C2	C1	H2	122.2°	118.9°
C3	C2	C1	O1	116.4°	96.0°
C2	C3	H3	H3A	122.4°	121.7°
C3	C2	O2	HO2	97.8°	61.5°
C3	C2	C1	H1	126.2°	140.4°
O2	C2	C1	H2	118.1°	122.2°
O2	C2	C1	O1	3.4°	22.9°
O2	C2	C3	H3	139.5°	125.7°
O2	C2	C3	H3A	21.7°	3.9°
O2	C2	C1	H1	114.1°	100.7°
C2	C1	O1	H1	123.1°	123.6°
C2	C1	C8A	H8A	93.6°	79.0°
C1	C2	C3	H3	98.2°	115.5°
C1	C2	C3	H3A	144.0°	122.8°
C1	C2	O2	HO2	20.4°	177.0°
C2	C1	O1	HO1	136.3°	67.3°
O1	C1	C8A	H8A	146.8°	162.8°
O1	C1	C2	H2	121.4°	145.1°
C7	C6	C5	H6	120.0°	120.3°
C7	C6	C5	H6A	119.3°	120.4°
C7	C6	C5	C9	179.3°	176.7°
C6	C7	C8	H8	69.2°	63.1°
C6	C7	H7	H7A	118.6°	119.5°
C7	C6	H6	H6A	119.4°	119.5°
C7	C6	C5	H5	63.7°	62.4°
C6	C5	C9	H5	119.1°	120.9°
C6	C5	C9	C10	58.9°	67.2°
C5	C6	C7	H7	66.4°	66.4°
C5	C6	C7	H7A	172.1°	174.2°
C5	C6	H6	H6A	119.3°	119.4°
C6	C5	C9	H9	61.1°	52.8°
C6	C5	C9	H9A	175.5°	172.9°
C5	C9	C10	H9	120.0°	120.0°
C5	C9	C10	H9A	116.6°	120.0°
C5	C9	C10	C11	74.8°	174.9°
C9	C5	C6	H6	60.7°	63.0°
C9	C5	C6	H6A	60.0°	56.3°
C5	C9	H9	H9A	117.0°	120.1°
C5	C9	C10	H10	45.1°	54.8°
C5	C9	C10	H10A	166.9°	65.1°
C9	C10	C11	H10	120.0°	120.0°
C9	C10	C11	H10A	118.3°	120.0°
C9	C10	C11	C16	67.2°	90.0°
C9	C10	C11	C12	114.8°	90.3°
C10	C9	C5	H5	60.2°	53.7°
C10	C9	H9	H9A	117.0°	120.0°
C9	C10	H10	H10A	118.4°	119.9°
C10	C11	C16	C12	178.0°	179.7°
C10	C11	C16	C15	179.6°	180.0°
C10	C11	C12	C13	179.2°	179.8°
C11	C10	C9	H9	165.2°	65.2°
C11	C10	C9	H9A	41.8°	54.8°
C11	C10	H10	H10A	118.4°	120.0°
C10	C11	C16	H16	0.4°	0.1°
C10	C11	C12	H12	0.8°	0.0°
C11	C16	C15	H16	180.0°	179.9°
C11	C16	C15	C14	1.0°	0.0°
C16	C11	C12	C13	1.2°	0.5°
C16	C11	C10	H10	172.8°	30.0°
C16	C11	C10	H10A	51.1°	150.0°
C11	C16	C15	H15	179.0°	180.0°
C16	C11	C12	H12	178.8°	179.8°
C12	C11	C16	C15	1.6°	0.2°
C11	C12	C13	C14	0.2°	0.4°
C11	C12	C13	H12	180.0°	179.8°
C12	C11	C10	H10	5.2°	149.7°
C12	C11	C10	H10A	126.9°	29.7°
C12	C11	C16	H16	178.4°	179.7°
C11	C12	C13	H13	179.8°	179.8°
C16	C15	C14	H15	180.0°	179.9°
C16	C15	C14	C17	179.6°	180.0°
C16	C15	C14	C13	0.1°	0.1°
C15	C14	C17	C13	179.5°	180.0°
C15	C14	C17	C20	120.7°	60.0°
C15	C14	C17	C19	1.5°	180.0°
C15	C14	C17	C18	119.7°	60.0°
C15	C14	C13	C12	0.4°	0.2°
C14	C15	C16	H16	178.9°	180.0°
C15	C14	C13	H13	179.6°	180.0°
C14	C17	C20	C19	121.5°	120.0°
C14	C17	C20	C18	120.0°	120.0°
C14	C17	C19	C18	121.6°	120.0°
C17	C14	C13	C12	179.2°	179.8°
C17	C14	C15	H15	0.4°	0.1°
C14	C17	C20	H20	140.6°	60.0°
C14	C17	C20	H20A	20.6°	180.0°
C14	C17	C20	H20B	99.4°	60.0°
C14	C17	C19	H19	52.0°	60.0°
C14	C17	C19	H19A	172.0°	180.0°
C14	C17	C19	H19B	68.0°	60.0°
C14	C17	C18	H18	121.8°	60.0°
C14	C17	C18	H18A	118.3°	180.0°
C14	C17	C18	H18B	1.8°	60.0°
C17	C14	C13	H13	0.8°	0.0°
C13	C14	C17	C20	58.8°	120.0°
C13	C14	C17	C19	178.0°	0.0°
C13	C14	C17	C18	60.8°	120.0°
C14	C13	C12	H13	180.0°	179.8°
C13	C14	C15	H15	180.0°	180.0°
C14	C13	C12	H12	179.8°	179.8°
C20	C17	C19	C18	118.4°	120.0°
C17	C20	H20	H20A	120.0°	120.0°
C17	C20	H20	H20B	120.0°	120.0°
C17	C20	H20A	H20B	120.0°	120.0°
C20	C17	C19	H19	68.0°	180.0°
C20	C17	C19	H19A	52.0°	60.0°
C20	C17	C19	H19B	172.0°	60.0°
C20	C17	C18	H18	118.6°	60.0°
C20	C17	C18	H18A	1.4°	60.0°
C20	C17	C18	H18B	121.4°	180.0°
C19	C17	C20	H20	19.1°	60.0°
C19	C17	C20	H20A	100.9°	60.0°
C19	C17	C20	H20B	139.1°	180.0°
C17	C19	H19	H19A	120.0°	120.0°
C17	C19	H19	H19B	119.9°	120.0°
C17	C19	H19A	H19B	120.0°	120.0°
C19	C17	C18	H18	0.9°	180.0°
C19	C17	C18	H18A	119.1°	60.0°
C19	C17	C18	H18B	120.9°	60.0°
C18	C17	C20	H20	99.4°	180.0°
C18	C17	C20	H20A	140.6°	60.0°
C18	C17	C20	H20B	20.6°	60.0°
C18	C17	C19	H19	173.5°	60.0°
C18	C17	C19	H19A	66.4°	60.0°
C18	C17	C19	H19B	53.6°	180.0°
C17	C18	H18	H18A	120.0°	120.0°
C17	C18	H18	H18B	120.0°	120.0°
C17	C18	H18A	H18B	120.0°	120.0°
HO8	O8	C8	H8	140.5°	59.1°
H8	C8	C8A	H8A	172.3°	178.4°
H8	C8	C7	H7	170.8°	176.6°
H8	C8	C7	H7A	49.3°	57.1°
H8A	C8A	C1	H1	29.3°	39.2°
H3	C3	C2	H2	21.4°	3.4°
H3A	C3	C2	H2	96.4°	118.3°
H2	C2	O2	HO2	140.0°	60.7°
H2	C2	C1	H1	4.0°	21.5°
H1	C1	O1	HO1	100.6°	56.3°
H7	C7	C6	H6	53.5°	53.9°
H7	C7	C6	H6A	174.3°	173.3°
H7A	C7	C6	H6	67.9°	65.6°
H7A	C7	C6	H6A	52.8°	53.8°
H6	C6	C5	H5	56.3°	57.8°
H6A	C6	C5	H5	177.0°	177.2°
H5	C5	C9	H9	179.8°	173.6°
H5	C5	C9	H9A	56.5°	66.3°
H9	C9	C10	H10	74.8°	174.8°
H9	C9	C10	H10A	46.9°	54.9°
H9A	C9	C10	H10	161.8°	65.2°
H9A	C9	C10	H10A	76.5°	174.9°
H16	C16	C15	H15	1.0°	0.1°
H20	C20	H20A	H20B	120.0°	120.0°
H19	C19	H19A	H19B	120.0°	120.0°
H18	C18	H18A	H18B	120.0°	120.0°
H13	C13	C12	H12	0.2°	0.0°

Definition date:	2008-09-25
Last modified:	2021-03-13
Release status:	REL
Processing site:	RCSB
Derived from:	3EJT