HN3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O10	C10	doub	1.21Å	1.23Å
C10	C11	sing	1.47Å	1.52Å
C10	C9	sing	1.51Å	1.52Å
C11	C16	doub	1.40Å	1.40Å	Aromatic
C11	C12	sing	1.40Å	1.40Å	Aromatic
C16	C15	sing	1.38Å	1.41Å	Aromatic
C15	C14	doub	1.38Å	1.40Å	Aromatic
C14	C17	sing	1.51Å	1.52Å
C14	C13	sing	1.38Å	1.39Å	Aromatic
C13	C12	doub	1.38Å	1.41Å	Aromatic
C9	C5	sing	1.53Å	1.54Å
C5	C6	sing	1.54Å	1.54Å
C5	N4	sing	1.46Å	1.49Å
C6	C7	sing	1.53Å	1.54Å
C7	C8	sing	1.54Å	1.53Å
C8	O8	sing	1.43Å	1.42Å
C8	C8A	sing	1.52Å	1.53Å
C8A	C1	sing	1.53Å	1.53Å
C8A	N4	sing	1.49Å	1.48Å
C1	O1	sing	1.43Å	1.45Å
C1	C2	sing	1.55Å	1.53Å
N4	C3	sing	1.47Å	1.49Å
C3	C2	sing	1.55Å	1.54Å
C2	O2	sing	1.43Å	1.43Å
C16	H16	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C17	H17	sing	1.09Å	1.10Å
C17	H17A	sing	1.09Å	1.10Å
C17	H17B	sing	1.09Å	1.10Å
C13	H13	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C9	H9	sing	1.09Å	1.10Å
C9	H9A	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
O8	HO8	sing	0.97Å	0.95Å
C8A	H8A	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
O1	HO1	sing	0.97Å	0.95Å
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

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O10	C10	C11	119.8°	120.0°
O10	C10	C9	121.3°	120.0°
C11	C10	C9	118.9°	120.0°
C10	C11	C16	119.8°	120.2°
C10	C11	C12	121.4°	120.2°
C10	C9	C5	114.3°	109.4°
C10	C9	H9	107.9°	109.4°
C10	C9	H9A	106.8°	109.5°
C16	C11	C12	118.8°	119.7°
C11	C16	C15	120.7°	119.8°
C11	C16	H16	119.7°	120.1°
C11	C12	C13	120.6°	119.9°
C11	C12	H12	119.7°	120.1°
C16	C15	C14	120.1°	120.2°
C15	C16	H16	119.7°	120.1°
C16	C15	H15	119.9°	119.9°
C15	C14	C17	121.3°	119.8°
C15	C14	C13	119.5°	120.4°
C14	C15	H15	119.9°	119.9°
C17	C14	C13	119.2°	119.8°
C14	C17	H17	109.5°	109.5°
C14	C17	H17A	109.4°	109.4°
C14	C17	H17B	109.5°	109.5°
C14	C13	C12	120.4°	120.1°
C14	C13	H13	119.8°	119.9°
C12	C13	H13	119.8°	120.0°
C13	C12	H12	119.7°	120.0°
C9	C5	C6	111.9°	109.8°
C9	C5	N4	115.4°	109.8°
C5	C9	H9	107.9°	109.5°
C5	C9	H9A	106.8°	109.5°
C9	C5	H5	102.7°	109.8°
C6	C5	N4	107.1°	107.8°
C5	C6	C7	111.0°	110.7°
C6	C5	H5	111.8°	109.8°
C5	C6	H6	109.0°	109.2°
C5	C6	H6A	108.6°	109.2°
C5	N4	C8A	115.4°	109.3°
C5	N4	C3	116.7°	116.5°
N4	C5	H5	107.9°	109.9°
C6	C7	C8	110.6°	110.6°
C7	C6	H6	108.9°	109.2°
C7	C6	H6A	108.6°	109.2°
C6	C7	H7	109.1°	109.3°
C6	C7	H7A	108.8°	109.2°
C7	C8	O8	109.4°	109.8°
C7	C8	C8A	110.6°	107.5°
C8	C7	H7	109.1°	109.2°
C8	C7	H7A	108.9°	109.2°
C7	C8	H8	108.5°	109.8°
O8	C8	C8A	108.6°	109.9°
O8	C8	H8	110.4°	109.9°
C8	O8	HO8	109.5°	114.0°
C8	C8A	C1	117.2°	113.8°
C8	C8A	N4	109.9°	107.6°
C8A	C8	H8	109.3°	109.9°
C8	C8A	H8A	102.1°	110.3°
C1	C8A	N4	103.2°	103.7°
C8A	C1	O1	114.0°	110.5°
C8A	C1	C2	102.6°	104.2°
C1	C8A	H8A	108.8°	110.3°
C8A	C1	H1	111.2°	110.5°
C8A	N4	C3	102.8°	103.7°
N4	C8A	H8A	116.3°	111.0°
O1	C1	C2	109.7°	110.5°
O1	C1	H1	104.3°	110.4°
C1	O1	HO1	109.5°	114.0°
C1	C2	C3	106.7°	104.9°
C1	C2	O2	110.1°	110.3°
C2	C1	H1	115.4°	110.5°
C1	C2	H2	110.9°	110.4°
N4	C3	C2	102.6°	103.5°
N4	C3	H3	111.9°	110.7°
N4	C3	H3A	113.3°	110.6°
C3	C2	O2	109.4°	110.4°
C2	C3	H3	111.8°	110.6°
C2	C3	H3A	113.3°	110.6°
C3	C2	H2	111.5°	110.4°
O2	C2	H2	108.2°	110.4°
C2	O2	HO2	109.5°	113.9°
H17	C17	H17A	109.5°	109.5°
H17	C17	H17B	109.4°	109.5°
H17A	C17	H17B	109.5°	109.5°
H9	C9	H9A	113.3°	109.5°
H6	C6	H6A	110.7°	109.3°
H7	C7	H7A	110.3°	109.3°
H3	C3	H3A	104.3°	110.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O10	C10	C11	C9	179.9°	179.7°
O10	C10	C11	C16	2.2°	0.0°
O10	C10	C11	C12	177.2°	179.7°
O10	C10	C9	C5	7.4°	5.6°
O10	C10	C9	H9	112.6°	125.6°
O10	C10	C9	H9A	125.2°	114.4°
C10	C11	C16	C12	179.4°	179.7°
C10	C11	C16	C15	179.6°	180.0°
C10	C11	C12	C13	179.6°	179.7°
C11	C10	C9	C5	172.8°	174.7°
C10	C11	C16	H16	0.4°	0.0°
C10	C11	C12	H12	0.4°	0.0°
C11	C10	C9	H9	67.2°	54.7°
C11	C10	C9	H9A	54.9°	65.3°
C9	C10	C11	C16	177.7°	179.7°
C9	C10	C11	C12	2.9°	0.0°
C10	C9	C5	H9	120.0°	120.0°
C10	C9	C5	H9A	117.9°	120.0°
C10	C9	C5	C6	69.9°	66.5°
C10	C9	C5	N4	167.3°	175.2°
C10	C9	H9	H9A	118.0°	120.0°
C10	C9	C5	H5	50.1°	54.3°
C11	C16	C15	H16	180.0°	179.9°
C11	C16	C15	C14	1.0°	0.1°
C16	C11	C12	C13	1.0°	0.6°
C11	C16	C15	H15	179.0°	180.0°
C16	C11	C12	H12	179.0°	179.7°
C12	C11	C16	C15	0.2°	0.3°
C11	C12	C13	C14	0.5°	0.6°
C11	C12	C13	H12	180.0°	179.7°
C12	C11	C16	H16	179.8°	179.8°
C11	C12	C13	H13	179.5°	179.7°
C16	C15	C14	H15	180.0°	179.9°
C16	C15	C14	C17	180.0°	180.0°
C16	C15	C14	C13	1.5°	0.1°
C15	C14	C17	C13	178.5°	179.9°
C15	C14	C13	C12	0.8°	0.3°
C14	C15	C16	H16	178.9°	180.0°
C15	C14	C17	H17	131.2°	90.1°
C15	C14	C17	H17A	108.8°	150.0°
C15	C14	C17	H17B	11.2°	29.9°
C15	C14	C13	H13	179.2°	180.0°
C17	C14	C13	C12	179.3°	179.7°
C17	C14	C15	H15	0.0°	0.1°
C14	C17	H17	H17A	120.0°	119.9°
C14	C17	H17	H17B	120.0°	120.0°
C14	C17	H17A	H17B	120.0°	120.0°
C17	C14	C13	H13	0.7°	0.0°
C14	C13	C12	H13	180.0°	179.7°
C13	C14	C15	H15	178.5°	180.0°
C13	C14	C17	H17	47.4°	90.0°
C13	C14	C17	H17A	72.7°	30.0°
C13	C14	C17	H17B	167.3°	150.0°
C14	C13	C12	H12	179.5°	179.7°
C9	C5	C6	N4	127.4°	119.5°
C9	C5	C6	H5	114.6°	120.8°
C9	C5	N4	H5	114.2°	120.9°
C9	C5	C6	C7	70.7°	62.2°
C9	C5	N4	C8A	66.3°	54.0°
C9	C5	N4	C3	54.5°	63.1°
C5	C9	H9	H9A	118.1°	120.0°
C9	C5	C6	H6	169.3°	177.5°
C9	C5	C6	H6A	48.7°	58.1°
C6	C5	N4	H5	120.5°	119.6°
C5	C6	C7	H6	120.0°	120.3°
C5	C6	C7	H6A	119.3°	120.3°
C5	C6	C7	C8	57.2°	53.7°
C6	C5	N4	C8A	59.0°	65.6°
C6	C5	N4	C3	179.9°	177.3°
C6	C5	C9	H9	50.1°	53.4°
C6	C5	C9	H9A	172.2°	173.5°
C5	C6	H6	H6A	119.4°	119.4°
C5	C6	C7	H7	177.2°	174.0°
C5	C6	C7	H7A	62.3°	66.5°
N4	C5	C6	C7	56.8°	57.4°
C5	N4	C8A	C8	58.4°	69.9°
C5	N4	C8A	C1	175.9°	169.2°
C5	N4	C8A	C3	128.1°	124.9°
C5	N4	C3	C2	168.5°	162.4°
N4	C5	C9	H9	72.8°	64.9°
N4	C5	C9	H9A	49.4°	55.2°
N4	C5	C6	H6	63.2°	62.9°
N4	C5	C6	H6A	176.1°	177.7°
C5	N4	C8A	H8A	56.8°	50.8°
C5	N4	C3	H3	48.5°	43.9°
C5	N4	C3	H3A	69.0°	79.1°
C6	C7	C8	H7	120.0°	120.3°
C6	C7	C8	H7A	119.5°	120.3°
C6	C7	C8	O8	174.5°	175.6°
C6	C7	C8	C8A	54.8°	56.1°
C7	C6	C5	H5	174.8°	177.0°
C7	C6	H6	H6A	119.4°	119.4°
C6	C7	H7	H7A	119.5°	119.5°
C6	C7	C8	H8	65.0°	63.4°
C7	C8	O8	C8A	120.8°	118.1°
C7	C8	O8	H8	119.4°	120.9°
C7	C8	C8A	H8	119.4°	119.5°
C7	C8	C8A	C1	171.2°	177.2°
C7	C8	C8A	N4	53.9°	62.9°
C8	C7	C6	H6	62.8°	66.5°
C8	C7	C6	H6A	176.6°	174.0°
C8	C7	H7	H7A	119.6°	119.4°
C7	C8	O8	HO8	105.6°	60.0°
C7	C8	C8A	H8A	70.0°	58.2°
O8	C8	C8A	H8	120.6°	121.0°
O8	C8	C8A	C1	68.7°	63.3°
O8	C8	C8A	N4	174.0°	177.6°
O8	C8	C7	H7	65.5°	64.0°
O8	C8	C7	H7A	55.0°	55.4°
O8	C8	C8A	H8A	50.0°	61.3°
C8	C8A	C1	N4	120.9°	116.6°
C8	C8A	C1	H8A	115.0°	124.5°
C8	C8A	N4	H8A	115.2°	120.7°
C8	C8A	C1	O1	36.4°	25.8°
C8	C8A	C1	C2	154.9°	144.5°
C8	C8A	N4	C3	173.4°	165.2°
C8A	C8	C7	H7	174.9°	176.4°
C8A	C8	C7	H7A	64.7°	64.2°
C8A	C8	O8	HO8	15.2°	178.1°
C8	C8A	C1	H1	81.1°	96.8°
C1	C8A	N4	H8A	119.1°	118.4°
C8A	C1	O1	C2	114.3°	114.8°
C8A	C1	O1	H1	121.5°	122.6°
C8A	C1	C2	H1	121.1°	118.7°
C1	C8A	N4	C3	47.7°	44.3°
C8A	C1	C2	C3	8.5°	2.5°
C8A	C1	C2	O2	127.2°	121.4°
C1	C8A	C8	H8	51.8°	57.7°
C8A	C1	O1	HO1	19.9°	180.0°
C8A	C1	C2	H2	113.1°	116.4°
N4	C8A	C1	O1	84.4°	90.8°
N4	C8A	C1	C2	34.0°	27.9°
C8A	N4	C3	C2	41.2°	42.3°
C8A	N4	C5	H5	179.5°	174.9°
N4	C8A	C8	H8	65.5°	56.6°
N4	C8A	C1	H1	158.0°	146.7°
C8A	N4	C3	H3	78.8°	76.3°
C8A	N4	C3	H3A	163.7°	160.7°
O1	C1	C2	H1	117.4°	122.6°
O1	C1	C2	C3	112.9°	116.2°
O1	C1	C2	O2	5.7°	2.6°
O1	C1	C8A	H8A	151.5°	150.3°
O1	C1	C2	H2	125.4°	124.9°
C1	C2	C3	N4	19.5°	24.0°
C1	C2	C3	O2	119.1°	118.8°
C1	C2	C3	H2	121.2°	118.9°
C1	C2	O2	H2	121.3°	122.3°
C2	C1	C8A	H8A	90.1°	91.0°
C2	C1	O1	HO1	134.3°	65.2°
C1	C2	C3	H3	100.5°	94.6°
C1	C2	C3	H3A	142.0°	142.5°
C1	C2	O2	HO2	23.9°	180.0°
N4	C3	C2	H3	120.0°	118.6°
N4	C3	C2	H3A	122.5°	118.5°
N4	C3	C2	O2	99.5°	94.8°
C3	N4	C5	H5	59.7°	57.8°
C3	N4	C8A	H8A	71.3°	74.1°
N4	C3	H3	H3A	122.8°	123.0°
N4	C3	C2	H2	140.8°	142.9°
C3	C2	O2	H2	121.7°	122.3°
C3	C2	C1	H1	129.7°	121.2°
C2	C3	H3	H3A	122.8°	122.9°
C3	C2	O2	HO2	93.0°	64.6°
O2	C2	C1	H1	111.7°	119.9°
O2	C2	C3	H3	140.4°	146.6°
O2	C2	C3	H3A	22.9°	23.7°
H16	C16	C15	H15	1.0°	0.1°
H17	C17	H17A	H17B	120.0°	120.0°
H13	C13	C12	H12	0.5°	0.0°
H9	C9	C5	H5	170.1°	174.2°
H9A	C9	C5	H5	67.8°	65.7°
H5	C5	C6	H6	54.8°	56.7°
H5	C5	C6	H6A	65.9°	62.7°
H6	C6	C7	H7	57.2°	53.7°
H6	C6	C7	H7A	177.7°	173.2°
H6A	C6	C7	H7	63.4°	65.7°
H6A	C6	C7	H7A	57.0°	53.8°
H7	C7	C8	H8	55.0°	56.9°
H7A	C7	C8	H8	175.5°	176.3°
H8	C8	O8	HO8	135.1°	60.9°
H8	C8	C8A	H8A	170.6°	177.7°
H8A	C8A	C1	H1	33.9°	27.8°
H1	C1	O1	HO1	101.6°	57.5°
H1	C1	C2	H2	8.0°	2.3°
H3	C3	C2	H2	20.7°	24.3°
H3A	C3	C2	H2	96.8°	98.6°
H2	C2	O2	HO2	145.3°	57.8°

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