H6W

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N4	C9	doub	1.31Å	1.33Å	Aromatic
N4	N3	sing	1.40Å	1.37Å	Aromatic
C9	C10	sing	1.40Å	1.40Å	Aromatic
N3	C8	sing	1.37Å	1.36Å	Aromatic
N3	C18	sing	1.37Å	1.40Å	Aromatic
C8	C7	doub	1.35Å	1.35Å	Aromatic
C10	C18	doub	1.40Å	1.38Å	Aromatic
C10	C11	sing	1.48Å	1.48Å
C12	C11	doub	1.39Å	1.40Å	Aromatic
C12	C13	sing	1.38Å	1.39Å	Aromatic
C18	N5	sing	1.34Å	1.35Å	Aromatic
C7	C6	sing	1.41Å	1.42Å	Aromatic
C2	N1	sing	1.47Å	1.47Å
C11	C16	sing	1.39Å	1.39Å	Aromatic
C13	C14	doub	1.39Å	1.36Å	Aromatic
N5	C6	doub	1.32Å	1.32Å	Aromatic
C6	N2	sing	1.38Å	1.33Å
C16	C15	doub	1.38Å	1.36Å	Aromatic
C14	C15	sing	1.39Å	1.38Å	Aromatic
C14	O2	sing	1.37Å	1.38Å
N1	C3	sing	1.47Å	1.48Å
N1	C1	sing	1.47Å	1.46Å
C15	O1	sing	1.37Å	1.38Å
C4	C3	sing	1.53Å	1.52Å
C4	C5	sing	1.53Å	1.51Å
O2	C17	sing	1.44Å	1.43Å
N2	C5	sing	1.47Å	1.46Å
O1	C17	sing	1.44Å	1.43Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.08Å	1.08Å
C8	H6	sing	1.08Å	1.08Å
C9	H7	sing	1.08Å	1.08Å
C12	H8	sing	1.08Å	1.08Å
C13	H9	sing	1.08Å	1.08Å
N2	H11	sing	0.97Å	1.00Å
C3	H12	sing	1.09Å	1.10Å
C3	H13	sing	1.09Å	1.10Å
C1	H14	sing	1.09Å	1.10Å
C1	H15	sing	1.09Å	1.10Å
C1	H16	sing	1.09Å	1.10Å
C2	H17	sing	1.09Å	1.10Å
C2	H18	sing	1.09Å	1.10Å
C2	H19	sing	1.09Å	1.10Å
C16	H20	sing	1.08Å	1.08Å
C17	H21	sing	1.09Å	1.10Å
C17	H10	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	N4	N3	105.0°	109.2°
N4	C9	C10	112.2°	108.8°
N4	C9	H7	123.9°	125.6°
N4	N3	C8	127.7°	132.2°
N4	N3	C18	111.3°	107.9°
C9	C10	C18	105.9°	107.2°
C9	C10	C11	129.1°	126.3°
C10	C9	H7	123.8°	125.6°
C8	N3	C18	121.0°	119.9°
N3	C8	C7	117.9°	119.2°
N3	C8	H6	121.0°	120.4°
N3	C18	C10	105.5°	106.8°
N3	C18	N5	121.0°	120.7°
C8	C7	C6	119.7°	119.4°
C8	C7	H5	120.1°	120.3°
C7	C8	H6	121.1°	120.4°
C18	C10	C11	124.7°	126.4°
C10	C18	N5	133.4°	132.4°
C10	C11	C12	120.6°	120.1°
C10	C11	C16	120.2°	120.1°
C11	C12	C13	122.2°	120.0°
C12	C11	C16	118.7°	119.8°
C11	C12	H8	118.9°	120.0°
C12	C13	C14	117.1°	120.2°
C13	C12	H8	118.9°	120.0°
C12	C13	H9	121.4°	119.9°
C18	N5	C6	117.8°	120.7°
C7	C6	N5	122.5°	120.0°
C7	C6	N2	118.1°	120.0°
C6	C7	H5	120.2°	120.3°
C2	N1	C3	112.0°	111.0°
C2	N1	C1	110.5°	111.0°
N1	C2	H17	109.5°	109.4°
N1	C2	H18	109.5°	109.4°
N1	C2	H19	109.5°	109.5°
C11	C16	C15	118.3°	119.9°
C11	C16	H20	120.9°	120.0°
C13	C14	C15	121.3°	120.0°
C13	C14	O2	128.7°	131.4°
C14	C13	H9	121.4°	119.9°
N5	C6	N2	119.4°	120.0°
C6	N2	C5	122.2°	120.0°
C6	N2	H11	106.2°	120.0°
C16	C15	C14	122.3°	120.0°
C16	C15	O1	127.6°	131.4°
C15	C16	H20	120.9°	120.0°
C15	C14	O2	110.0°	108.6°
C14	C15	O1	110.1°	108.6°
C14	O2	C17	105.4°	105.5°
C3	N1	C1	110.5°	111.0°
N1	C3	C4	115.0°	109.5°
N1	C3	H12	108.1°	109.4°
N1	C3	H13	108.1°	109.5°
N1	C1	H14	109.5°	109.5°
N1	C1	H15	109.4°	109.4°
N1	C1	H16	109.4°	109.5°
C15	O1	C17	105.4°	105.5°
C3	C4	C5	112.8°	109.4°
C3	C4	H1	108.6°	109.4°
C3	C4	H2	108.7°	109.5°
C4	C3	H12	108.0°	109.4°
C4	C3	H13	108.1°	109.5°
C4	C5	N2	113.1°	109.5°
C5	C4	H1	108.7°	109.5°
C5	C4	H2	108.6°	109.5°
C4	C5	H3	108.6°	109.5°
C4	C5	H4	108.5°	109.5°
O2	C17	O1	108.2°	103.7°
O2	C17	H21	109.8°	110.6°
O2	C17	H10	109.8°	110.7°
N2	C5	H3	108.6°	109.4°
N2	C5	H4	108.6°	109.5°
C5	N2	H11	106.2°	120.0°
O1	C17	H21	109.8°	110.6°
O1	C17	H10	109.8°	110.6°
H1	C4	H2	109.4°	109.5°
H3	C5	H4	109.5°	109.5°
H12	C3	H13	109.5°	109.5°
H14	C1	H15	109.4°	109.5°
H14	C1	H16	109.5°	109.5°
H15	C1	H16	109.5°	109.5°
H17	C2	H18	109.4°	109.5°
H17	C2	H19	109.5°	109.5°
H18	C2	H19	109.5°	109.5°
H21	C17	H10	109.5°	110.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N4	C9	C10	H7	180.0°	179.9°
C9	N4	N3	C8	179.9°	180.0°
C9	N4	N3	C18	0.4°	0.0°
N4	C9	C10	C18	1.9°	0.0°
N4	C9	C10	C11	176.0°	180.0°
N3	N4	C9	C10	1.4°	0.0°
N4	N3	C8	C18	179.5°	180.0°
N4	N3	C8	C7	178.8°	180.0°
N4	N3	C18	C10	0.7°	0.0°
N4	N3	C18	N5	179.8°	179.7°
N4	N3	C8	H6	1.2°	0.0°
N3	N4	C9	H7	178.6°	179.9°
C9	C10	C18	N3	1.5°	0.0°
C9	C10	C18	C11	174.5°	180.0°
C9	C10	C11	C12	4.2°	129.6°
C9	C10	C18	N5	179.6°	179.7°
C9	C10	C11	C16	168.1°	50.0°
N3	C8	C7	H6	180.0°	180.0°
C8	N3	C18	C10	178.8°	180.0°
C8	N3	C18	N5	0.2°	0.3°
N3	C8	C7	C6	1.6°	0.0°
N3	C8	C7	H5	178.5°	180.0°
C18	N3	C8	C7	1.8°	0.0°
N3	C18	C10	N5	178.9°	179.7°
N3	C18	C10	C11	176.0°	180.0°
N3	C18	N5	C6	1.5°	0.6°
C18	N3	C8	H6	178.2°	180.0°
C8	C7	C6	H5	180.0°	180.0°
C8	C7	C6	N5	0.2°	0.3°
C8	C7	C6	N2	179.5°	180.0°
C18	C10	C11	C12	177.3°	50.4°
C18	C10	C11	C16	5.1°	130.0°
C10	C18	N5	C6	179.7°	179.8°
C18	C10	C9	H7	178.1°	179.9°
C10	C11	C12	C16	172.4°	179.6°
C10	C11	C12	C13	176.5°	179.7°
C11	C10	C18	N5	5.1°	0.3°
C10	C11	C16	C15	176.2°	180.0°
C11	C10	C9	H7	4.0°	0.1°
C10	C11	C12	H8	3.6°	0.4°
C10	C11	C16	H20	3.8°	0.5°
C11	C12	C13	H8	180.0°	179.3°
C11	C12	C13	C14	1.3°	0.5°
C12	C11	C16	C15	3.8°	0.5°
C11	C12	C13	H9	178.7°	179.5°
C12	C11	C16	H20	176.2°	179.9°
C13	C12	C11	C16	4.1°	0.7°
C12	C13	C14	H9	180.0°	180.0°
C12	C13	C14	C15	1.8°	0.0°
C12	C13	C14	O2	179.2°	179.7°
C18	N5	C6	C7	1.8°	0.6°
C18	N5	C6	N2	177.9°	179.7°
C7	C6	N5	N2	179.7°	179.7°
C7	C6	N2	C5	176.7°	179.9°
C6	C7	C8	H6	178.5°	180.0°
C7	C6	N2	H11	54.9°	0.0°
C2	N1	C3	C1	123.7°	123.9°
C2	N1	C3	C4	72.1°	66.1°
C2	N1	C3	H12	48.7°	174.0°
C2	N1	C3	H13	167.1°	53.9°
C2	N1	C1	H14	180.0°	63.9°
C2	N1	C1	H15	60.0°	56.1°
C2	N1	C1	H16	60.0°	176.1°
N1	C2	H17	H18	120.0°	120.0°
N1	C2	H17	H19	120.0°	120.0°
N1	C2	H18	H19	120.0°	120.0°
C11	C16	C15	H20	180.0°	179.5°
C11	C16	C15	C14	0.9°	0.1°
C11	C16	C15	O1	178.4°	180.0°
C16	C11	C12	H8	175.9°	180.0°
C13	C14	C15	C16	2.0°	0.3°
C13	C14	C15	O2	177.9°	179.7°
C13	C14	C15	O1	178.6°	179.8°
C13	C14	O2	C17	172.5°	163.0°
C14	C13	C12	H8	178.7°	179.8°
N5	C6	N2	C5	3.1°	0.2°
N5	C6	C7	H5	179.8°	179.7°
N5	C6	N2	H11	124.8°	179.7°
C6	N2	C5	C4	78.6°	180.0°
C6	N2	C5	H11	121.7°	179.9°
C6	N2	C5	H3	41.9°	60.1°
C6	N2	C5	H4	160.8°	60.0°
N2	C6	C7	H5	0.5°	0.0°
C16	C15	C14	O1	179.4°	179.9°
C16	C15	C14	O2	179.9°	180.0°
C16	C15	O1	C17	174.4°	162.6°
C15	C14	O2	C17	5.1°	17.4°
C14	C15	O1	C17	6.2°	17.3°
C15	C14	C13	H9	178.2°	179.9°
C14	C15	C16	H20	179.1°	179.4°
O2	C14	C15	O1	0.7°	0.1°
C14	O2	C17	O1	8.9°	27.2°
O2	C14	C13	H9	0.8°	0.3°
C14	O2	C17	H21	128.7°	91.3°
C14	O2	C17	H10	110.9°	145.9°
N1	C3	C4	H12	120.8°	119.9°
N1	C3	C4	H13	120.8°	120.1°
N1	C3	C4	C5	179.3°	180.0°
N1	C3	C4	H1	58.8°	60.1°
N1	C3	C4	H2	60.2°	60.0°
N1	C3	H12	H13	117.5°	120.1°
C3	N1	C1	H14	55.4°	60.0°
C3	N1	C1	H15	64.6°	180.0°
C3	N1	C1	H16	175.4°	60.0°
C3	N1	C2	H17	180.0°	60.0°
C3	N1	C2	H18	60.0°	180.0°
C3	N1	C2	H19	60.0°	60.0°
C1	N1	C3	C4	164.2°	170.0°
C1	N1	C3	H12	75.0°	50.0°
C1	N1	C3	H13	43.4°	70.0°
N1	C1	H14	H15	120.0°	120.0°
N1	C1	H14	H16	120.0°	120.0°
N1	C1	H15	H16	120.0°	120.0°
C1	N1	C2	H17	56.3°	176.0°
C1	N1	C2	H18	63.6°	56.0°
C1	N1	C2	H19	176.4°	64.0°
C15	O1	C17	O2	9.3°	27.2°
O1	C15	C16	H20	1.6°	0.5°
C15	O1	C17	H21	129.1°	91.4°
C15	O1	C17	H10	110.5°	145.9°
C3	C4	C5	H1	120.5°	119.9°
C3	C4	C5	H2	120.5°	120.1°
C3	C4	C5	N2	160.3°	179.9°
C3	C4	H1	H2	118.5°	120.1°
C3	C4	C5	H3	39.8°	60.0°
C3	C4	C5	H4	79.2°	60.1°
C4	C3	H12	H13	117.5°	120.0°
C4	C5	N2	H3	120.5°	119.9°
C4	C5	N2	H4	120.5°	120.0°
C5	C4	H1	H2	118.5°	120.0°
C4	C5	H3	H4	118.3°	120.1°
C4	C5	N2	H11	43.1°	0.0°
C5	C4	C3	H12	59.9°	60.0°
C5	C4	C3	H13	58.5°	60.0°
O2	C17	O1	H21	119.8°	118.5°
O2	C17	O1	H10	119.8°	118.7°
O2	C17	H21	H10	120.6°	122.9°
N2	C5	C4	H1	79.2°	60.0°
N2	C5	C4	H2	39.8°	60.0°
N2	C5	H3	H4	118.4°	120.0°
O1	C17	H21	H10	120.6°	122.8°
H1	C4	C5	H3	160.3°	59.9°
H1	C4	C5	H4	41.3°	180.0°
H1	C4	C3	H12	179.6°	NaN°
H1	C4	C3	H13	62.0°	60.0°
H2	C4	C5	H3	80.8°	179.9°
H2	C4	C5	H4	160.3°	60.0°
H2	C4	C3	H12	60.6°	60.0°
H2	C4	C3	H13	179.0°	180.0°
H3	C5	N2	H11	163.6°	120.0°
H4	C5	N2	H11	77.4°	120.0°
H5	C7	C8	H6	1.5°	0.0°
H8	C12	C13	H9	1.3°	0.3°
H14	C1	H15	H16	120.0°	120.0°
H17	C2	H18	H19	120.0°	120.1°

Release date:	2020-03-11
Definition date:	2018-11-19
Last modified:	2020-03-06
Release status:	REL
Processing site:	EBI
Derived from:	6I82