8WX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	C11	sing	1.41Å	1.39Å	Aromatic
C12	C9	doub	1.35Å	1.40Å	Aromatic
C11	C8	doub	1.36Å	1.39Å	Aromatic
N4	C18	trip	1.14Å	1.46Å
C9	N2	sing	1.37Å	1.35Å	Aromatic
C8	O1	sing	1.36Å	1.37Å
C8	C6	sing	1.41Å	1.39Å	Aromatic
N2	C6	sing	1.37Å	1.35Å	Aromatic
N2	C5	sing	1.37Å	1.35Å	Aromatic
C18	C10	sing	1.47Å	1.53Å
C14	O1	sing	1.43Å	1.44Å
C14	C15	sing	1.51Å	1.52Å
C17	C15	doub	1.38Å	1.38Å	Aromatic
C17	C20	sing	1.38Å	1.38Å	Aromatic
C6	N3	doub	1.33Å	1.35Å	Aromatic
C5	C10	sing	1.51Å	1.51Å
C5	C7	doub	1.35Å	1.37Å	Aromatic
C15	C16	sing	1.38Å	1.38Å	Aromatic
C20	C21	doub	1.38Å	1.38Å	Aromatic
N3	C7	sing	1.33Å	1.34Å	Aromatic
C7	C13	sing	1.51Å	1.50Å
C16	C19	doub	1.38Å	1.38Å	Aromatic
C21	C19	sing	1.38Å	1.38Å	Aromatic
C10	H1	sing	1.09Å	1.10Å
C10	H2	sing	1.09Å	1.10Å
C11	H3	sing	1.08Å	1.08Å
C12	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.09Å	1.10Å
C13	H6	sing	1.09Å	1.10Å
C13	H7	sing	1.09Å	1.10Å
C14	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.09Å	1.10Å
C16	H10	sing	1.08Å	1.08Å
C17	H11	sing	1.08Å	1.08Å
C19	H14	sing	1.08Å	1.08Å
C20	H15	sing	1.08Å	1.08Å
C21	H16	sing	1.08Å	1.08Å
C9	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C12	C9	119.8°	120.3°
C12	C11	C8	118.4°	119.6°
C12	C11	H3	120.8°	120.2°
C11	C12	H4	120.1°	119.8°
C12	C9	N2	120.9°	120.7°
C9	C12	H4	120.1°	119.9°
C12	C9	H17	119.5°	119.6°
C11	C8	O1	121.0°	120.3°
C11	C8	C6	119.4°	119.3°
C8	C11	H3	120.8°	120.2°
N4	C18	C10	109.6°	180.0°
C9	N2	C6	119.7°	120.4°
C9	N2	C5	132.3°	132.5°
N2	C9	H17	119.5°	119.6°
O1	C8	C6	119.6°	120.4°
C8	O1	C14	121.2°	117.0°
C8	C6	N2	121.7°	119.6°
C8	C6	N3	129.9°	132.4°
C6	N2	C5	108.0°	107.0°
N2	C6	N3	108.3°	108.0°
N2	C5	C10	129.3°	126.4°
N2	C5	C7	107.8°	107.2°
C18	C10	C5	112.4°	109.4°
C18	C10	H1	108.7°	109.4°
C18	C10	H2	108.8°	109.5°
O1	C14	C15	110.6°	109.5°
O1	C14	H8	109.2°	109.5°
O1	C14	H9	109.2°	109.4°
C14	C15	C17	120.5°	120.0°
C14	C15	C16	120.6°	120.0°
C15	C14	H8	109.2°	109.5°
C15	C14	H9	109.2°	109.4°
C15	C17	C20	119.5°	120.0°
C17	C15	C16	118.9°	120.0°
C15	C17	H11	120.3°	120.0°
C17	C20	C21	121.6°	120.0°
C20	C17	H11	120.2°	120.0°
C17	C20	H15	119.2°	120.0°
C6	N3	C7	108.4°	109.2°
C10	C5	C7	123.0°	126.4°
C5	C10	H1	108.8°	109.5°
C5	C10	H2	108.7°	109.5°
C5	C7	N3	107.5°	108.6°
C5	C7	C13	126.2°	125.7°
C15	C16	C19	121.4°	120.0°
C15	C16	H10	119.3°	120.0°
C20	C21	C19	118.7°	120.0°
C21	C20	H15	119.2°	120.0°
C20	C21	H16	120.6°	120.0°
N3	C7	C13	126.3°	125.7°
C7	C13	H5	109.5°	109.5°
C7	C13	H6	109.5°	109.5°
C7	C13	H7	109.5°	109.5°
C16	C19	C21	119.9°	120.0°
C19	C16	H10	119.3°	120.0°
C16	C19	H14	120.0°	120.0°
C21	C19	H14	120.1°	120.0°
C19	C21	H16	120.7°	120.0°
H1	C10	H2	109.5°	109.5°
H5	C13	H6	109.4°	109.4°
H5	C13	H7	109.5°	109.5°
H6	C13	H7	109.5°	109.5°
H8	C14	H9	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C12	C9	H4	180.0°	180.0°
C12	C11	C8	H3	180.0°	179.8°
C11	C12	C9	N2	0.4°	0.0°
C12	C11	C8	O1	179.8°	179.7°
C12	C11	C8	C6	0.3°	0.2°
C11	C12	C9	H17	179.6°	180.0°
C9	C12	C11	C8	0.5°	0.0°
C12	C9	N2	H17	180.0°	180.0°
C12	C9	N2	C6	0.1°	0.4°
C12	C9	N2	C5	179.9°	180.0°
C9	C12	C11	H3	179.4°	179.8°
C11	C8	O1	C6	179.9°	179.9°
C11	C8	C6	N2	0.2°	0.5°
C11	C8	O1	C14	42.2°	0.0°
C11	C8	C6	N3	179.7°	180.0°
C8	C11	C12	H4	179.5°	180.0°
N4	C18	C10	C5	101.9°	49.9°
N4	C18	C10	H1	18.5°	169.8°
N4	C18	C10	H2	137.7°	70.1°
C9	N2	C6	C8	0.3°	0.6°
C9	N2	C6	C5	179.9°	179.7°
C9	N2	C6	N3	179.9°	179.8°
C9	N2	C5	C10	0.8°	0.0°
C9	N2	C5	C7	179.9°	180.0°
N2	C9	C12	H4	179.6°	180.0°
O1	C8	C6	N2	179.7°	179.4°
C8	O1	C14	C15	168.7°	180.0°
O1	C8	C6	N3	0.3°	0.0°
O1	C8	C11	H3	0.2°	0.1°
C8	O1	C14	H8	71.1°	60.0°
C8	O1	C14	H9	48.5°	60.0°
C8	C6	N2	N3	179.6°	179.5°
C8	C6	N2	C5	179.7°	179.7°
C6	C8	O1	C14	137.9°	180.0°
C8	C6	N3	C7	179.6°	179.4°
C6	C8	C11	H3	179.7°	180.0°
C6	N2	C5	C10	179.1°	179.7°
C6	N2	C5	C7	0.2°	0.3°
N2	C6	N3	C7	0.0°	0.1°
C6	N2	C9	H17	179.9°	179.7°
N2	C5	C10	C18	87.6°	90.0°
C5	N2	C6	N3	0.2°	0.1°
N2	C5	C10	C7	179.2°	180.0°
N2	C5	C7	N3	0.2°	0.3°
N2	C5	C7	C13	179.8°	180.0°
N2	C5	C10	H1	32.8°	29.9°
N2	C5	C10	H2	151.9°	150.0°
C5	N2	C9	H17	0.0°	0.0°
C18	C10	C5	H1	120.4°	119.9°
C18	C10	C5	H2	120.4°	120.0°
C18	C10	C5	C7	93.1°	90.0°
C18	C10	H1	H2	118.7°	120.0°
O1	C14	C15	H8	120.2°	120.1°
O1	C14	C15	H9	120.2°	120.0°
O1	C14	C15	C17	92.3°	90.3°
O1	C14	C15	C16	87.5°	90.0°
O1	C14	H8	H9	119.4°	120.0°
C14	C15	C17	C16	179.8°	179.7°
C14	C15	C17	C20	179.0°	180.0°
C14	C15	C16	C19	179.3°	180.0°
C15	C14	H8	H9	119.5°	120.0°
C14	C15	C16	H10	0.7°	0.0°
C14	C15	C17	H11	1.0°	0.0°
C15	C17	C20	H11	180.0°	180.0°
C15	C17	C20	C21	0.9°	0.0°
C17	C15	C16	C19	0.5°	0.3°
C17	C15	C14	H8	27.9°	29.8°
C17	C15	C14	H9	147.6°	149.8°
C17	C15	C16	H10	179.5°	179.7°
C15	C17	C20	H15	179.2°	180.0°
C20	C17	C15	C16	0.8°	0.3°
C17	C20	C21	H15	180.0°	180.0°
C17	C20	C21	C19	0.5°	0.3°
C17	C20	C21	H16	179.4°	180.0°
C6	N3	C7	C5	0.1°	0.3°
C6	N3	C7	C13	179.7°	179.9°
C10	C5	C7	N3	179.2°	179.7°
C10	C5	C7	C13	0.4°	0.0°
C5	C10	H1	H2	118.7°	120.1°
C5	C7	N3	C13	179.6°	179.6°
C7	C5	C10	H1	146.4°	150.1°
C7	C5	C10	H2	27.3°	30.0°
C5	C7	C13	H5	179.5°	90.0°
C5	C7	C13	H6	59.5°	150.0°
C5	C7	C13	H7	60.5°	30.0°
C15	C16	C19	H10	180.0°	180.0°
C15	C16	C19	C21	0.2°	0.0°
C16	C15	C14	H8	152.3°	149.9°
C16	C15	C14	H9	32.7°	29.9°
C16	C15	C17	H11	179.2°	179.7°
C15	C16	C19	H14	179.8°	179.9°
C20	C21	C19	C16	0.2°	0.3°
C20	C21	C19	H16	180.0°	179.7°
C21	C20	C17	H11	179.2°	180.0°
C20	C21	C19	H14	179.8°	179.8°
N3	C7	C13	H5	0.0°	90.4°
N3	C7	C13	H6	120.0°	29.6°
N3	C7	C13	H7	120.0°	149.6°
C7	C13	H5	H6	120.0°	120.0°
C7	C13	H5	H7	120.0°	120.0°
C7	C13	H6	H7	120.0°	120.0°
C16	C19	C21	H14	180.0°	179.9°
C16	C19	C21	H16	179.8°	180.0°
C21	C19	C16	H10	179.8°	180.0°
C19	C21	C20	H15	179.5°	179.7°
H3	C11	C12	H4	0.6°	0.2°
H4	C12	C9	H17	0.4°	0.0°
H5	C13	H6	H7	120.0°	120.0°
H10	C16	C19	H14	0.1°	0.1°
H11	C17	C20	H15	0.8°	0.0°
H14	C19	C21	H16	0.2°	0.1°
H15	C20	C21	H16	0.5°	0.0°

Release date:	2018-04-11
Definition date:	2017-10-20
Last modified:	2018-04-06
Release status:	REL
Processing site:	RCSB
Derived from:	5YLV