5WO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N6	C6	sing	1.39Å	1.33Å
C6	N1	doub	1.33Å	1.34Å	Aromatic
C6	C5	sing	1.40Å	1.34Å	Aromatic
N1	C2	sing	1.32Å	1.40Å	Aromatic
N7	C5	sing	1.38Å	1.33Å	Aromatic
N7	C8	sing	1.35Å	1.33Å	Aromatic
C5	C4	doub	1.41Å	1.34Å	Aromatic
C8	N9	doub	1.30Å	1.33Å	Aromatic
C2	N3	doub	1.31Å	1.40Å	Aromatic
C4	N3	sing	1.34Å	1.34Å	Aromatic
C4	N9	sing	1.35Å	1.33Å	Aromatic
C8	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
N6	H3	sing	0.97Å	1.00Å
N7	H5	sing	0.97Å	1.00Å
N6	C13	sing	1.35Å	101.67Å
C3	C7	sing	1.39Å	0.00Å	Aromatic
C7	C19	doub	1.39Å	0.00Å	Aromatic
C19	C10	sing	1.39Å	0.00Å	Aromatic
C10	C11	doub	1.38Å	0.00Å	Aromatic
C11	C12	sing	1.38Å	0.00Å	Aromatic
C12	C3	doub	1.40Å	0.00Å	Aromatic
C3	C13	sing	1.48Å	0.00Å
C7	H7	sing	1.08Å	0.00Å
C10	H9	sing	1.08Å	0.00Å
C11	H10	sing	1.08Å	0.00Å
C12	H11	sing	1.08Å	0.00Å
C1	C14	sing	1.39Å	0.00Å	Aromatic
C14	C23	doub	1.39Å	0.00Å	Aromatic
C23	C16	sing	1.39Å	0.00Å	Aromatic
C16	C17	doub	1.38Å	0.00Å	Aromatic
C17	C18	sing	1.38Å	0.00Å	Aromatic
C18	C1	doub	1.39Å	0.00Å	Aromatic
C1	C19	sing	1.48Å	0.00Å
N2	C9	sing	1.36Å	0.00Å	Aromatic
C9	C20	doub	1.35Å	0.00Å	Aromatic
C20	C21	sing	1.41Å	0.00Å	Aromatic
C21	C22	doub	1.35Å	0.00Å	Aromatic
C22	N2	sing	1.36Å	0.00Å	Aromatic
N2	C23	sing	1.40Å	0.00Å
C14	H12	sing	1.08Å	0.00Å
C16	H13	sing	1.08Å	0.00Å
C17	H14	sing	1.08Å	0.00Å
C18	H15	sing	1.08Å	0.00Å
C20	H8	sing	1.08Å	0.00Å
C21	H17	sing	1.08Å	0.00Å
C22	H18	sing	1.08Å	0.00Å
C9	H20	sing	1.08Å	0.00Å
C13	O1	doub	1.22Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N6	C6	N1	120.8°	120.8°
N6	C6	C5	117.1°	120.7°
C6	N6	H3	112.0°	120.0°
C6	N6	C13	135.9°	120.0°
N1	C6	C5	122.1°	118.5°
C6	N1	C2	118.8°	121.1°
C6	C5	N7	132.2°	135.3°
C6	C5	C4	120.5°	118.6°
N1	C2	N3	118.0°	122.5°
N1	C2	H2	121.0°	118.7°
C5	N7	C8	108.8°	107.2°
N7	C5	C4	107.2°	106.1°
C5	N7	H5	125.6°	126.4°
N7	C8	N9	107.5°	110.1°
N7	C8	H1	126.3°	125.0°
C8	N7	H5	125.6°	126.4°
C5	C4	N3	120.5°	118.6°
C5	C4	N9	108.1°	106.8°
C8	N9	C4	108.3°	109.8°
N9	C8	H1	126.2°	124.9°
C2	N3	C4	120.1°	120.6°
N3	C2	H2	121.0°	118.8°
N3	C4	N9	131.4°	134.5°
H3	N6	C13	112.1°	120.0°
N6	C13	C3	90.0°	120.0°
N6	C13	O1	90.0°	120.0°
C3	C7	C19	90.0°	119.7°
C7	C3	C12	90.0°	119.8°
C7	C3	C13	90.0°	120.1°
C3	C7	H7	90.0°	120.2°
C7	C19	C10	90.0°	119.9°
C19	C7	H7	90.0°	120.1°
C7	C19	C1	90.0°	120.1°
C19	C10	C11	90.0°	120.2°
C19	C10	H9	90.0°	119.9°
C10	C19	C1	90.0°	120.0°
C10	C11	C12	90.0°	120.3°
C11	C10	H9	90.0°	119.9°
C10	C11	H10	90.0°	119.9°
C11	C12	C3	90.0°	120.1°
C12	C11	H10	90.0°	119.8°
C11	C12	H11	90.0°	120.0°
C12	C3	C13	90.0°	120.1°
C3	C12	H11	90.0°	120.0°
C3	C13	O1	90.0°	120.0°
C1	C14	C23	90.0°	119.8°
C14	C1	C18	90.0°	119.9°
C14	C1	C19	90.0°	120.1°
C1	C14	H12	90.0°	120.2°
C14	C23	C16	90.0°	120.0°
C14	C23	N2	90.0°	120.0°
C23	C14	H12	90.0°	120.1°
C23	C16	C17	90.0°	120.2°
C16	C23	N2	90.0°	120.0°
C23	C16	H13	90.0°	119.9°
C16	C17	C18	90.0°	120.2°
C17	C16	H13	90.0°	119.9°
C16	C17	H14	90.0°	120.0°
C17	C18	C1	90.0°	120.0°
C18	C17	H14	90.0°	119.8°
C17	C18	H15	90.0°	120.1°
C18	C1	C19	90.0°	120.1°
C1	C18	H15	90.0°	120.0°
N2	C9	C20	90.0°	108.2°
C9	N2	C22	90.0°	108.7°
C9	N2	C23	90.0°	125.7°
N2	C9	H20	90.0°	125.9°
C9	C20	C21	90.0°	107.5°
C9	C20	H8	90.0°	126.3°
C20	C9	H20	90.0°	125.9°
C20	C21	C22	90.0°	107.4°
C21	C20	H8	90.0°	126.3°
C20	C21	H17	90.0°	126.3°
C21	C22	N2	90.0°	108.2°
C22	C21	H17	90.0°	126.3°
C21	C22	H18	90.0°	125.8°
C22	N2	C23	90.0°	125.7°
N2	C22	H18	90.0°	126.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N6	C6	N1	C5	179.8°	179.9°
N6	C6	N1	C2	179.7°	180.0°
N6	C6	C5	N7	0.1°	0.0°
N6	C6	C5	C4	179.9°	180.0°
C6	N6	H3	C13	180.0°	180.0°
C6	N6	C13	C3	90.0°	180.0°
C6	N6	C13	O1	90.0°	0.0°
N1	C6	C5	N7	179.9°	180.0°
N1	C6	C5	C4	0.1°	0.0°
C6	N1	C2	N3	0.2°	0.0°
C6	N1	C2	H2	179.8°	180.0°
N1	C6	N6	H3	35.1°	180.0°
N1	C6	N6	C13	144.9°	0.0°
C5	C6	N1	C2	0.1°	0.1°
C6	C5	N7	C4	180.0°	180.0°
C6	C5	N7	C8	179.7°	180.0°
C6	C5	C4	N3	0.2°	0.0°
C6	C5	C4	N9	179.7°	179.8°
C5	C6	N6	H3	144.6°	0.0°
C6	C5	N7	H5	0.3°	0.1°
C5	C6	N6	C13	35.3°	180.0°
N1	C2	N3	H2	180.0°	179.9°
N1	C2	N3	C4	0.2°	0.0°
C5	N7	C8	H5	180.0°	179.9°
C5	N7	C8	N9	0.2°	0.2°
N7	C5	C4	N3	179.8°	180.0°
N7	C5	C4	N9	0.3°	0.2°
C5	N7	C8	H1	179.8°	179.8°
C8	N7	C5	C4	0.3°	0.0°
N7	C8	N9	H1	180.0°	179.6°
N7	C8	N9	C4	0.1°	0.3°
C5	C4	N9	C8	0.1°	0.3°
C5	C4	N3	C2	0.0°	0.0°
C5	C4	N3	N9	179.8°	179.7°
C4	C5	N7	H5	179.7°	180.0°
C8	N9	C4	N3	180.0°	179.9°
N9	C8	N7	H5	179.8°	179.8°
C2	N3	C4	N9	179.8°	179.7°
C4	N3	C2	H2	179.8°	179.9°
C4	N9	C8	H1	180.0°	180.0°
H1	C8	N7	H5	0.2°	0.1°
H3	N6	C13	C3	90.0°	0.1°
H3	N6	C13	O1	90.0°	180.0°
N6	C13	C3	C7	90.0°	180.0°
N6	C13	C3	C12	90.0°	0.3°
N6	C13	C3	O1	90.0°	179.9°
C3	C7	C19	H7	90.0°	179.9°
C3	C7	C19	C10	90.0°	0.1°
C7	C3	C12	C11	90.0°	0.0°
C7	C3	C12	C13	90.0°	179.7°
C7	C3	C12	H11	90.0°	179.9°
C3	C7	C19	C1	90.0°	180.0°
C7	C3	C13	O1	90.0°	0.1°
C7	C19	C10	C1	90.0°	179.9°
C7	C19	C10	C11	90.0°	0.5°
C19	C7	C3	C12	90.0°	0.3°
C19	C7	C3	C13	90.0°	180.0°
C7	C19	C10	H9	90.0°	179.7°
C7	C19	C1	C14	90.0°	180.0°
C7	C19	C1	C18	90.0°	0.4°
C19	C10	C11	H9	90.0°	179.2°
C19	C10	C11	C12	90.0°	0.8°
C10	C19	C7	H7	90.0°	180.0°
C19	C10	C11	H10	90.0°	179.2°
C10	C19	C1	C14	90.0°	0.1°
C10	C19	C1	C18	90.0°	179.7°
C10	C11	C12	H10	90.0°	180.0°
C10	C11	C12	C3	90.0°	0.6°
C10	C11	C12	H11	90.0°	179.5°
C11	C10	C19	C1	90.0°	179.4°
C11	C12	C3	H11	90.0°	179.9°
C11	C12	C3	C13	90.0°	179.7°
C12	C11	C10	H9	90.0°	179.9°
C12	C3	C7	H7	90.0°	179.7°
C3	C12	C11	H10	90.0°	179.5°
C12	C3	C13	O1	90.0°	179.7°
C13	C3	C7	H7	90.0°	0.1°
C13	C3	C12	H11	90.0°	0.2°
H7	C7	C19	C1	90.0°	0.1°
H9	C10	C11	H10	90.0°	0.0°
H9	C10	C19	C1	90.0°	0.2°
H10	C11	C12	H11	90.0°	0.4°
C1	C14	C23	H12	90.0°	179.9°
C1	C14	C23	C16	90.0°	0.0°
C14	C1	C18	C17	90.0°	0.0°
C14	C1	C18	C19	90.0°	179.6°
C1	C14	C23	N2	90.0°	180.0°
C14	C1	C18	H15	90.0°	180.0°
C14	C23	C16	N2	90.0°	180.0°
C14	C23	C16	C17	90.0°	0.6°
C23	C14	C1	C18	90.0°	0.3°
C23	C14	C1	C19	90.0°	180.0°
C14	C23	N2	C9	90.0°	180.0°
C14	C23	N2	C22	90.0°	0.4°
C14	C23	C16	H13	90.0°	179.7°
C23	C16	C17	H13	90.0°	179.1°
C23	C16	C17	C18	90.0°	0.9°
C16	C23	N2	C9	90.0°	0.0°
C16	C23	N2	C22	90.0°	179.6°
C16	C23	C14	H12	90.0°	179.9°
C23	C16	C17	H14	90.0°	179.2°
C16	C17	C18	H14	90.0°	179.9°
C16	C17	C18	C1	90.0°	0.6°
C17	C16	C23	N2	90.0°	179.4°
C16	C17	C18	H15	90.0°	179.4°
C17	C18	C1	H15	90.0°	180.0°
C17	C18	C1	C19	90.0°	179.7°
C18	C17	C16	H13	90.0°	180.0°
C18	C1	C14	H12	90.0°	179.7°
C1	C18	C17	H14	90.0°	179.5°
C19	C1	C14	H12	90.0°	0.1°
C19	C1	C18	H15	90.0°	0.3°
N2	C9	C20	H20	90.0°	180.0°
N2	C9	C20	C21	90.0°	0.0°
C9	N2	C22	C21	90.0°	0.5°
C9	N2	C22	C23	90.0°	179.7°
N2	C9	C20	H8	90.0°	180.0°
C9	N2	C22	H18	90.0°	180.0°
C9	C20	C21	H8	90.0°	179.9°
C9	C20	C21	C22	90.0°	0.3°
C20	C9	N2	C22	90.0°	0.2°
C20	C9	N2	C23	90.0°	179.9°
C9	C20	C21	H17	90.0°	180.0°
C20	C21	C22	H17	90.0°	179.7°
C20	C21	C22	N2	90.0°	0.5°
C20	C21	C22	H18	90.0°	180.0°
C21	C20	C9	H20	90.0°	180.0°
C21	C22	N2	H18	90.0°	179.6°
C21	C22	N2	C23	90.0°	179.9°
C22	C21	C20	H8	90.0°	179.8°
N2	C22	C21	H17	90.0°	179.8°
C22	N2	C9	H20	90.0°	179.7°
N2	C23	C14	H12	90.0°	0.0°
N2	C23	C16	H13	90.0°	0.3°
C23	N2	C22	H18	90.0°	0.3°
C23	N2	C9	H20	90.0°	0.0°
H13	C16	C17	H14	90.0°	0.1°
H14	C17	C18	H15	90.0°	0.5°
H8	C20	C21	H17	90.0°	0.1°
H8	C20	C9	H20	90.0°	0.1°
H17	C21	C22	H18	90.0°	0.2°

Release date:	2016-01-13
Definition date:	2015-12-16
Last modified:	2018-09-24
Release status:	REL
Processing site:	EBI
Derived from:	5CR7