WK5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C10	sing	0.00Å	1.51Å
C12	C10	doub	0.00Å	1.37Å	Aromatic
C12	C13	sing	0.00Å	1.38Å	Aromatic
C10	N8	sing	0.00Å	1.33Å	Aromatic
O23	C13	sing	0.00Å	1.33Å	Aromatic
O23	C16	sing	0.00Å	1.34Å	Aromatic
C13	C14	doub	0.00Å	1.42Å	Aromatic
N8	O9	sing	0.00Å	1.39Å
N8	C7	doub	0.00Å	1.33Å	Aromatic
C16	C17	doub	0.00Å	1.38Å	Aromatic
C16	C15	sing	0.00Å	1.41Å	Aromatic
C17	C18	sing	0.00Å	1.37Å	Aromatic
C14	C7	sing	0.00Å	1.40Å	Aromatic
C14	C15	sing	0.00Å	1.45Å	Aromatic
C7	C6	sing	0.00Å	1.49Å
C15	C22	doub	0.00Å	1.38Å	Aromatic
C18	C19	doub	0.00Å	1.39Å	Aromatic
C6	C5	doub	0.00Å	1.40Å	Aromatic
C6	C24	sing	0.00Å	1.40Å	Aromatic
C22	C19	sing	0.00Å	1.39Å	Aromatic
C5	C4	sing	0.00Å	1.39Å	Aromatic
C19	O20	sing	0.00Å	1.35Å
C24	C25	doub	0.00Å	1.37Å	Aromatic
O20	C21	sing	0.00Å	1.43Å
C4	C3	doub	0.00Å	1.41Å	Aromatic
C25	C3	sing	0.00Å	1.39Å	Aromatic
C3	O2	sing	0.00Å	1.37Å
O2	C1	sing	0.00Å	1.43Å
C1	H1	sing	0.00Å	1.10Å
C1	H2	sing	0.00Å	1.10Å
C1	H3	sing	0.00Å	1.10Å
C4	H4	sing	0.00Å	1.08Å
C5	H5	sing	0.00Å	1.08Å
O9	H6	sing	0.00Å	0.95Å
C11	H7	sing	0.00Å	1.10Å
C11	H8	sing	0.00Å	1.10Å
C11	H9	sing	0.00Å	1.10Å
C12	H10	sing	0.00Å	1.08Å
C17	H11	sing	0.00Å	1.08Å
C18	H12	sing	0.00Å	1.08Å
C21	H13	sing	0.00Å	1.10Å
C21	H14	sing	0.00Å	1.10Å
C21	H15	sing	0.00Å	1.10Å
C24	H16	sing	0.00Å	1.08Å
C22	H17	sing	0.00Å	1.08Å
C25	H18	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C10	C12	118.3°	90.0°
C11	C10	N8	121.2°	90.0°
C10	C11	H7	109.5°	90.0°
C10	C11	H8	109.5°	90.0°
C10	C11	H9	109.5°	90.0°
C10	C12	C13	119.3°	90.0°
C12	C10	N8	120.6°	90.0°
C10	C12	H10	120.4°	90.0°
C12	C13	O23	130.5°	90.0°
C12	C13	C14	119.1°	90.0°
C13	C12	H10	120.4°	90.0°
C10	N8	O9	117.5°	90.0°
C10	N8	C7	123.9°	90.0°
C13	O23	C16	109.4°	90.0°
O23	C13	C14	110.3°	90.0°
O23	C16	C17	129.5°	90.0°
O23	C16	C15	110.5°	90.0°
C13	C14	C7	119.2°	90.0°
C13	C14	C15	104.9°	90.0°
O9	N8	C7	118.6°	90.0°
N8	O9	H6	109.5°	90.0°
N8	C7	C14	117.9°	90.0°
N8	C7	C6	120.8°	90.0°
C17	C16	C15	119.9°	90.0°
C16	C17	C18	120.2°	90.0°
C16	C17	H11	119.9°	90.0°
C16	C15	C14	104.8°	90.0°
C16	C15	C22	120.4°	90.0°
C17	C18	C19	119.9°	90.0°
C18	C17	H11	119.9°	90.0°
C17	C18	H12	120.0°	90.0°
C7	C14	C15	135.9°	90.0°
C14	C7	C6	121.3°	90.0°
C14	C15	C22	134.8°	90.0°
C7	C6	C5	122.7°	90.0°
C7	C6	C24	117.4°	90.0°
C15	C22	C19	118.4°	90.0°
C15	C22	H17	120.8°	90.0°
C18	C19	C22	121.1°	90.0°
C18	C19	O20	117.0°	90.0°
C19	C18	H12	120.1°	90.0°
C5	C6	C24	119.9°	90.0°
C6	C5	C4	119.5°	90.0°
C6	C5	H5	120.2°	90.0°
C6	C24	C25	120.3°	90.0°
C6	C24	H16	119.8°	90.0°
C22	C19	O20	121.9°	90.0°
C19	C22	H17	120.8°	90.0°
C5	C4	C3	120.0°	90.0°
C5	C4	H4	120.0°	90.0°
C4	C5	H5	120.2°	90.0°
C19	O20	C21	120.7°	90.0°
C24	C25	C3	120.6°	90.0°
C25	C24	H16	119.8°	90.0°
C24	C25	H18	119.7°	90.0°
O20	C21	H13	109.5°	90.0°
O20	C21	H14	109.5°	90.0°
O20	C21	H15	109.5°	90.0°
C4	C3	C25	119.6°	90.0°
C4	C3	O2	124.2°	90.0°
C3	C4	H4	120.0°	90.0°
C25	C3	O2	116.1°	90.0°
C3	C25	H18	119.7°	90.0°
C3	O2	C1	120.3°	90.0°
O2	C1	H1	109.5°	90.0°
O2	C1	H2	109.5°	90.0°
O2	C1	H3	109.5°	90.0°
H1	C1	H2	109.5°	90.0°
H1	C1	H3	109.5°	90.0°
H2	C1	H3	109.4°	90.0°
H7	C11	H8	109.5°	90.0°
H7	C11	H9	109.5°	90.0°
H8	C11	H9	109.5°	90.0°
H13	C21	H14	109.5°	90.0°
H13	C21	H15	109.5°	90.0°
H14	C21	H15	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C10	C12	N8	179.0°	90.0°
C11	C10	C12	C13	179.7°	90.0°
C11	C10	N8	O9	0.9°	90.0°
C11	C10	N8	C7	179.9°	90.0°
C10	C11	H7	H8	120.0°	90.0°
C10	C11	H7	H9	120.0°	90.0°
C10	C11	H8	H9	120.0°	90.0°
C11	C10	C12	H10	0.2°	90.0°
C10	C12	C13	H10	180.0°	90.0°
C10	C12	C13	O23	179.2°	90.0°
C10	C12	C13	C14	0.6°	90.0°
C12	C10	N8	O9	178.0°	90.0°
C12	C10	N8	C7	1.0°	90.0°
C12	C10	C11	H7	180.0°	90.0°
C12	C10	C11	H8	60.0°	90.0°
C12	C10	C11	H9	60.0°	90.0°
C13	C12	C10	N8	1.3°	90.0°
C12	C13	O23	C14	178.7°	90.0°
C12	C13	O23	C16	177.5°	90.0°
C12	C13	C14	C7	0.5°	90.0°
C12	C13	C14	C15	178.1°	90.0°
C10	N8	O9	C7	179.1°	90.0°
C10	N8	C7	C14	0.1°	90.0°
C10	N8	C7	C6	179.7°	90.0°
C10	N8	O9	H6	180.0°	90.0°
N8	C10	C11	H7	1.0°	90.0°
N8	C10	C11	H8	118.9°	90.0°
N8	C10	C11	H9	121.1°	90.0°
N8	C10	C12	H10	178.7°	90.0°
C13	O23	C16	C17	175.8°	90.0°
C13	O23	C16	C15	1.2°	90.0°
O23	C13	C14	C7	178.4°	90.0°
O23	C13	C14	C15	0.8°	90.0°
O23	C13	C12	H10	0.8°	90.0°
C16	O23	C13	C14	1.2°	90.0°
O23	C16	C17	C15	176.7°	90.0°
O23	C16	C17	C18	179.0°	90.0°
O23	C16	C15	C14	0.6°	90.0°
O23	C16	C15	C22	179.6°	90.0°
O23	C16	C17	H11	0.9°	90.0°
C13	C14	C7	N8	0.8°	90.0°
C13	C14	C15	C16	0.1°	90.0°
C13	C14	C7	C15	176.7°	90.0°
C13	C14	C7	C6	179.6°	90.0°
C13	C14	C15	C22	178.6°	90.0°
C14	C13	C12	H10	179.5°	90.0°
O9	N8	C7	C14	179.1°	90.0°
O9	N8	C7	C6	1.3°	90.0°
N8	C7	C14	C6	179.6°	90.0°
N8	C7	C14	C15	177.5°	90.0°
N8	C7	C6	C5	69.8°	90.0°
N8	C7	C6	C24	110.1°	90.0°
C7	N8	O9	H6	0.9°	90.0°
C16	C17	C18	H11	180.0°	90.0°
C17	C16	C15	C14	176.6°	90.0°
C17	C16	C15	C22	2.3°	90.0°
C16	C17	C18	C19	1.5°	90.0°
C16	C17	C18	H12	178.5°	90.0°
C15	C16	C17	C18	2.3°	90.0°
C16	C15	C14	C7	177.1°	90.0°
C16	C15	C14	C22	178.7°	90.0°
C16	C15	C22	C19	1.4°	90.0°
C15	C16	C17	H11	177.7°	90.0°
C16	C15	C22	H17	178.6°	90.0°
C17	C18	C19	H12	180.0°	90.0°
C17	C18	C19	C22	0.6°	90.0°
C17	C18	C19	O20	178.4°	90.0°
C7	C14	C15	C22	1.6°	90.0°
C14	C7	C6	C5	110.6°	90.0°
C14	C7	C6	C24	69.5°	90.0°
C15	C14	C7	C6	2.9°	90.0°
C14	C15	C22	C19	177.2°	90.0°
C14	C15	C22	H17	2.8°	90.0°
C7	C6	C5	C24	179.9°	90.0°
C7	C6	C5	C4	179.8°	90.0°
C7	C6	C24	C25	179.4°	90.0°
C7	C6	C5	H5	0.3°	90.0°
C7	C6	C24	H16	0.6°	90.0°
C15	C22	C19	C18	0.5°	90.0°
C15	C22	C19	H17	180.0°	90.0°
C15	C22	C19	O20	178.4°	90.0°
C18	C19	C22	O20	178.9°	90.0°
C18	C19	O20	C21	160.4°	90.0°
C19	C18	C17	H11	178.5°	90.0°
C18	C19	C22	H17	179.5°	90.0°
C6	C5	C4	H5	180.0°	90.0°
C5	C6	C24	C25	0.6°	90.0°
C6	C5	C4	C3	1.1°	90.0°
C6	C5	C4	H4	178.9°	90.0°
C5	C6	C24	H16	179.4°	90.0°
C24	C6	C5	C4	0.3°	90.0°
C6	C24	C25	H16	180.0°	90.0°
C6	C24	C25	C3	0.7°	90.0°
C24	C6	C5	H5	179.7°	90.0°
C6	C24	C25	H18	179.3°	90.0°
C22	C19	O20	C21	18.6°	90.0°
C22	C19	C18	H12	179.4°	90.0°
C5	C4	C3	H4	180.0°	90.0°
C5	C4	C3	C25	1.0°	90.0°
C5	C4	C3	O2	179.8°	90.0°
O20	C19	C18	H12	1.6°	90.0°
C19	O20	C21	H13	180.0°	90.0°
C19	O20	C21	H14	60.0°	90.0°
C19	O20	C21	H15	60.0°	90.0°
O20	C19	C22	H17	1.6°	90.0°
C24	C25	C3	C4	0.1°	90.0°
C24	C25	C3	H18	180.0°	90.0°
C24	C25	C3	O2	179.0°	90.0°
O20	C21	H13	H14	120.0°	90.0°
O20	C21	H13	H15	120.0°	90.0°
O20	C21	H14	H15	120.0°	90.0°
C4	C3	C25	O2	178.9°	90.0°
C4	C3	O2	C1	0.1°	90.0°
C3	C4	C5	H5	178.9°	90.0°
C4	C3	C25	H18	179.9°	90.0°
C25	C3	O2	C1	178.8°	90.0°
C25	C3	C4	H4	179.0°	90.0°
C3	C25	C24	H16	179.3°	90.0°
C3	O2	C1	H1	180.0°	90.0°
C3	O2	C1	H2	60.0°	90.0°
C3	O2	C1	H3	60.0°	90.0°
O2	C3	C4	H4	0.2°	90.0°
O2	C3	C25	H18	1.0°	90.0°
O2	C1	H1	H2	120.0°	90.0°
O2	C1	H1	H3	120.0°	90.0°
O2	C1	H2	H3	120.0°	90.0°
H1	C1	H2	H3	120.0°	90.0°
H4	C4	C5	H5	1.1°	90.0°
H7	C11	H8	H9	120.0°	90.0°
H11	C17	C18	H12	1.5°	90.0°
H13	C21	H14	H15	120.0°	90.0°
H16	C24	C25	H18	0.7°	90.0°

Release date:	2023-08-30
Definition date:	2023-05-16
Last modified:	2023-08-25
Release status:	REL
Processing site:	PDBE
Derived from:	8P1W