WID

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N27	C28	doub	1.31Å	1.27Å	Aromatic
N27	N26	sing	1.40Å	1.35Å	Aromatic
C28	C29	sing	1.40Å	1.47Å	Aromatic
N26	C13	sing	1.36Å	1.29Å	Aromatic
C13	C29	doub	1.37Å	1.33Å	Aromatic
C13	C10	sing	1.48Å	1.50Å
C10	C11	doub	1.40Å	1.39Å	Aromatic
C10	C9	sing	1.39Å	1.40Å	Aromatic
C11	C12	sing	1.38Å	1.40Å	Aromatic
C9	N8	doub	1.32Å	1.35Å	Aromatic
O25	C24	sing	1.43Å	1.43Å
C12	F16	sing	1.35Å	1.33Å
C12	C7	doub	1.39Å	1.39Å	Aromatic
C24	C22	sing	1.53Å	1.55Å
N23	C22	sing	1.47Å	1.48Å
N8	C7	sing	1.32Å	1.34Å	Aromatic
C7	O6	sing	1.36Å	1.38Å
C22	C21	sing	1.53Å	1.54Å
C4	C3	doub	1.38Å	1.38Å	Aromatic
C4	C5	sing	1.39Å	1.39Å	Aromatic
C3	C14	sing	1.39Å	1.39Å	Aromatic
O6	C5	sing	1.36Å	1.38Å
C5	C1	doub	1.39Å	1.40Å	Aromatic
C21	N19	sing	1.46Å	1.45Å
N20	N19	sing	1.40Å	1.34Å	Aromatic
N20	C15	doub	1.32Å	1.26Å	Aromatic
N19	C18	sing	1.35Å	1.31Å	Aromatic
C14	C15	sing	1.48Å	1.50Å
C14	C2	doub	1.39Å	1.40Å	Aromatic
C15	C17	sing	1.41Å	1.46Å	Aromatic
C1	C2	sing	1.38Å	1.39Å	Aromatic
C18	C17	doub	1.35Å	1.34Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C11	H4	sing	1.08Å	1.08Å
C17	H5	sing	1.08Å	1.08Å
C18	H6	sing	1.08Å	1.08Å
C21	H7	sing	1.09Å	1.10Å
C21	H8	sing	1.09Å	1.10Å
C22	H9	sing	1.09Å	1.10Å
C24	H10	sing	1.09Å	1.10Å
C24	H11	sing	1.09Å	1.10Å
C28	H12	sing	1.08Å	1.08Å
C29	H13	sing	1.08Å	1.08Å
C4	H14	sing	1.08Å	1.08Å
C9	H15	sing	1.08Å	1.08Å
N23	H16	sing	1.01Å	1.00Å
N23	H17	sing	1.01Å	1.00Å
O25	H19	sing	0.97Å	0.95Å
N26	H20	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C28	N27	N26	111.1°	108.5°
N27	C28	C29	104.8°	108.6°
N27	C28	H12	127.6°	125.7°
N27	N26	C13	109.5°	107.7°
N27	N26	H20	125.3°	126.1°
C28	C29	C13	105.9°	107.8°
C29	C28	H12	127.6°	125.7°
C28	C29	H13	127.1°	126.1°
N26	C13	C29	108.8°	107.3°
N26	C13	C10	126.9°	126.3°
C13	N26	H20	125.3°	126.1°
C29	C13	C10	124.3°	126.3°
C13	C29	H13	127.0°	126.1°
C13	C10	C11	121.8°	120.5°
C13	C10	C9	119.7°	120.5°
C11	C10	C9	118.5°	119.0°
C10	C11	C12	118.9°	118.4°
C10	C11	H4	120.5°	120.8°
C10	C9	N8	121.5°	120.7°
C10	C9	H15	119.2°	119.7°
C11	C12	F16	120.5°	120.4°
C11	C12	C7	120.1°	119.2°
C12	C11	H4	120.5°	120.9°
C9	N8	C7	120.8°	121.8°
N8	C9	H15	119.3°	119.6°
O25	C24	C22	107.5°	109.4°
O25	C24	H10	110.0°	109.5°
O25	C24	H11	110.0°	109.5°
C24	O25	H19	109.5°	114.0°
F16	C12	C7	119.4°	120.4°
C12	C7	N8	120.2°	120.9°
C12	C7	O6	119.2°	119.6°
C24	C22	N23	108.8°	109.5°
C24	C22	C21	109.1°	109.5°
C24	C22	H9	108.0°	109.4°
C22	C24	H10	110.0°	109.5°
C22	C24	H11	110.0°	109.4°
N23	C22	C21	113.5°	109.5°
N23	C22	H9	109.0°	109.5°
C22	N23	H16	109.5°	111.0°
C22	N23	H17	109.5°	111.0°
N8	C7	O6	120.6°	119.6°
C7	O6	C5	118.8°	118.0°
C22	C21	N19	115.0°	109.5°
C22	C21	H7	108.1°	109.4°
C22	C21	H8	108.1°	109.5°
C21	C22	H9	108.2°	109.5°
C3	C4	C5	119.2°	120.1°
C4	C3	C14	120.1°	119.9°
C4	C3	H3	120.0°	120.1°
C3	C4	H14	120.4°	119.9°
C4	C5	O6	118.8°	120.0°
C4	C5	C1	121.0°	120.1°
C5	C4	H14	120.3°	119.9°
C3	C14	C15	116.2°	120.1°
C3	C14	C2	120.7°	119.9°
C14	C3	H3	119.9°	120.0°
O6	C5	C1	120.1°	119.9°
C5	C1	C2	119.5°	120.0°
C5	C1	H1	120.2°	120.0°
C21	N19	N20	124.2°	125.9°
C21	N19	C18	126.1°	125.9°
N19	C21	H7	108.1°	109.5°
N19	C21	H8	108.1°	109.5°
N19	N20	C15	109.6°	108.1°
N20	N19	C18	109.4°	108.2°
N20	C15	C14	122.0°	126.0°
N20	C15	C17	107.6°	107.9°
N19	C18	C17	109.3°	108.0°
N19	C18	H6	125.3°	126.0°
C15	C14	C2	122.9°	120.0°
C14	C15	C17	130.4°	126.1°
C14	C2	C1	119.1°	119.9°
C14	C2	H2	120.4°	120.1°
C15	C17	C18	104.0°	107.9°
C15	C17	H5	128.0°	126.1°
C2	C1	H1	120.3°	120.0°
C1	C2	H2	120.4°	120.0°
C18	C17	H5	128.0°	126.0°
C17	C18	H6	125.3°	126.0°
H7	C21	H8	109.5°	109.5°
H10	C24	H11	109.5°	109.5°
H16	N23	H17	109.5°	111.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N27	C28	C29	H12	180.0°	179.5°
C28	N27	N26	C13	0.4°	0.3°
N27	C28	C29	C13	2.0°	0.5°
N27	C28	C29	H13	178.0°	179.5°
C28	N27	N26	H20	179.6°	179.7°
N26	N27	C28	C29	1.5°	0.5°
N27	N26	C13	H20	180.0°	179.9°
N27	N26	C13	C29	1.0°	0.1°
N27	N26	C13	C10	179.4°	179.7°
N26	N27	C28	H12	178.6°	180.0°
C28	C29	C13	N26	1.8°	0.2°
C28	C29	C13	H13	180.0°	180.0°
C28	C29	C13	C10	178.5°	180.0°
N26	C13	C29	C10	179.7°	179.7°
N26	C13	C10	C11	30.7°	0.3°
N26	C13	C10	C9	148.3°	179.2°
N26	C13	C29	H13	178.2°	179.7°
C29	C13	C10	C11	148.9°	180.0°
C29	C13	C10	C9	32.1°	0.5°
C13	C29	C28	H12	178.0°	180.0°
C29	C13	N26	H20	179.1°	180.0°
C13	C10	C11	C9	179.0°	179.5°
C13	C10	C11	C12	179.4°	180.0°
C13	C10	C9	N8	178.4°	180.0°
C13	C10	C11	H4	0.7°	0.3°
C10	C13	C29	H13	1.5°	0.0°
C13	C10	C9	H15	1.6°	0.2°
C10	C13	N26	H20	0.6°	0.2°
C10	C11	C12	H4	180.0°	179.7°
C11	C10	C9	N8	2.6°	0.5°
C10	C11	C12	F16	177.8°	179.8°
C10	C11	C12	C7	0.2°	0.3°
C11	C10	C9	H15	177.4°	179.8°
C9	C10	C11	C12	1.6°	0.5°
C10	C9	N8	H15	180.0°	179.7°
C10	C9	N8	C7	2.0°	0.3°
C9	C10	C11	H4	178.3°	179.8°
C11	C12	F16	C7	178.0°	179.9°
C11	C12	C7	N8	0.4°	0.1°
C11	C12	C7	O6	177.7°	180.0°
C9	N8	C7	C12	0.5°	0.1°
C9	N8	C7	O6	178.5°	180.0°
O25	C24	C22	H10	119.7°	120.1°
O25	C24	C22	H11	119.7°	119.9°
O25	C24	C22	N23	99.4°	65.0°
O25	C24	C22	C21	136.2°	175.0°
O25	C24	C22	H9	18.8°	55.1°
O25	C24	H10	H11	120.9°	120.0°
F16	C12	C7	N8	178.5°	180.0°
F16	C12	C7	O6	0.4°	0.1°
F16	C12	C11	H4	2.2°	0.1°
C12	C7	N8	O6	178.1°	179.9°
C12	C7	O6	C5	129.6°	174.1°
C7	C12	C11	H4	179.8°	180.0°
C24	C22	N23	C21	121.7°	120.0°
C24	C22	N23	H9	117.6°	120.0°
C24	C22	C21	H9	117.3°	119.9°
C24	C22	C21	N19	148.4°	175.0°
C24	C22	C21	H7	27.6°	65.0°
C24	C22	C21	H8	90.8°	55.0°
C22	C24	H10	H11	120.9°	120.0°
C24	C22	N23	H16	180.0°	64.0°
C24	C22	N23	H17	60.0°	60.0°
C22	C24	O25	H19	180.0°	180.0°
N23	C22	C21	H9	121.2°	120.1°
N23	C22	C21	N19	26.9°	65.0°
N23	C22	C21	H7	93.9°	55.0°
N23	C22	C21	H8	147.7°	175.0°
N23	C22	C24	H10	20.3°	175.0°
N23	C22	C24	H11	140.9°	55.0°
C22	N23	H16	H17	120.0°	124.0°
N8	C7	O6	C5	52.3°	6.0°
C7	N8	C9	H15	178.0°	180.0°
C7	O6	C5	C4	56.1°	109.6°
C7	O6	C5	C1	127.1°	71.0°
C22	C21	N19	H7	120.8°	120.0°
C22	C21	N19	H8	120.8°	120.0°
C22	C21	N19	N20	81.1°	54.8°
C22	C21	N19	C18	105.7°	125.0°
C22	C21	H7	H8	117.5°	120.0°
C21	C22	C24	H10	104.1°	55.0°
C21	C22	C24	H11	16.6°	65.0°
C21	C22	N23	H16	58.4°	176.0°
C21	C22	N23	H17	178.4°	60.0°
C3	C4	C5	H14	180.0°	179.1°
C4	C3	C14	H3	180.0°	179.4°
C3	C4	C5	O6	179.1°	180.0°
C3	C4	C5	C1	4.2°	0.6°
C4	C3	C14	C15	179.8°	179.5°
C4	C3	C14	C2	4.3°	0.6°
C5	C4	C3	C14	5.3°	0.8°
C4	C5	O6	C1	176.8°	179.4°
C4	C5	C1	C2	1.8°	0.1°
C4	C5	C1	H1	178.2°	179.8°
C5	C4	C3	H3	174.7°	179.7°
C3	C14	C15	N20	39.7°	0.3°
C3	C14	C15	C2	175.5°	179.9°
C3	C14	C15	C17	139.8°	180.0°
C3	C14	C2	C1	1.9°	0.1°
C3	C14	C2	H2	178.1°	180.0°
C14	C3	C4	H14	174.7°	180.0°
O6	C5	C1	C2	178.6°	179.5°
O6	C5	C1	H1	1.4°	0.4°
O6	C5	C4	H14	1.0°	0.9°
C5	C1	C2	C14	0.7°	0.2°
C5	C1	C2	H1	180.0°	179.8°
C5	C1	C2	H2	179.3°	179.7°
C1	C5	C4	H14	175.8°	179.7°
C21	N19	N20	C18	174.1°	179.8°
C21	N19	N20	C15	176.4°	179.8°
C21	N19	C18	C17	176.7°	179.9°
C21	N19	C18	H6	3.3°	0.0°
N19	C21	H7	H8	117.5°	120.0°
N19	C21	C22	H9	94.3°	55.1°
N19	N20	C15	C14	178.7°	179.9°
N19	N20	C15	C17	0.9°	0.3°
N20	N19	C18	C17	2.7°	0.2°
N20	N19	C18	H6	177.3°	179.9°
N20	N19	C21	H7	39.6°	174.8°
N20	N19	C21	H8	158.1°	65.2°
C15	N20	N19	C18	2.3°	0.3°
N20	C15	C14	C17	179.5°	179.7°
N20	C15	C14	C2	135.7°	179.8°
N20	C15	C17	C18	0.6°	0.2°
N20	C15	C17	H5	179.4°	179.8°
N19	C18	C17	C15	2.0°	0.0°
N19	C18	C17	H6	180.0°	179.9°
N19	C18	C17	H5	178.0°	180.0°
C18	N19	C21	H7	133.5°	5.0°
C18	N19	C21	H8	15.1°	115.0°
C15	C14	C2	C1	177.2°	180.0°
C14	C15	C17	C18	179.8°	179.9°
C15	C14	C2	H2	2.8°	0.1°
C15	C14	C3	H3	0.2°	0.0°
C14	C15	C17	H5	0.2°	0.0°
C2	C14	C15	C17	44.7°	0.0°
C14	C2	C1	H2	180.0°	179.9°
C14	C2	C1	H1	179.3°	180.0°
C2	C14	C3	H3	175.8°	180.0°
C15	C17	C18	H5	180.0°	180.0°
C15	C17	C18	H6	178.0°	179.9°
H1	C1	C2	H2	0.7°	0.1°
H3	C3	C4	H14	5.3°	0.6°
H5	C17	C18	H6	2.0°	0.1°
H7	C21	C22	H9	144.9°	175.1°
H8	C21	C22	H9	26.5°	65.0°
H9	C22	C24	H10	138.5°	65.0°
H9	C22	C24	H11	100.8°	175.0°
H9	C22	N23	H16	62.4°	56.0°
H9	C22	N23	H17	57.7°	180.0°
H10	C24	O25	H19	60.3°	60.0°
H11	C24	O25	H19	60.3°	60.1°
H12	C28	C29	H13	2.0°	0.0°

Release date:	2023-12-06
Definition date:	2023-10-04
Last modified:	2023-12-01
Release status:	REL
Processing site:	PDBE
Derived from:	8QOW