05X

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C14	C13	doub	1.38Å	1.36Å	Aromatic
C14	C15	sing	1.39Å	1.36Å	Aromatic
C13	C12	sing	1.40Å	1.39Å	Aromatic
C15	C10	doub	1.39Å	1.38Å	Aromatic
C12	N16	sing	1.39Å	1.45Å
C12	N11	doub	1.32Å	1.35Å	Aromatic
O9	C8	doub	1.21Å	1.18Å
C10	N11	sing	1.33Å	1.36Å	Aromatic
C10	C8	sing	1.47Å	1.54Å
N16	C17	sing	1.35Å	1.46Å
F25	C24	sing	1.35Å	1.36Å
C8	C5	sing	1.51Å	1.55Å
C24	C23	doub	1.38Å	1.39Å	Aromatic
C24	C19	sing	1.40Å	1.39Å	Aromatic
C17	C19	sing	1.47Å	1.53Å
C17	O18	doub	1.22Å	1.19Å
C23	C22	sing	1.39Å	1.39Å	Aromatic
C19	C20	doub	1.40Å	1.39Å	Aromatic
C5	C6	sing	1.53Å	1.49Å
C5	C4	sing	1.53Å	1.52Å
C6	C7	sing	1.53Å	1.51Å
C4	C3	sing	1.53Å	1.54Å
C22	F26	sing	1.35Å	1.37Å
C22	C21	doub	1.39Å	1.39Å	Aromatic
C20	C21	sing	1.38Å	1.39Å	Aromatic
C20	F27	sing	1.35Å	1.36Å
C7	N2	sing	1.47Å	1.46Å
C3	N2	sing	1.47Å	1.49Å
N2	C1	sing	1.47Å	1.43Å
C13	H1	sing	1.08Å	1.08Å
C15	H2	sing	1.08Å	1.08Å
C21	H3	sing	1.08Å	1.08Å
C1	H4	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C3	H8	sing	1.09Å	1.10Å
C3	H9	sing	1.09Å	1.10Å
C4	H10	sing	1.09Å	1.10Å
C4	H11	sing	1.09Å	1.10Å
C5	H12	sing	1.09Å	1.10Å
C6	H13	sing	1.09Å	1.10Å
C6	H14	sing	1.09Å	1.10Å
C7	H15	sing	1.09Å	1.10Å
C7	H16	sing	1.09Å	1.10Å
C14	H17	sing	1.08Å	1.08Å
N16	H18	sing	0.97Å	1.00Å
C23	H19	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C13	C14	C15	120.0°	118.6°
C14	C13	C12	120.0°	119.3°
C14	C13	H1	120.0°	120.4°
C13	C14	H17	120.0°	120.7°
C14	C15	C10	119.9°	119.2°
C14	C15	H2	120.0°	120.4°
C15	C14	H17	120.0°	120.8°
C13	C12	N16	119.9°	119.6°
C13	C12	N11	120.0°	120.8°
C12	C13	H1	120.0°	120.3°
C15	C10	N11	120.1°	120.6°
C15	C10	C8	119.9°	119.7°
C10	C15	H2	120.0°	120.4°
N16	C12	N11	120.2°	119.6°
C12	N16	C17	120.3°	120.0°
C12	N16	H18	119.9°	120.0°
C12	N11	C10	120.0°	121.5°
O9	C8	C10	120.1°	119.9°
O9	C8	C5	120.0°	120.0°
N11	C10	C8	120.0°	119.7°
C10	C8	C5	119.9°	120.0°
N16	C17	C19	119.9°	120.0°
N16	C17	O18	120.0°	120.0°
C17	N16	H18	119.8°	120.0°
F25	C24	C23	120.0°	120.1°
F25	C24	C19	120.0°	120.1°
C8	C5	C6	109.3°	109.5°
C8	C5	C4	109.1°	109.6°
C8	C5	H12	109.1°	109.6°
C23	C24	C19	120.0°	119.8°
C24	C23	C22	120.0°	120.1°
C24	C23	H19	120.0°	119.9°
C24	C19	C17	119.9°	120.1°
C24	C19	C20	120.0°	119.7°
C19	C17	O18	120.1°	120.0°
C17	C19	C20	120.1°	120.1°
C23	C22	F26	120.0°	119.8°
C23	C22	C21	120.0°	120.4°
C22	C23	H19	120.0°	120.0°
C19	C20	C21	120.0°	119.8°
C19	C20	F27	120.0°	120.1°
C6	C5	C4	110.0°	109.2°
C5	C6	C7	114.1°	109.3°
C6	C5	H12	109.9°	109.5°
C5	C6	H13	108.3°	109.5°
C5	C6	H14	108.3°	109.5°
C5	C4	C3	112.5°	109.3°
C5	C4	H10	108.7°	109.5°
C5	C4	H11	108.7°	109.6°
C4	C5	H12	109.4°	109.5°
C6	C7	N2	115.8°	109.6°
C7	C6	H13	108.3°	109.5°
C7	C6	H14	108.3°	109.5°
C6	C7	H15	107.9°	109.5°
C6	C7	H16	107.9°	109.5°
C4	C3	N2	114.7°	109.5°
C4	C3	H8	108.2°	109.5°
C4	C3	H9	108.2°	109.5°
C3	C4	H10	108.7°	109.5°
C3	C4	H11	108.7°	109.5°
F26	C22	C21	120.0°	119.8°
C22	C21	C20	120.0°	120.2°
C22	C21	H3	120.0°	119.9°
C21	C20	F27	120.0°	120.1°
C20	C21	H3	120.0°	119.9°
C7	N2	C3	109.6°	111.2°
C7	N2	C1	109.2°	111.0°
N2	C7	H15	107.9°	109.5°
N2	C7	H16	107.8°	109.4°
C3	N2	C1	109.6°	111.0°
N2	C3	H8	108.1°	109.4°
N2	C3	H9	108.1°	109.5°
N2	C1	H4	109.5°	109.5°
N2	C1	H5	109.5°	109.5°
N2	C1	H6	109.5°	109.5°
H4	C1	H5	109.5°	109.4°
H4	C1	H6	109.5°	109.5°
H5	C1	H6	109.5°	109.4°
H8	C3	H9	109.4°	109.4°
H10	C4	H11	109.4°	109.6°
H13	C6	H14	109.5°	109.6°
H15	C7	H16	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C13	C14	C15	H17	180.0°	179.3°
C14	C13	C12	H1	180.0°	180.0°
C13	C14	C15	C10	0.0°	0.5°
C14	C13	C12	N16	180.0°	179.9°
C14	C13	C12	N11	0.0°	0.5°
C13	C14	C15	H2	180.0°	179.5°
C15	C14	C13	C12	0.0°	0.7°
C14	C15	C10	H2	180.0°	180.0°
C14	C15	C10	N11	0.0°	0.0°
C14	C15	C10	C8	180.0°	179.8°
C15	C14	C13	H1	180.0°	179.3°
C13	C12	N16	N11	180.0°	179.4°
C13	C12	N11	C10	0.0°	0.1°
C13	C12	N16	C17	141.5°	174.8°
C12	C13	C14	H17	180.0°	180.0°
C13	C12	N16	H18	38.5°	5.1°
C15	C10	N11	C12	0.0°	0.2°
C15	C10	C8	O9	44.3°	0.2°
C15	C10	N11	C8	179.9°	179.8°
C15	C10	C8	C5	135.7°	179.7°
C10	C15	C14	H17	180.0°	179.8°
N16	C12	N11	C10	180.0°	179.5°
C12	N16	C17	H18	180.0°	180.0°
C12	N16	C17	C19	179.9°	174.8°
C12	N16	C17	O18	0.0°	5.2°
N16	C12	C13	H1	0.0°	0.0°
C12	N11	C10	C8	180.0°	180.0°
N11	C12	N16	C17	38.5°	5.8°
N11	C12	C13	H1	180.0°	179.4°
N11	C12	N16	H18	141.5°	174.3°
O9	C8	C10	N11	135.8°	180.0°
O9	C8	C10	C5	180.0°	180.0°
O9	C8	C5	C6	13.9°	100.4°
O9	C8	C5	C4	134.1°	19.3°
O9	C8	C5	H12	106.3°	139.5°
N11	C10	C8	C5	44.2°	0.1°
N11	C10	C15	H2	180.0°	180.0°
C10	C8	C5	C6	166.1°	79.6°
C10	C8	C5	C4	45.9°	160.7°
C8	C10	C15	H2	0.0°	0.2°
C10	C8	C5	H12	73.7°	40.5°
N16	C17	C19	C24	28.3°	90.0°
N16	C17	C19	O18	179.9°	180.0°
N16	C17	C19	C20	151.8°	90.0°
F25	C24	C23	C19	180.0°	179.1°
F25	C24	C19	C17	0.1°	0.3°
F25	C24	C23	C22	180.0°	180.0°
F25	C24	C19	C20	180.0°	179.7°
F25	C24	C23	H19	0.0°	0.9°
C8	C5	C6	C4	119.8°	119.9°
C8	C5	C6	H12	119.7°	120.2°
C8	C5	C4	H12	119.3°	120.2°
C8	C5	C6	C7	174.1°	62.3°
C8	C5	C4	C3	162.3°	62.2°
C8	C5	C4	H10	77.2°	57.6°
C8	C5	C4	H11	41.9°	177.8°
C8	C5	C6	H13	53.4°	57.6°
C8	C5	C6	H14	65.2°	177.8°
C23	C24	C19	C17	180.0°	179.4°
C24	C23	C22	H19	180.0°	179.1°
C23	C24	C19	C20	0.1°	0.6°
C24	C23	C22	F26	180.0°	179.4°
C24	C23	C22	C21	0.0°	0.6°
C24	C19	C17	C20	179.9°	179.9°
C24	C19	C17	O18	151.6°	90.0°
C19	C24	C23	C22	0.1°	0.9°
C24	C19	C20	C21	0.0°	0.0°
C24	C19	C20	F27	180.0°	179.7°
C19	C24	C23	H19	179.9°	180.0°
C17	C19	C20	C21	179.9°	179.9°
C17	C19	C20	F27	0.1°	0.2°
C19	C17	N16	H18	0.1°	5.2°
O18	C17	C19	C20	28.3°	90.0°
O18	C17	N16	H18	180.0°	174.8°
C23	C22	F26	C21	180.0°	180.0°
C23	C22	C21	C20	0.0°	0.0°
C23	C22	C21	H3	180.0°	179.9°
C19	C20	C21	C22	0.0°	0.3°
C19	C20	C21	F27	180.0°	179.7°
C19	C20	C21	H3	180.0°	179.8°
C6	C5	C4	H12	120.8°	119.9°
C5	C6	C7	H13	120.7°	119.9°
C5	C6	C7	H14	120.7°	120.0°
C6	C5	C4	C3	42.4°	57.7°
C5	C6	C7	N2	9.9°	59.2°
C6	C5	C4	H10	162.9°	177.6°
C6	C5	C4	H11	78.1°	62.2°
C5	C6	H13	H14	117.9°	120.1°
C5	C6	C7	H15	130.8°	179.2°
C5	C6	C7	H16	111.0°	60.8°
C4	C5	C6	C7	54.4°	57.7°
C5	C4	C3	H10	120.5°	119.9°
C5	C4	C3	H11	120.5°	120.0°
C5	C4	C3	N2	11.3°	59.2°
C5	C4	C3	H8	132.1°	60.8°
C5	C4	C3	H9	109.5°	179.3°
C5	C4	H10	H11	118.6°	120.2°
C4	C5	C6	H13	66.3°	177.6°
C4	C5	C6	H14	175.1°	62.3°
C6	C7	N2	H15	120.9°	120.1°
C6	C7	N2	H16	120.9°	120.0°
C6	C7	N2	C3	44.6°	61.7°
C6	C7	N2	C1	164.6°	174.2°
C7	C6	C5	H12	66.2°	177.5°
C7	C6	H13	H14	117.9°	120.1°
C6	C7	H15	H16	117.2°	120.0°
C4	C3	N2	C7	55.6°	61.7°
C4	C3	N2	H8	120.8°	120.1°
C4	C3	N2	H9	120.8°	120.1°
C4	C3	N2	C1	175.5°	174.2°
C4	C3	H8	H9	117.6°	120.0°
C3	C4	H10	H11	118.6°	120.1°
C3	C4	C5	H12	78.4°	177.6°
F26	C22	C21	C20	180.0°	180.0°
F26	C22	C21	H3	0.0°	0.0°
F26	C22	C23	H19	0.0°	0.3°
C22	C21	C20	H3	180.0°	179.9°
C22	C21	C20	F27	180.0°	180.0°
C21	C22	C23	H19	180.0°	179.7°
F27	C20	C21	H3	0.0°	0.1°
C7	N2	C3	C1	119.9°	124.1°
C7	N2	C1	H4	180.0°	64.2°
C7	N2	C1	H5	60.0°	55.8°
C7	N2	C1	H6	60.0°	175.7°
C7	N2	C3	H8	176.4°	58.3°
C7	N2	C3	H9	65.2°	178.2°
N2	C7	C6	H13	110.8°	179.1°
N2	C7	C6	H14	130.6°	60.8°
N2	C7	H15	H16	117.1°	119.9°
C3	N2	C1	H4	59.9°	60.1°
C3	N2	C1	H5	60.1°	180.0°
C3	N2	C1	H6	179.9°	60.0°
N2	C3	H8	H9	117.6°	120.0°
N2	C3	C4	H10	109.1°	179.1°
N2	C3	C4	H11	131.8°	60.8°
C3	N2	C7	H15	76.4°	178.2°
C3	N2	C7	H16	165.5°	58.3°
N2	C1	H4	H5	120.0°	120.0°
N2	C1	H4	H6	120.0°	120.1°
N2	C1	H5	H6	120.0°	120.0°
C1	N2	C3	H8	63.7°	65.8°
C1	N2	C3	H9	54.7°	54.1°
C1	N2	C7	H15	43.7°	54.1°
C1	N2	C7	H16	74.5°	65.8°
H1	C13	C14	H17	0.0°	0.0°
H2	C15	C14	H17	0.0°	0.2°
H4	C1	H5	H6	120.0°	120.0°
H8	C3	C4	H10	11.6°	59.1°
H8	C3	C4	H11	107.4°	179.2°
H9	C3	C4	H10	130.1°	60.9°
H9	C3	C4	H11	11.0°	59.3°
H10	C4	C5	H12	42.1°	62.6°
H11	C4	C5	H12	161.2°	57.6°
H12	C5	C6	H13	173.2°	62.5°
H12	C5	C6	H14	54.5°	57.6°
H13	C6	C7	H15	10.1°	60.9°
H13	C6	C7	H16	128.3°	59.1°
H14	C6	C7	H15	108.5°	59.3°
H14	C6	C7	H16	9.7°	179.2°

Release date:	2021-08-04
Definition date:	2021-06-04
Last modified:	2021-07-30
Release status:	REL
Processing site:	PDBJ
Derived from:	7EXD