4R5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F24	C14	sing	1.35Å	1.33Å
C14	C13	doub	1.38Å	1.39Å	Aromatic
C14	C9	sing	1.39Å	1.39Å	Aromatic
N8	C9	sing	1.40Å	1.37Å
N8	C7	sing	1.35Å	1.36Å
C13	C12	sing	1.39Å	1.39Å	Aromatic
O25	C26	sing	1.43Å	1.44Å
O25	C17	sing	1.36Å	1.38Å
N6	C7	sing	1.35Å	1.35Å
N6	C2	sing	1.40Å	1.36Å
C9	C10	doub	1.39Å	1.39Å	Aromatic
S1	C2	sing	1.76Å	1.73Å	Aromatic
S1	C5	sing	1.71Å	1.75Å	Aromatic
C16	C17	doub	1.39Å	1.41Å	Aromatic
C16	C15	sing	1.39Å	1.40Å	Aromatic
C7	O21	doub	1.22Å	1.24Å
C2	C3	doub	1.34Å	1.39Å	Aromatic
C17	C18	sing	1.39Å	1.40Å	Aromatic
C12	C15	sing	1.48Å	1.48Å
C12	C11	doub	1.39Å	1.41Å	Aromatic
C10	C11	sing	1.38Å	1.40Å	Aromatic
C10	F22	sing	1.35Å	1.33Å
C15	C20	doub	1.39Å	1.40Å	Aromatic
C5	N4	doub	1.29Å	1.37Å	Aromatic
C3	N4	sing	1.32Å	1.37Å	Aromatic
C18	C19	doub	1.38Å	1.40Å	Aromatic
C20	C19	sing	1.38Å	1.39Å	Aromatic
C3	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C11	H3	sing	1.08Å	1.08Å
C13	H4	sing	1.08Å	1.08Å
C16	H5	sing	1.08Å	1.08Å
C18	H6	sing	1.08Å	1.08Å
C19	H7	sing	1.08Å	1.08Å
C26	H8	sing	1.09Å	1.10Å
C26	H9	sing	1.09Å	1.10Å
C26	H10	sing	1.09Å	1.10Å
N6	H11	sing	0.97Å	1.00Å
N8	H12	sing	0.97Å	1.00Å
C20	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F24	C14	C13	119.9°	120.0°
F24	C14	C9	119.2°	120.0°
C13	C14	C9	120.9°	120.0°
C14	C13	C12	120.6°	120.0°
C14	C13	H4	119.7°	120.0°
C14	C9	N8	118.9°	120.0°
C14	C9	C10	118.2°	120.1°
C9	N8	C7	121.6°	120.0°
N8	C9	C10	122.9°	119.9°
C9	N8	H12	119.2°	120.0°
N8	C7	N6	118.6°	120.0°
N8	C7	O21	121.5°	120.0°
C7	N8	H12	119.2°	120.0°
C13	C12	C15	116.9°	120.0°
C13	C12	C11	119.6°	119.9°
C12	C13	H4	119.7°	120.0°
C26	O25	C17	120.5°	117.0°
O25	C26	H8	109.5°	109.5°
O25	C26	H9	109.4°	109.4°
O25	C26	H10	109.5°	109.5°
O25	C17	C16	119.2°	120.0°
O25	C17	C18	120.2°	120.0°
C7	N6	C2	120.9°	120.0°
N6	C7	O21	119.9°	120.0°
C7	N6	H11	119.6°	120.0°
N6	C2	S1	118.6°	126.1°
N6	C2	C3	133.2°	126.1°
C2	N6	H11	119.6°	120.0°
C9	C10	C11	122.0°	120.0°
C9	C10	F22	118.0°	120.0°
C2	S1	C5	94.3°	90.4°
S1	C2	C3	108.2°	107.8°
S1	C5	N4	107.0°	110.3°
S1	C5	H2	126.5°	124.9°
C17	C16	C15	119.5°	119.9°
C16	C17	C18	120.6°	120.0°
C17	C16	H5	120.2°	120.1°
C16	C15	C12	124.4°	120.1°
C16	C15	C20	119.2°	119.8°
C15	C16	H5	120.2°	120.1°
C2	C3	N4	113.8°	114.4°
C2	C3	H1	123.1°	122.8°
C17	C18	C19	119.8°	120.2°
C17	C18	H6	120.1°	119.9°
C15	C12	C11	123.3°	120.1°
C12	C15	C20	116.2°	120.1°
C12	C11	C10	118.7°	120.0°
C12	C11	H3	120.7°	120.0°
C11	C10	F22	120.0°	120.0°
C10	C11	H3	120.7°	120.0°
C15	C20	C19	121.3°	120.0°
C15	C20	H13	119.3°	120.0°
C5	N4	C3	116.7°	117.2°
N4	C5	H2	126.5°	124.8°
N4	C3	H1	123.1°	122.8°
C18	C19	C20	119.5°	120.2°
C19	C18	H6	120.1°	119.9°
C18	C19	H7	120.2°	119.9°
C20	C19	H7	120.2°	119.9°
C19	C20	H13	119.3°	120.0°
H8	C26	H9	109.5°	109.4°
H8	C26	H10	109.5°	109.5°
H9	C26	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F24	C14	C13	C9	179.8°	179.7°
F24	C14	C9	N8	0.1°	0.1°
F24	C14	C13	C12	179.1°	180.0°
F24	C14	C9	C10	179.5°	180.0°
F24	C14	C13	H4	0.8°	0.0°
C13	C14	C9	N8	179.6°	179.8°
C14	C13	C12	H4	180.0°	180.0°
C13	C14	C9	C10	0.7°	0.3°
C14	C13	C12	C15	176.2°	180.0°
C14	C13	C12	C11	1.8°	0.0°
C14	C9	N8	C10	179.6°	179.9°
C14	C9	N8	C7	119.6°	89.1°
C9	C14	C13	C12	1.1°	0.3°
C14	C9	C10	C11	1.2°	0.0°
C14	C9	C10	F22	180.0°	180.0°
C9	C14	C13	H4	178.9°	179.7°
C14	C9	N8	H12	60.4°	90.9°
C9	N8	C7	H12	180.0°	180.0°
C9	N8	C7	N6	178.4°	174.9°
C9	N8	C7	O21	3.2°	5.1°
N8	C9	C10	C11	179.2°	180.0°
N8	C9	C10	F22	0.3°	0.0°
N8	C7	N6	O21	178.4°	180.0°
N8	C7	N6	C2	164.0°	180.0°
C7	N8	C9	C10	60.8°	91.0°
N8	C7	N6	H11	16.1°	0.0°
C13	C12	C15	C16	42.9°	179.7°
C13	C12	C15	C11	174.1°	180.0°
C13	C12	C11	C10	2.2°	0.3°
C13	C12	C15	C20	131.0°	0.1°
C13	C12	C11	H3	177.8°	179.9°
C26	O25	C17	C16	179.6°	180.0°
C26	O25	C17	C18	0.4°	0.1°
O25	C26	H8	H9	120.0°	119.9°
O25	C26	H8	H10	120.0°	120.1°
O25	C26	H9	H10	120.0°	120.0°
O25	C17	C16	C18	179.2°	179.9°
O25	C17	C16	C15	178.9°	180.0°
O25	C17	C18	C19	179.9°	180.0°
O25	C17	C16	H5	1.1°	0.0°
O25	C17	C18	H6	0.1°	0.0°
C17	O25	C26	H8	180.0°	59.9°
C17	O25	C26	H9	60.0°	60.0°
C17	O25	C26	H10	60.0°	179.9°
C7	N6	C2	H11	180.0°	180.0°
C7	N6	C2	S1	177.5°	0.3°
C7	N6	C2	C3	1.7°	180.0°
N6	C7	N8	H12	1.6°	5.1°
N6	C2	S1	C3	179.4°	179.8°
N6	C2	S1	C5	179.5°	179.8°
C2	N6	C7	O21	14.4°	0.0°
N6	C2	C3	N4	179.3°	179.8°
N6	C2	C3	H1	0.7°	0.3°
C9	C10	C11	C12	1.9°	0.3°
C9	C10	C11	F22	178.9°	180.0°
C9	C10	C11	H3	178.1°	179.9°
C10	C9	N8	H12	119.2°	89.0°
C2	S1	C5	N4	0.4°	0.0°
S1	C2	C3	N4	1.4°	0.0°
S1	C2	C3	H1	178.7°	180.0°
C2	S1	C5	H2	179.5°	179.9°
S1	C2	N6	H11	2.5°	179.7°
C5	S1	C2	C3	1.0°	0.0°
S1	C5	N4	H2	180.0°	179.9°
S1	C5	N4	C3	0.3°	0.0°
C17	C16	C15	H5	180.0°	180.0°
C17	C16	C15	C12	177.1°	179.7°
C17	C16	C15	C20	3.3°	0.1°
C16	C17	C18	C19	0.7°	0.1°
C16	C17	C18	H6	179.3°	179.9°
C15	C16	C17	C18	1.9°	0.1°
C16	C15	C12	C20	174.0°	179.6°
C16	C15	C12	C11	143.0°	0.3°
C16	C15	C20	C19	3.7°	0.1°
C16	C15	C20	H13	176.3°	180.0°
O21	C7	N6	H11	165.5°	180.0°
O21	C7	N8	H12	176.8°	175.0°
C2	C3	N4	C5	1.1°	0.0°
C2	C3	N4	H1	180.0°	180.0°
C3	C2	N6	H11	178.2°	0.0°
C17	C18	C19	H6	180.0°	180.0°
C17	C18	C19	C20	1.0°	0.1°
C18	C17	C16	H5	178.1°	179.9°
C17	C18	C19	H7	179.0°	180.0°
C15	C12	C11	C10	176.2°	179.7°
C12	C15	C20	C19	178.0°	179.7°
C15	C12	C11	H3	3.9°	0.1°
C15	C12	C13	H4	3.9°	0.1°
C12	C15	C16	H5	2.9°	0.3°
C12	C15	C20	H13	2.1°	0.4°
C12	C11	C10	H3	180.0°	179.6°
C12	C11	C10	F22	179.2°	179.7°
C11	C12	C15	C20	43.1°	180.0°
C11	C12	C13	H4	178.2°	180.0°
F22	C10	C11	H3	0.7°	0.1°
C15	C20	C19	C18	2.5°	0.1°
C15	C20	C19	H13	180.0°	179.9°
C20	C15	C16	H5	176.6°	179.9°
C15	C20	C19	H7	177.5°	180.0°
C5	N4	C3	H1	178.9°	180.0°
C3	N4	C5	H2	179.7°	179.9°
C18	C19	C20	H7	180.0°	179.9°
C18	C19	C20	H13	177.5°	180.0°
C20	C19	C18	H6	179.0°	179.9°
H6	C18	C19	H7	1.0°	0.0°
H7	C19	C20	H13	2.5°	0.1°
H8	C26	H9	H10	120.0°	120.0°

Release date:	2016-05-04
Definition date:	2015-05-14
Last modified:	2016-04-29
Release status:	REL
Processing site:	PDBJ
Derived from:	4ZMG