FEU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N08	C03	sing	1.38Å	1.40Å
C24	O23	sing	1.43Å	1.42Å
O23	C18	sing	1.36Å	1.43Å
C03	N04	doub	1.32Å	1.33Å	Aromatic
C03	N02	sing	1.33Å	1.34Å	Aromatic
N04	C05	sing	1.33Å	1.38Å	Aromatic
C18	C17	doub	1.39Å	1.40Å	Aromatic
C18	C13	sing	1.39Å	1.43Å	Aromatic
C17	C16	sing	1.38Å	1.38Å	Aromatic
F21	C19	sing	1.40Å	1.32Å
C12	C13	sing	1.51Å	1.56Å
C12	N09	sing	1.47Å	1.46Å
C13	C14	doub	1.38Å	1.38Å	Aromatic
F20	C19	sing	1.40Å	1.32Å
N02	C01	doub	1.32Å	1.34Å	Aromatic
C16	C19	sing	1.51Å	1.52Å
C16	C15	doub	1.38Å	1.42Å	Aromatic
C05	N09	sing	1.36Å	1.36Å	Aromatic
C05	C06	doub	1.41Å	1.42Å	Aromatic
C19	F22	sing	1.40Å	1.33Å
N09	N10	sing	1.40Å	1.32Å	Aromatic
C14	C15	sing	1.38Å	1.41Å	Aromatic
C01	C06	sing	1.40Å	1.43Å	Aromatic
C01	CL7	sing	1.74Å	1.72Å
C06	C11	sing	1.46Å	1.45Å	Aromatic
N10	C11	doub	1.30Å	1.33Å	Aromatic
C15	H1	sing	1.08Å	1.08Å
C17	H2	sing	1.08Å	1.08Å
C24	H3	sing	1.09Å	1.10Å
C24	H4	sing	1.09Å	1.10Å
C24	H5	sing	1.09Å	1.10Å
N08	H6	sing	0.97Å	1.00Å
N08	H7	sing	0.97Å	1.00Å
C11	H8	sing	1.08Å	1.08Å
C12	H9	sing	1.09Å	1.10Å
C12	H10	sing	1.09Å	1.10Å
C14	H11	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N08	C03	N04	120.5°	118.8°
N08	C03	N02	118.5°	118.7°
C03	N08	H6	109.5°	120.0°
C03	N08	H7	109.4°	120.0°
C24	O23	C18	118.9°	117.0°
O23	C24	H3	109.5°	109.5°
O23	C24	H4	109.4°	109.5°
O23	C24	H5	109.5°	109.5°
O23	C18	C17	122.1°	120.1°
O23	C18	C13	117.6°	120.0°
N04	C03	N02	121.0°	122.5°
C03	N04	C05	120.6°	120.5°
C03	N02	C01	122.7°	121.1°
N04	C05	N09	134.6°	134.6°
N04	C05	C06	119.8°	118.7°
C17	C18	C13	120.3°	119.8°
C18	C17	C16	119.7°	120.0°
C18	C17	H2	120.2°	120.0°
C18	C13	C12	119.5°	120.0°
C18	C13	C14	119.7°	120.0°
C17	C16	C19	119.8°	120.0°
C17	C16	C15	120.3°	120.1°
C16	C17	H2	120.1°	120.0°
F21	C19	F20	109.4°	109.5°
F21	C19	C16	110.0°	109.5°
F21	C19	F22	108.7°	109.5°
C13	C12	N09	102.9°	109.5°
C12	C13	C14	120.7°	120.0°
C13	C12	H9	111.1°	109.4°
C13	C12	H10	111.1°	109.5°
C12	N09	C05	125.6°	125.4°
C12	N09	N10	123.1°	125.4°
N09	C12	H9	111.1°	109.5°
N09	C12	H10	111.1°	109.5°
C13	C14	C15	119.8°	120.0°
C13	C14	H11	120.1°	120.0°
F20	C19	C16	111.4°	109.5°
F20	C19	F22	109.4°	109.5°
N02	C01	C06	118.8°	118.6°
N02	C01	CL7	121.6°	120.7°
C19	C16	C15	119.9°	119.9°
C16	C19	F22	107.9°	109.5°
C16	C15	C14	120.1°	120.1°
C16	C15	H1	120.0°	120.0°
N09	C05	C06	105.6°	106.7°
C05	N09	N10	111.2°	109.3°
C05	C06	C01	117.0°	118.7°
C05	C06	C11	106.0°	106.4°
N09	N10	C11	111.4°	110.1°
C14	C15	H1	119.9°	119.9°
C15	C14	H11	120.1°	120.0°
C06	C01	CL7	119.5°	120.7°
C01	C06	C11	136.9°	135.0°
C06	C11	N10	105.7°	107.6°
C06	C11	H8	127.2°	126.2°
N10	C11	H8	127.1°	126.2°
H3	C24	H4	109.5°	109.5°
H3	C24	H5	109.4°	109.4°
H4	C24	H5	109.5°	109.5°
H6	N08	H7	109.5°	120.0°
H9	C12	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N08	C03	N04	N02	179.5°	179.9°
N08	C03	N04	C05	179.6°	180.0°
N08	C03	N02	C01	179.1°	180.0°
C03	N08	H6	H7	120.0°	180.0°
C24	O23	C18	C17	4.1°	0.0°
C24	O23	C18	C13	175.1°	180.0°
O23	C24	H3	H4	120.0°	120.0°
O23	C24	H3	H5	120.0°	120.0°
O23	C24	H4	H5	120.0°	120.0°
O23	C18	C17	C13	179.2°	180.0°
O23	C18	C17	C16	179.9°	179.5°
O23	C18	C13	C12	1.8°	0.2°
O23	C18	C13	C14	179.6°	180.0°
O23	C18	C17	H2	0.1°	0.3°
C18	O23	C24	H3	180.0°	60.0°
C18	O23	C24	H4	60.0°	180.0°
C18	O23	C24	H5	60.0°	60.0°
N04	C03	N02	C01	1.4°	0.1°
C03	N04	C05	N09	179.5°	180.0°
C03	N04	C05	C06	0.7°	0.1°
N04	C03	N08	H6	0.0°	0.0°
N04	C03	N08	H7	120.0°	180.0°
N02	C03	N04	C05	0.8°	0.1°
C03	N02	C01	C06	1.7°	0.1°
C03	N02	C01	CL7	179.6°	179.7°
N02	C03	N08	H6	179.6°	179.9°
N02	C03	N08	H7	60.5°	0.1°
N04	C05	N09	C12	1.9°	0.1°
N04	C05	N09	C06	179.9°	179.9°
N04	C05	N09	N10	179.9°	180.0°
N04	C05	C06	C01	1.0°	0.1°
N04	C05	C06	C11	179.5°	179.8°
C18	C17	C16	H2	180.0°	179.2°
C17	C18	C13	C12	179.0°	179.7°
C17	C18	C13	C14	1.2°	0.0°
C18	C17	C16	C19	178.9°	179.2°
C18	C17	C16	C15	0.1°	0.8°
C13	C18	C17	C16	0.7°	0.5°
C18	C13	C12	C14	177.8°	179.8°
C18	C13	C12	N09	73.7°	84.8°
C18	C13	C14	C15	1.0°	0.2°
C13	C18	C17	H2	179.3°	179.8°
C18	C13	C12	H9	45.2°	155.3°
C18	C13	C12	H10	167.4°	35.3°
C18	C13	C14	H11	179.0°	179.8°
C17	C16	C19	F21	2.9°	30.0°
C17	C16	C19	F20	124.4°	150.0°
C17	C16	C19	C15	179.0°	180.0°
C17	C16	C19	F22	115.5°	90.0°
C17	C16	C15	C14	0.0°	0.5°
C17	C16	C15	H1	180.0°	179.5°
F21	C19	F20	C16	121.8°	120.0°
F21	C19	F20	F22	119.0°	120.0°
F21	C19	C16	F22	118.4°	120.0°
F21	C19	C16	C15	178.1°	150.0°
C13	C12	N09	H9	118.9°	120.0°
C13	C12	N09	H10	119.0°	120.0°
C13	C12	N09	C05	113.5°	89.9°
C13	C12	N09	N10	64.2°	90.0°
C12	C13	C14	C15	178.8°	180.0°
C13	C12	H9	H10	123.1°	120.0°
C12	C13	C14	H11	1.2°	0.0°
N09	C12	C13	C14	104.1°	95.0°
C12	N09	C05	N10	178.0°	179.9°
C12	N09	C05	C06	177.9°	180.0°
C12	N09	N10	C11	178.6°	179.8°
N09	C12	H9	H10	123.1°	120.0°
C13	C14	C15	C16	0.5°	0.0°
C13	C14	C15	H11	180.0°	180.0°
C13	C14	C15	H1	179.5°	180.0°
C14	C13	C12	H9	136.9°	24.9°
C14	C13	C12	H10	14.8°	145.0°
F20	C19	C16	F22	120.1°	120.0°
F20	C19	C16	C15	56.6°	30.0°
N02	C01	C06	C05	1.5°	0.1°
N02	C01	C06	CL7	178.7°	179.7°
N02	C01	C06	C11	179.4°	179.7°
C19	C16	C15	C14	179.0°	179.5°
C19	C16	C15	H1	1.0°	0.5°
C19	C16	C17	H2	1.1°	0.0°
C15	C16	C19	F22	63.6°	90.0°
C16	C15	C14	H1	180.0°	180.0°
C15	C16	C17	H2	179.9°	180.0°
C16	C15	C14	H11	179.6°	180.0°
N09	C05	C06	C01	179.1°	180.0°
N09	C05	C06	C11	0.6°	0.3°
C05	N09	N10	C11	0.5°	0.1°
C05	N09	C12	H9	5.4°	30.0°
C05	N09	C12	H10	127.5°	150.0°
C06	C05	N09	N10	0.1°	0.1°
C05	C06	C01	C11	177.9°	179.7°
C05	C06	C01	CL7	179.8°	179.7°
C05	C06	C11	N10	0.9°	0.4°
C05	C06	C11	H8	179.1°	179.7°
N09	N10	C11	C06	0.9°	0.3°
N09	N10	C11	H8	179.1°	179.7°
N10	N09	C12	H9	176.8°	150.0°
N10	N09	C12	H10	54.7°	30.0°
C01	C06	C11	N10	178.9°	179.9°
C01	C06	C11	H8	1.0°	0.0°
CL7	C01	C06	C11	1.9°	0.0°
C06	C11	N10	H8	180.0°	180.0°
H1	C15	C14	H11	0.5°	0.0°
H3	C24	H4	H5	120.0°	120.0°

Release date:	2020-07-08
Definition date:	2020-05-03
Last modified:	2020-07-03
Release status:	REL
Processing site:	PDBJ
Derived from:	7C04