4P3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F3	C16	sing	1.40Å	1.30Å
F2	C16	sing	1.40Å	1.33Å
C16	F1	sing	1.40Å	1.35Å
C16	C15	sing	1.53Å	1.53Å
C15	O1	sing	1.43Å	1.40Å
O1	C14	sing	1.36Å	1.35Å
F	C9	sing	1.35Å	1.36Å
C14	C17	doub	1.38Å	1.41Å	Aromatic
C14	C5	sing	1.39Å	1.45Å	Aromatic
C17	C2	sing	1.39Å	1.39Å	Aromatic
C9	C10	doub	1.38Å	1.38Å	Aromatic
C9	C8	sing	1.40Å	1.49Å	Aromatic
C6	N	sing	1.46Å	1.48Å
C10	C11	sing	1.38Å	1.40Å	Aromatic
N	C5	sing	1.40Å	1.37Å
N	C7	sing	1.35Å	1.30Å
C5	C4	doub	1.39Å	1.38Å	Aromatic
C2	C1	sing	1.48Å	1.47Å
C2	C3	doub	1.39Å	1.38Å	Aromatic
C18	C1	doub	1.39Å	1.36Å	Aromatic
C18	C19	sing	1.39Å	1.38Å	Aromatic
C1	C	sing	1.40Å	1.48Å	Aromatic
O2	C20	doub	1.21Å	1.24Å
N1	C20	sing	1.35Å	1.34Å
C20	C19	sing	1.48Å	1.49Å
O	C7	doub	1.22Å	1.21Å
C19	C21	doub	1.40Å	1.40Å	Aromatic
C7	C8	sing	1.48Å	1.50Å
C	CL	sing	1.74Å	1.79Å
C	C22	doub	1.38Å	1.37Å	Aromatic
C21	C22	sing	1.38Å	1.40Å	Aromatic
C8	C13	doub	1.40Å	1.48Å	Aromatic
C11	C12	doub	1.38Å	1.37Å	Aromatic
C4	C3	sing	1.38Å	1.38Å	Aromatic
C13	C12	sing	1.38Å	1.38Å	Aromatic
C13	CL1	sing	1.74Å	1.78Å
N1	H1	sing	0.97Å	1.00Å
N1	H2	sing	0.97Å	1.00Å
C21	H3	sing	1.08Å	1.08Å
C22	H4	sing	1.08Å	1.08Å
C18	H5	sing	1.08Å	1.08Å
C17	H6	sing	1.08Å	1.08Å
C15	H7	sing	1.09Å	1.10Å
C15	H8	sing	1.09Å	1.10Å
C4	H9	sing	1.08Å	1.08Å
C3	H10	sing	1.08Å	1.08Å
C6	H11	sing	1.09Å	1.10Å
C6	H12	sing	1.09Å	1.10Å
C6	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.08Å	1.08Å
C11	H15	sing	1.08Å	1.08Å
C10	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F3	C16	F2	107.6°	109.4°
F3	C16	F1	114.8°	109.5°
F3	C16	C15	101.3°	109.4°
F2	C16	F1	109.2°	109.5°
F2	C16	C15	114.2°	109.5°
F1	C16	C15	109.6°	109.5°
C16	C15	O1	104.8°	109.4°
C16	C15	H7	110.6°	109.5°
C16	C15	H8	110.6°	109.5°
C15	O1	C14	124.7°	117.0°
O1	C15	H7	110.6°	109.5°
O1	C15	H8	110.6°	109.5°
O1	C14	C17	126.6°	120.0°
O1	C14	C5	114.4°	120.1°
F	C9	C10	120.2°	120.1°
F	C9	C8	122.5°	120.1°
C17	C14	C5	119.1°	120.0°
C14	C17	C2	119.0°	119.9°
C14	C17	H6	120.5°	120.1°
C14	C5	N	119.7°	120.0°
C14	C5	C4	119.3°	120.1°
C17	C2	C1	121.2°	120.1°
C17	C2	C3	121.2°	119.9°
C2	C17	H6	120.5°	120.0°
C10	C9	C8	117.3°	119.8°
C9	C10	C11	121.7°	120.2°
C9	C10	H16	119.2°	119.9°
C9	C8	C7	118.7°	120.2°
C9	C8	C13	117.8°	119.7°
C6	N	C5	119.8°	120.0°
C6	N	C7	123.3°	120.0°
N	C6	H11	109.5°	109.4°
N	C6	H12	109.5°	109.6°
N	C6	H13	109.4°	109.5°
C10	C11	C12	123.1°	120.3°
C10	C11	H15	118.4°	119.9°
C11	C10	H16	119.1°	119.9°
C5	N	C7	116.8°	120.0°
N	C5	C4	121.0°	119.9°
N	C7	O	120.1°	120.0°
N	C7	C8	114.0°	120.0°
C5	C4	C3	120.4°	120.1°
C5	C4	H9	119.8°	120.0°
C1	C2	C3	117.6°	120.0°
C2	C1	C18	118.3°	120.1°
C2	C1	C	121.9°	120.0°
C2	C3	C4	121.0°	120.1°
C2	C3	H10	119.5°	120.0°
C1	C18	C19	120.2°	119.8°
C18	C1	C	119.7°	119.9°
C1	C18	H5	119.9°	120.1°
C18	C19	C20	117.3°	120.0°
C18	C19	C21	120.0°	119.9°
C19	C18	H5	119.9°	120.1°
C1	C	CL	119.5°	119.9°
C1	C	C22	119.6°	120.1°
O2	C20	N1	121.9°	120.0°
O2	C20	C19	118.5°	120.0°
N1	C20	C19	119.6°	120.0°
C20	N1	H1	120.0°	120.0°
C20	N1	H2	120.0°	120.0°
C20	C19	C21	122.6°	120.1°
O	C7	C8	125.9°	120.0°
C19	C21	C22	121.8°	120.1°
C19	C21	H3	119.1°	120.0°
C7	C8	C13	123.4°	120.1°
CL	C	C22	120.9°	119.9°
C	C22	C21	118.6°	120.3°
C	C22	H4	120.7°	119.8°
C22	C21	H3	119.1°	119.9°
C21	C22	H4	120.7°	119.9°
C8	C13	C12	120.7°	119.8°
C8	C13	CL1	124.2°	120.1°
C11	C12	C13	119.3°	120.2°
C11	C12	H14	120.3°	119.9°
C12	C11	H15	118.4°	119.8°
C3	C4	H9	119.8°	120.0°
C4	C3	H10	119.5°	120.0°
C12	C13	CL1	115.2°	120.1°
C13	C12	H14	120.3°	119.9°
H1	N1	H2	120.0°	120.0°
H7	C15	H8	109.5°	109.5°
H11	C6	H12	109.5°	109.5°
H11	C6	H13	109.5°	109.4°
H12	C6	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F3	C16	F2	F1	125.2°	120.0°
F3	C16	F2	C15	111.7°	119.9°
F3	C16	F1	C15	113.2°	119.9°
F3	C16	C15	O1	154.0°	180.0°
F3	C16	C15	H7	86.8°	60.0°
F3	C16	C15	H8	34.7°	60.0°
F2	C16	F1	C15	125.8°	120.1°
F2	C16	C15	O1	90.6°	60.1°
F2	C16	C15	H7	28.6°	180.0°
F2	C16	C15	H8	150.1°	59.9°
F1	C16	C15	O1	32.3°	60.0°
F1	C16	C15	H7	151.5°	59.9°
F1	C16	C15	H8	87.0°	180.0°
C16	C15	O1	H7	119.3°	120.0°
C16	C15	O1	H8	119.2°	120.0°
C16	C15	O1	C14	169.7°	180.0°
C16	C15	H7	H8	122.1°	120.0°
C15	O1	C14	C17	1.5°	0.0°
C15	O1	C14	C5	179.6°	180.0°
O1	C15	H7	H8	122.2°	120.0°
O1	C14	C17	C5	178.1°	180.0°
O1	C14	C17	C2	179.9°	180.0°
O1	C14	C5	N	2.1°	0.0°
O1	C14	C5	C4	179.8°	180.0°
O1	C14	C17	H6	0.1°	0.1°
C14	O1	C15	H7	71.1°	60.0°
C14	O1	C15	H8	50.4°	60.0°
F	C9	C10	C8	179.0°	179.5°
F	C9	C10	C11	179.7°	180.0°
F	C9	C8	C7	3.0°	0.3°
F	C9	C8	C13	178.7°	180.0°
F	C9	C10	H16	0.3°	0.2°
C14	C17	C2	H6	180.0°	179.9°
C17	C14	C5	N	179.6°	180.0°
C17	C14	C5	C4	1.5°	0.0°
C14	C17	C2	C1	178.5°	180.0°
C14	C17	C2	C3	1.4°	0.3°
C5	C14	C17	C2	2.0°	0.0°
C14	C5	N	C6	58.4°	89.9°
C14	C5	N	C4	178.1°	180.0°
C14	C5	N	C7	125.2°	90.0°
C14	C5	C4	C3	0.2°	0.3°
C5	C14	C17	H6	178.0°	179.9°
C14	C5	C4	H9	179.8°	180.0°
C17	C2	C1	C3	179.9°	179.8°
C17	C2	C1	C18	68.3°	130.2°
C17	C2	C1	C	113.2°	50.2°
C17	C2	C3	C4	0.1°	0.6°
C17	C2	C3	H10	179.9°	179.7°
C9	C10	C11	H16	180.0°	179.8°
C10	C9	C8	C7	178.1°	179.7°
C10	C9	C8	C13	2.3°	0.5°
C9	C10	C11	C12	0.6°	0.3°
C9	C10	C11	H15	179.4°	179.8°
C8	C9	C10	C11	1.4°	0.5°
C9	C8	C7	N	87.3°	89.7°
C9	C8	C7	O	91.3°	90.2°
C9	C8	C7	C13	175.5°	179.8°
C9	C8	C13	C12	2.7°	0.2°
C9	C8	C13	CL1	178.4°	179.8°
C8	C9	C10	H16	178.6°	179.7°
C6	N	C5	C7	176.4°	179.9°
C6	N	C5	C4	119.8°	90.1°
C6	N	C7	O	167.3°	180.0°
C6	N	C7	C8	11.5°	0.1°
N	C6	H11	H12	120.0°	120.1°
N	C6	H11	H13	120.0°	120.0°
N	C6	H12	H13	120.0°	120.1°
C10	C11	C12	H15	180.0°	180.0°
C10	C11	C12	C13	1.0°	0.0°
C10	C11	C12	H14	179.0°	180.0°
C5	N	C7	O	16.5°	0.1°
C5	N	C7	C8	164.8°	180.0°
N	C5	C4	C3	178.4°	179.7°
N	C5	C4	H9	1.6°	0.0°
C5	N	C6	H11	180.0°	90.0°
C5	N	C6	H12	60.0°	150.0°
C5	N	C6	H13	60.0°	29.9°
C7	N	C5	C4	56.6°	90.0°
N	C7	O	C8	178.5°	179.9°
N	C7	C8	C13	88.2°	90.0°
C7	N	C6	H11	3.8°	90.1°
C7	N	C6	H12	123.9°	29.9°
C7	N	C6	H13	116.1°	150.0°
C5	C4	C3	C2	0.5°	0.6°
C5	C4	C3	H9	180.0°	179.7°
C5	C4	C3	H10	179.5°	179.7°
C2	C1	C18	C	178.5°	179.6°
C2	C1	C18	C19	178.8°	180.0°
C2	C1	C	CL	0.1°	0.2°
C2	C1	C	C22	179.4°	179.7°
C1	C2	C3	C4	179.8°	179.7°
C2	C1	C18	H5	1.2°	0.4°
C1	C2	C17	H6	1.5°	0.0°
C1	C2	C3	H10	0.2°	0.1°
C3	C2	C1	C18	111.6°	50.0°
C3	C2	C1	C	66.9°	129.6°
C2	C3	C4	H10	180.0°	179.7°
C3	C2	C17	H6	178.6°	179.8°
C2	C3	C4	H9	179.5°	179.7°
C1	C18	C19	H5	180.0°	179.6°
C1	C18	C19	C20	178.8°	179.8°
C1	C18	C19	C21	1.9°	0.5°
C18	C1	C	CL	178.6°	179.7°
C18	C1	C	C22	2.1°	0.1°
C19	C18	C1	C	0.3°	0.5°
C18	C19	C20	O2	5.3°	0.3°
C18	C19	C20	N1	173.8°	179.5°
C18	C19	C20	C21	176.9°	179.7°
C18	C19	C21	C22	2.3°	0.2°
C18	C19	C21	H3	177.7°	179.8°
C1	C	CL	C22	179.3°	179.9°
C1	C	C22	C21	1.7°	0.1°
C1	C	C22	H4	178.3°	180.0°
C	C1	C18	H5	179.7°	180.0°
O2	C20	N1	C19	179.1°	179.7°
O2	C20	C19	C21	177.8°	180.0°
O2	C20	N1	H1	0.0°	0.0°
O2	C20	N1	H2	180.0°	180.0°
N1	C20	C19	C21	3.1°	0.3°
C20	N1	H1	H2	180.0°	180.0°
C20	C19	C21	C22	179.1°	179.9°
C19	C20	N1	H1	179.1°	179.7°
C19	C20	N1	H2	0.9°	0.3°
C20	C19	C21	H3	0.9°	0.0°
C20	C19	C18	H5	1.2°	0.2°
O	C7	C8	C13	93.2°	90.0°
C19	C21	C22	C	0.4°	0.1°
C19	C21	C22	H3	180.0°	180.0°
C19	C21	C22	H4	179.6°	180.0°
C21	C19	C18	H5	178.1°	179.9°
C7	C8	C13	C12	178.3°	180.0°
C7	C8	C13	CL1	2.8°	0.0°
CL	C	C22	C21	179.0°	180.0°
CL	C	C22	H4	1.0°	0.1°
C	C22	C21	H4	180.0°	179.9°
C	C22	C21	H3	179.6°	179.9°
C8	C13	C12	C11	2.0°	0.0°
C8	C13	C12	CL1	179.0°	180.0°
C8	C13	C12	H14	178.0°	180.0°
C11	C12	C13	H14	180.0°	180.0°
C11	C12	C13	CL1	179.0°	180.0°
C12	C11	C10	H16	179.3°	180.0°
C13	C12	C11	H15	179.0°	180.0°
CL1	C13	C12	H14	1.0°	0.0°
H3	C21	C22	H4	0.4°	0.0°
H9	C4	C3	H10	0.5°	0.0°
H11	C6	H12	H13	120.0°	119.9°
H14	C12	C11	H15	1.0°	0.0°
H15	C11	C10	H16	0.7°	0.0°

Release date:	2015-06-17
Definition date:	2015-04-30
Last modified:	2015-06-12
Release status:	REL
Processing site:	RCSB
Derived from:	4ZJR