E8V

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C10	sing	1.36Å	1.35Å
F1	C9	sing	1.35Å	1.37Å
C10	C9	doub	1.39Å	1.39Å	Aromatic
C10	C11	sing	1.39Å	1.39Å	Aromatic
C9	C8	sing	1.38Å	1.37Å	Aromatic
F4	C14	sing	1.35Å	1.37Å
F2	C11	sing	1.35Å	1.36Å
C11	C12	doub	1.38Å	1.38Å	Aromatic
C8	C6	doub	1.39Å	1.39Å	Aromatic
C14	C13	doub	1.38Å	1.38Å	Aromatic
C14	C15	sing	1.39Å	1.38Å	Aromatic
C13	C7	sing	1.39Å	1.39Å	Aromatic
O2	C15	sing	1.36Å	1.35Å
C12	C6	sing	1.39Å	1.39Å	Aromatic
C6	C1	sing	1.48Å	1.49Å
C15	C16	doub	1.39Å	1.37Å	Aromatic
C5	C1	doub	1.39Å	1.40Å	Aromatic
C5	C4	sing	1.40Å	1.39Å	Aromatic
C1	C2	sing	1.40Å	1.42Å	Aromatic
C7	C4	sing	1.48Å	1.49Å
C7	C17	doub	1.39Å	1.39Å	Aromatic
C4	C3	doub	1.39Å	1.39Å	Aromatic
C16	C17	sing	1.38Å	1.38Å	Aromatic
C16	F3	sing	1.35Å	1.36Å
C2	N2	sing	1.39Å	1.35Å
C2	N1	doub	1.32Å	1.35Å	Aromatic
C3	N1	sing	1.32Å	1.35Å	Aromatic
C5	H1	sing	1.08Å	1.08Å
C8	H2	sing	1.08Å	1.08Å
C12	H3	sing	1.08Å	1.08Å
C13	H4	sing	1.08Å	1.08Å
N2	H5	sing	0.97Å	1.00Å
N2	H6	sing	0.97Å	1.00Å
C3	H7	sing	1.08Å	1.08Å
C17	H8	sing	1.08Å	1.08Å
O1	H9	sing	0.97Å	0.95Å
O2	H10	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C10	C9	120.2°	119.9°
O1	C10	C11	122.4°	119.9°
C10	O1	H9	109.5°	114.0°
F1	C9	C10	119.8°	120.0°
F1	C9	C8	118.5°	120.0°
C9	C10	C11	117.4°	120.1°
C10	C9	C8	121.7°	120.0°
C10	C11	F2	119.4°	120.0°
C10	C11	C12	121.9°	120.0°
C9	C8	C6	120.2°	120.0°
C9	C8	H2	119.9°	120.0°
F4	C14	C13	119.8°	120.0°
F4	C14	C15	118.5°	120.0°
F2	C11	C12	118.7°	120.0°
C11	C12	C6	119.6°	120.0°
C11	C12	H3	120.2°	120.0°
C8	C6	C12	119.1°	119.9°
C8	C6	C1	119.6°	120.1°
C6	C8	H2	119.9°	120.0°
C13	C14	C15	121.7°	120.0°
C14	C13	C7	120.7°	120.0°
C14	C13	H4	119.6°	120.0°
C14	C15	O2	121.1°	119.9°
C14	C15	C16	117.2°	120.1°
C13	C7	C4	121.1°	120.1°
C13	C7	C17	117.7°	119.9°
C7	C13	H4	119.7°	120.0°
O2	C15	C16	121.7°	119.9°
C15	O2	H10	109.5°	114.0°
C12	C6	C1	121.2°	120.1°
C6	C12	H3	120.2°	120.0°
C6	C1	C5	118.3°	120.5°
C6	C1	C2	122.9°	120.5°
C15	C16	C17	122.6°	120.0°
C15	C16	F3	118.2°	120.0°
C1	C5	C4	120.9°	118.3°
C5	C1	C2	118.8°	119.0°
C1	C5	H1	119.6°	120.9°
C5	C4	C7	120.8°	120.4°
C5	C4	C3	115.7°	119.2°
C4	C5	H1	119.5°	120.9°
C1	C2	N2	122.4°	119.7°
C1	C2	N1	120.8°	120.7°
C4	C7	C17	120.9°	120.0°
C7	C4	C3	123.2°	120.4°
C7	C17	C16	120.1°	120.0°
C7	C17	H8	119.9°	120.0°
C4	C3	N1	125.5°	121.0°
C4	C3	H7	117.3°	119.5°
C17	C16	F3	119.1°	120.0°
C16	C17	H8	120.0°	120.0°
N2	C2	N1	116.8°	119.6°
C2	N2	H5	109.5°	120.0°
C2	N2	H6	109.5°	120.0°
C2	N1	C3	118.3°	121.9°
N1	C3	H7	117.3°	119.5°
H5	N2	H6	109.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C10	C9	F1	0.4°	0.1°
O1	C10	C9	C11	178.5°	179.9°
O1	C10	C9	C8	179.0°	180.0°
O1	C10	C11	F2	0.4°	0.2°
O1	C10	C11	C12	179.4°	179.8°
F1	C9	C10	C8	178.6°	179.9°
F1	C9	C10	C11	178.1°	180.0°
F1	C9	C8	C6	179.6°	180.0°
F1	C9	C8	H2	0.4°	0.0°
C9	C10	C11	F2	178.8°	179.7°
C9	C10	C11	C12	0.9°	0.1°
C10	C9	C8	C6	1.0°	0.1°
C10	C9	C8	H2	179.0°	180.0°
C9	C10	O1	H9	180.0°	89.9°
C11	C10	C9	C8	0.5°	0.1°
C10	C11	F2	C12	179.8°	179.6°
C10	C11	C12	C6	0.1°	0.4°
C10	C11	C12	H3	179.8°	180.0°
C11	C10	O1	H9	1.6°	90.0°
C9	C8	C6	H2	180.0°	180.0°
C9	C8	C6	C12	2.1°	0.2°
C9	C8	C6	C1	178.9°	179.9°
F4	C14	C13	C15	180.0°	179.7°
F4	C14	C13	C7	179.7°	179.7°
F4	C14	C15	O2	1.0°	0.3°
F4	C14	C15	C16	178.4°	179.7°
F4	C14	C13	H4	0.3°	0.3°
F2	C11	C12	C6	179.9°	180.0°
F2	C11	C12	H3	0.1°	0.4°
C11	C12	C6	C8	1.7°	0.4°
C11	C12	C6	H3	180.0°	179.6°
C11	C12	C6	C1	178.4°	179.8°
C8	C6	C12	C1	176.7°	179.7°
C8	C6	C1	C5	54.5°	130.0°
C8	C6	C1	C2	126.5°	50.0°
C8	C6	C12	H3	178.3°	180.0°
C14	C13	C7	H4	180.0°	180.0°
C13	C14	C15	O2	178.9°	180.0°
C13	C14	C15	C16	1.6°	0.0°
C14	C13	C7	C4	176.2°	180.0°
C14	C13	C7	C17	3.1°	0.0°
C15	C14	C13	C7	0.3°	0.0°
C14	C15	O2	C16	177.3°	180.0°
C14	C15	C16	C17	0.5°	0.0°
C14	C15	C16	F3	177.0°	180.0°
C15	C14	C13	H4	179.7°	180.0°
C14	C15	O2	H10	180.0°	90.0°
C13	C7	C4	C5	9.0°	0.2°
C13	C7	C4	C17	172.9°	180.0°
C13	C7	C4	C3	176.8°	180.0°
C13	C7	C17	C16	4.1°	0.0°
C13	C7	C17	H8	175.9°	180.0°
O2	C15	C16	C17	177.9°	180.0°
O2	C15	C16	F3	0.4°	0.0°
C12	C6	C1	C5	122.1°	50.3°
C12	C6	C1	C2	56.9°	129.8°
C12	C6	C8	H2	177.9°	179.8°
C6	C1	C5	C2	179.1°	179.9°
C6	C1	C5	C4	179.6°	180.0°
C6	C1	C2	N2	0.9°	0.0°
C6	C1	C2	N1	179.1°	180.0°
C6	C1	C5	H1	0.4°	0.1°
C1	C6	C8	H2	1.2°	0.0°
C1	C6	C12	H3	1.6°	0.2°
C15	C16	C17	C7	2.3°	0.0°
C15	C16	C17	F3	177.5°	179.9°
C15	C16	C17	H8	177.7°	180.0°
C16	C15	O2	H10	2.7°	90.0°
C1	C5	C4	H1	180.0°	179.9°
C1	C5	C4	C7	176.8°	179.7°
C1	C5	C4	C3	2.2°	0.1°
C5	C1	C2	N2	179.9°	180.0°
C5	C1	C2	N1	0.1°	0.0°
C4	C5	C1	C2	1.4°	0.0°
C5	C4	C7	C3	174.1°	179.8°
C5	C4	C7	C17	163.8°	179.8°
C5	C4	C3	N1	2.1°	0.1°
C5	C4	C3	H7	177.9°	180.0°
C1	C2	N2	N1	180.0°	180.0°
C1	C2	N1	C3	0.2°	0.0°
C2	C1	C5	H1	178.7°	180.0°
C1	C2	N2	H5	180.0°	0.0°
C1	C2	N2	H6	60.0°	180.0°
C4	C7	C17	C16	177.2°	179.9°
C7	C4	C3	N1	176.5°	179.7°
C7	C4	C5	H1	3.2°	0.2°
C4	C7	C13	H4	3.8°	0.1°
C7	C4	C3	H7	3.5°	0.2°
C4	C7	C17	H8	2.8°	0.0°
C17	C7	C4	C3	10.3°	0.0°
C7	C17	C16	H8	180.0°	179.9°
C7	C17	C16	F3	179.9°	180.0°
C17	C7	C13	H4	176.9°	180.0°
C4	C3	N1	C2	0.9°	0.0°
C4	C3	N1	H7	180.0°	179.9°
C3	C4	C5	H1	177.8°	180.0°
F3	C16	C17	H8	0.1°	0.1°
N2	C2	N1	C3	179.9°	180.0°
C2	N2	H5	H6	120.0°	180.0°
N1	C2	N2	H5	0.0°	180.0°
N1	C2	N2	H6	120.0°	0.0°
C2	N1	C3	H7	179.1°	180.0°

Release date:	2017-12-20
Definition date:	2017-12-13
Last modified:	2017-12-15
Release status:	REL
Processing site:	RCSB
Derived from:	6BU6