E5W

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F1	C15	sing	1.40Å	1.33Å
C16	C15	sing	1.53Å	1.52Å
C16	C17	sing	1.53Å	1.53Å
F2	C15	sing	1.40Å	1.28Å
C15	C14	sing	1.53Å	1.52Å
C17	N2	sing	1.47Å	1.47Å
C14	C13	sing	1.53Å	1.56Å
N2	C13	sing	1.47Å	1.51Å
N2	C12	sing	1.47Å	1.51Å
C12	C8	sing	1.51Å	1.56Å
C8	C7	doub	1.38Å	1.40Å	Aromatic
C8	C9	sing	1.38Å	1.40Å	Aromatic
C7	C6	sing	1.39Å	1.39Å	Aromatic
C5	C1	sing	1.51Å	1.51Å
C1	O1	sing	1.34Å	1.29Å	Aromatic
C1	C2	doub	1.37Å	1.39Å	Aromatic
C9	C10	doub	1.39Å	1.39Å	Aromatic
O1	N1	sing	1.21Å	1.34Å	Aromatic
C6	C2	sing	1.48Å	1.50Å
C6	C11	doub	1.39Å	1.42Å	Aromatic
C2	C3	sing	1.42Å	1.37Å	Aromatic
N1	C3	doub	1.30Å	1.36Å	Aromatic
C3	C4	sing	1.51Å	1.49Å
C10	C11	sing	1.39Å	1.39Å	Aromatic
C10	O2	sing	1.36Å	1.36Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C14	H4	sing	1.09Å	1.10Å
C14	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.08Å	1.08Å
C7	H10	sing	1.08Å	1.08Å
C9	H11	sing	1.08Å	1.08Å
C12	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C13	H14	sing	1.09Å	1.10Å
C13	H15	sing	1.09Å	1.10Å
O2	H17	sing	0.97Å	0.95Å
C16	H18	sing	1.09Å	1.10Å
C16	H19	sing	1.09Å	1.10Å
C17	H20	sing	1.09Å	1.10Å
C17	H21	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F1	C15	C16	109.7°	109.5°
F1	C15	F2	104.2°	109.5°
F1	C15	C14	109.8°	109.5°
C15	C16	C17	112.5°	109.3°
C16	C15	F2	112.6°	109.5°
C16	C15	C14	111.7°	109.2°
C15	C16	H18	108.7°	109.5°
C15	C16	H19	108.7°	109.5°
C16	C17	N2	106.1°	109.5°
C17	C16	H18	108.7°	109.5°
C17	C16	H19	108.7°	109.5°
C16	C17	H20	110.3°	109.5°
C16	C17	H21	110.3°	109.4°
F2	C15	C14	108.5°	109.5°
C15	C14	C13	113.3°	109.2°
C15	C14	H4	108.5°	109.5°
C15	C14	H5	108.5°	109.5°
C17	N2	C13	107.0°	111.2°
C17	N2	C12	111.8°	111.0°
N2	C17	H20	110.3°	109.5°
N2	C17	H21	110.3°	109.5°
C14	C13	N2	115.4°	109.5°
C13	C14	H4	108.5°	109.5°
C13	C14	H5	108.5°	109.5°
C14	C13	H14	108.0°	109.5°
C14	C13	H15	108.0°	109.5°
C13	N2	C12	112.1°	111.0°
N2	C13	H14	108.0°	109.4°
N2	C13	H15	108.0°	109.5°
N2	C12	C8	113.5°	109.4°
N2	C12	H12	108.5°	109.5°
N2	C12	H13	108.5°	109.5°
C12	C8	C7	119.5°	119.9°
C12	C8	C9	121.5°	119.9°
C8	C12	H12	108.4°	109.5°
C8	C12	H13	108.4°	109.5°
C7	C8	C9	119.0°	120.2°
C8	C7	C6	121.2°	120.0°
C8	C7	H10	119.4°	120.0°
C8	C9	C10	119.7°	120.2°
C8	C9	H11	120.2°	120.0°
C7	C6	C2	118.8°	120.1°
C7	C6	C11	119.4°	119.9°
C6	C7	H10	119.4°	120.0°
C5	C1	O1	116.3°	126.9°
C5	C1	C2	135.2°	126.9°
C1	C5	H6	109.5°	109.5°
C1	C5	H7	109.4°	109.5°
C1	C5	H8	109.4°	109.5°
O1	C1	C2	108.5°	106.2°
C1	O1	N1	111.3°	111.9°
C1	C2	C6	127.9°	128.1°
C1	C2	C3	105.1°	103.7°
C9	C10	C11	121.7°	120.0°
C9	C10	O2	121.2°	120.0°
C10	C9	H11	120.1°	119.9°
O1	N1	C3	106.7°	111.9°
C2	C6	C11	121.8°	120.1°
C6	C2	C3	126.8°	128.2°
C6	C11	C10	118.9°	119.8°
C6	C11	H9	120.6°	120.1°
C2	C3	N1	108.4°	106.3°
C2	C3	C4	128.4°	126.9°
N1	C3	C4	122.9°	126.9°
C3	C4	H1	109.5°	109.4°
C3	C4	H2	109.4°	109.5°
C3	C4	H3	109.5°	109.5°
C11	C10	O2	117.1°	120.0°
C10	C11	H9	120.5°	120.1°
C10	O2	H17	109.5°	114.0°
H1	C4	H2	109.4°	109.4°
H1	C4	H3	109.5°	109.5°
H2	C4	H3	109.5°	109.5°
H4	C14	H5	109.5°	109.5°
H6	C5	H7	109.5°	109.5°
H6	C5	H8	109.5°	109.5°
H7	C5	H8	109.5°	109.4°
H12	C12	H13	109.5°	109.5°
H14	C13	H15	109.5°	109.5°
H18	C16	H19	109.5°	109.5°
H20	C17	H21	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F1	C15	C16	F2	115.6°	120.1°
F1	C15	C16	C14	122.1°	120.0°
F1	C15	C16	C17	173.5°	177.6°
F1	C15	F2	C14	117.0°	120.2°
F1	C15	C14	C13	159.0°	177.6°
F1	C15	C14	H4	38.5°	62.5°
F1	C15	C14	H5	80.4°	57.7°
F1	C15	C16	H18	66.1°	62.5°
F1	C15	C16	H19	53.0°	57.6°
C15	C16	C17	H18	120.4°	120.0°
C15	C16	C17	H19	120.5°	119.9°
C16	C15	F2	C14	124.2°	119.7°
C15	C16	C17	N2	67.8°	59.1°
C16	C15	C14	C13	37.0°	57.6°
C16	C15	C14	H4	83.5°	177.6°
C16	C15	C14	H5	157.6°	62.3°
C15	C16	H18	H19	118.6°	120.1°
C15	C16	C17	H20	51.6°	179.2°
C15	C16	C17	H21	172.7°	60.9°
C17	C16	C15	F2	71.0°	62.3°
C17	C16	C15	C14	51.4°	57.6°
C16	C17	N2	H20	119.5°	120.1°
C16	C17	N2	H21	119.5°	119.9°
C16	C17	N2	C13	67.5°	61.7°
C16	C17	N2	C12	169.4°	174.2°
C17	C16	H18	H19	118.6°	120.0°
C16	C17	H20	H21	121.6°	119.9°
F2	C15	C14	C13	87.6°	62.2°
F2	C15	C14	H4	151.8°	57.7°
F2	C15	C14	H5	32.9°	177.8°
F2	C15	C16	H18	49.5°	57.7°
F2	C15	C16	H19	168.6°	177.8°
C15	C14	C13	H4	120.6°	119.9°
C15	C14	C13	H5	120.6°	119.9°
C15	C14	C13	N2	41.5°	59.2°
C15	C14	H4	H5	118.3°	120.1°
C15	C14	C13	H14	162.4°	179.1°
C15	C14	C13	H15	79.4°	60.8°
C14	C15	C16	H18	171.8°	177.6°
C14	C15	C16	H19	69.0°	62.3°
C17	N2	C13	C14	57.1°	61.8°
C17	N2	C13	C12	122.9°	124.0°
C17	N2	C12	C8	172.8°	65.8°
C17	N2	C12	H12	52.2°	54.2°
C17	N2	C12	H13	66.6°	174.2°
C17	N2	C13	H14	178.0°	178.3°
C17	N2	C13	H15	63.7°	58.3°
N2	C17	C16	H18	171.7°	179.1°
N2	C17	C16	H19	52.6°	60.8°
N2	C17	H20	H21	121.5°	120.0°
C14	C13	N2	H14	120.8°	120.0°
C14	C13	N2	H15	120.9°	120.1°
C14	C13	N2	C12	180.0°	174.2°
C13	C14	H4	H5	118.2°	120.1°
C14	C13	H14	H15	117.3°	120.0°
C13	N2	C12	C8	52.6°	170.1°
N2	C13	C14	H4	79.1°	179.2°
N2	C13	C14	H5	162.1°	60.7°
C13	N2	C12	H12	68.0°	69.9°
C13	N2	C12	H13	173.2°	50.0°
N2	C13	H14	H15	117.3°	120.0°
C13	N2	C17	H20	52.0°	178.2°
C13	N2	C17	H21	173.0°	58.2°
N2	C12	C8	H12	120.6°	120.0°
N2	C12	C8	H13	120.6°	120.0°
N2	C12	C8	C7	67.5°	90.0°
N2	C12	C8	C9	110.1°	90.0°
N2	C12	H12	H13	118.2°	120.0°
C12	N2	C13	H14	59.1°	54.2°
C12	N2	C13	H15	59.2°	65.8°
C12	N2	C17	H20	71.2°	54.1°
C12	N2	C17	H21	49.9°	65.8°
C12	C8	C7	C9	177.6°	180.0°
C12	C8	C7	C6	177.4°	180.0°
C12	C8	C9	C10	177.1°	179.7°
C12	C8	C7	H10	2.6°	0.0°
C12	C8	C9	H11	2.9°	0.0°
C8	C12	H12	H13	118.1°	120.0°
C8	C7	C6	H10	180.0°	180.0°
C7	C8	C9	C10	0.5°	0.2°
C8	C7	C6	C2	179.8°	180.0°
C8	C7	C6	C11	0.0°	0.3°
C7	C8	C9	H11	179.5°	180.0°
C7	C8	C12	H12	171.9°	150.0°
C7	C8	C12	H13	53.1°	30.0°
C9	C8	C7	C6	0.2°	0.0°
C8	C9	C10	H11	180.0°	179.8°
C8	C9	C10	C11	0.5°	0.2°
C8	C9	C10	O2	178.9°	180.0°
C9	C8	C7	H10	179.8°	180.0°
C9	C8	C12	H12	10.5°	29.9°
C9	C8	C12	H13	129.3°	149.9°
C7	C6	C2	C1	42.5°	115.3°
C7	C6	C2	C11	179.8°	179.7°
C7	C6	C2	C3	131.4°	64.7°
C7	C6	C11	C10	0.0°	0.3°
C7	C6	C11	H9	180.0°	179.8°
C5	C1	O1	C2	179.1°	180.0°
C5	C1	O1	N1	179.7°	180.0°
C5	C1	C2	C6	3.7°	0.0°
C5	C1	C2	C3	178.7°	180.0°
C1	C5	H6	H7	120.0°	120.0°
C1	C5	H6	H8	120.0°	120.1°
C1	C5	H7	H8	120.0°	120.0°
O1	C1	C2	C6	177.5°	180.0°
O1	C1	C2	C3	2.5°	0.0°
C1	O1	N1	C3	0.5°	0.0°
O1	C1	C5	H6	0.0°	0.0°
O1	C1	C5	H7	120.0°	120.0°
O1	C1	C5	H8	120.0°	120.0°
C2	C1	O1	N1	1.2°	0.0°
C1	C2	C6	C3	173.9°	180.0°
C1	C2	C6	C11	137.7°	65.0°
C1	C2	C3	N1	2.8°	0.0°
C1	C2	C3	C4	176.5°	179.9°
C2	C1	C5	H6	178.8°	180.0°
C2	C1	C5	H7	58.7°	60.0°
C2	C1	C5	H8	61.3°	60.0°
C9	C10	C11	C6	0.2°	0.0°
C9	C10	C11	O2	179.4°	179.8°
C9	C10	C11	H9	179.8°	180.0°
C9	C10	O2	H17	180.0°	90.0°
O1	N1	C3	C2	2.1°	0.0°
O1	N1	C3	C4	176.3°	179.9°
C6	C2	C3	N1	177.8°	180.0°
C6	C2	C3	C4	8.4°	0.1°
C2	C6	C11	C10	179.8°	180.0°
C2	C6	C11	H9	0.1°	0.1°
C2	C6	C7	H10	0.2°	0.0°
C11	C6	C2	C3	48.4°	115.0°
C6	C11	C10	H9	180.0°	179.9°
C6	C11	C10	O2	179.2°	179.7°
C11	C6	C7	H10	180.0°	179.7°
C2	C3	N1	C4	174.1°	179.9°
C2	C3	C4	H1	172.9°	90.0°
C2	C3	C4	H2	67.1°	29.9°
C2	C3	C4	H3	52.9°	150.0°
N1	C3	C4	H1	0.0°	90.1°
N1	C3	C4	H2	120.0°	150.0°
N1	C3	C4	H3	120.0°	29.9°
C3	C4	H1	H2	120.0°	119.9°
C3	C4	H1	H3	120.0°	120.0°
C3	C4	H2	H3	120.0°	120.0°
C11	C10	C9	H11	179.5°	180.0°
C11	C10	O2	H17	0.6°	89.7°
O2	C10	C11	H9	0.8°	0.2°
O2	C10	C9	H11	1.1°	0.3°
H1	C4	H2	H3	120.0°	120.0°
H4	C14	C13	H14	41.8°	60.9°
H4	C14	C13	H15	160.1°	59.1°
H5	C14	C13	H14	77.1°	59.2°
H5	C14	C13	H15	41.2°	179.2°
H6	C5	H7	H8	120.0°	120.0°
H18	C16	C17	H20	68.8°	60.8°
H18	C16	C17	H21	52.3°	59.2°
H19	C16	C17	H20	172.1°	59.3°
H19	C16	C17	H21	66.8°	179.2°

Release date:	2018-04-18
Definition date:	2018-02-20
Last modified:	2018-04-13
Release status:	REL
Processing site:	EBI
Derived from:	6FT4