EY8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C24	O23	sing	1.43Å	1.46Å
C24	C25	sing	1.51Å	1.51Å
O26	C25	doub	1.21Å	1.23Å
O23	C22	sing	1.36Å	1.39Å
C25	N27	sing	1.35Å	1.37Å
C22	C21	doub	1.39Å	1.39Å	Aromatic
C22	C28	sing	1.40Å	1.38Å	Aromatic
N27	C28	sing	1.40Å	1.41Å
C21	C20	sing	1.38Å	1.39Å	Aromatic
C28	C29	doub	1.38Å	1.38Å	Aromatic
C20	C19	doub	1.40Å	1.39Å	Aromatic
C29	C19	sing	1.40Å	1.38Å	Aromatic
C19	C17	sing	1.48Å	1.49Å
C13	C14	doub	1.38Å	1.38Å	Aromatic
C13	C11	sing	1.38Å	1.38Å	Aromatic
C17	O18	doub	1.22Å	1.23Å
C17	N16	sing	1.35Å	1.41Å
C14	C15	sing	1.39Å	1.38Å	Aromatic
F12	C11	sing	1.35Å	1.35Å
C11	C10	doub	1.38Å	1.38Å	Aromatic
C15	N16	sing	1.41Å	1.42Å
C15	C9	doub	1.39Å	1.39Å	Aromatic
C10	C9	sing	1.39Å	1.38Å	Aromatic
N16	C6	sing	1.47Å	1.45Å
C9	O8	sing	1.36Å	1.40Å
C7	O8	sing	1.43Å	1.44Å
C7	C6	sing	1.54Å	1.52Å
C6	C5	sing	1.53Å	1.52Å
O4	S2	doub	1.42Å	1.45Å
C5	S2	sing	1.81Å	1.78Å
N1	S2	sing	1.66Å	1.70Å
S2	O3	doub	1.42Å	1.46Å
C7	H1	sing	1.09Å	1.10Å
C7	H2	sing	1.09Å	1.10Å
C10	H3	sing	1.08Å	1.08Å
C13	H4	sing	1.08Å	1.08Å
C14	H5	sing	1.08Å	1.08Å
C20	H6	sing	1.08Å	1.08Å
C21	H7	sing	1.08Å	1.08Å
C24	H8	sing	1.09Å	1.10Å
C24	H9	sing	1.09Å	1.10Å
N1	H10	sing	0.97Å	1.00Å
N1	H11	sing	0.97Å	1.00Å
C5	H12	sing	1.09Å	1.10Å
C5	H13	sing	1.09Å	1.10Å
C6	H14	sing	1.09Å	1.10Å
N27	H15	sing	0.97Å	1.00Å
C29	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O23	C24	C25	111.6°	109.7°
C24	O23	C22	111.5°	116.7°
O23	C24	H8	109.0°	109.5°
O23	C24	H9	109.0°	109.4°
C24	C25	O26	123.4°	120.2°
C24	C25	N27	112.6°	119.7°
C25	C24	H8	108.9°	109.4°
C25	C24	H9	108.9°	109.4°
O26	C25	N27	124.0°	120.1°
O23	C22	C21	120.0°	120.5°
O23	C22	C28	119.4°	119.4°
C25	N27	C28	121.6°	118.9°
C25	N27	H15	119.2°	120.6°
C21	C22	C28	120.6°	120.1°
C22	C21	C20	118.9°	120.1°
C22	C21	H7	120.6°	120.0°
C22	C28	N27	119.6°	119.2°
C22	C28	C29	120.6°	120.1°
N27	C28	C29	119.7°	120.6°
C28	N27	H15	119.2°	120.5°
C21	C20	C19	120.2°	120.1°
C21	C20	H6	119.9°	119.9°
C20	C21	H7	120.6°	119.9°
C28	C29	C19	119.0°	119.7°
C28	C29	H16	120.5°	120.2°
C20	C19	C29	120.7°	119.9°
C20	C19	C17	123.2°	120.0°
C19	C20	H6	119.9°	120.0°
C29	C19	C17	116.0°	120.1°
C19	C29	H16	120.5°	120.1°
C19	C17	O18	114.5°	119.9°
C19	C17	N16	123.4°	120.0°
C14	C13	C11	120.0°	120.0°
C13	C14	C15	119.5°	119.9°
C14	C13	H4	120.0°	120.0°
C13	C14	H5	120.3°	120.1°
C13	C11	F12	119.4°	119.9°
C13	C11	C10	121.4°	120.2°
C11	C13	H4	120.0°	120.0°
O18	C17	N16	121.9°	120.0°
C17	N16	C15	127.2°	121.1°
C17	N16	C6	115.9°	121.1°
C14	C15	N16	121.2°	120.1°
C14	C15	C9	120.2°	120.2°
C15	C14	H5	120.2°	120.0°
F12	C11	C10	119.2°	119.9°
C11	C10	C9	118.6°	120.1°
C11	C10	H3	120.7°	119.9°
N16	C15	C9	118.7°	119.7°
C15	N16	C6	114.9°	117.7°
C15	C9	C10	120.4°	119.5°
C15	C9	O8	123.8°	120.8°
C10	C9	O8	115.8°	119.7°
C9	C10	H3	120.7°	120.0°
N16	C6	C7	107.7°	107.5°
N16	C6	C5	115.8°	109.9°
N16	C6	H14	107.9°	109.9°
C9	O8	C7	114.2°	117.8°
O8	C7	C6	112.0°	108.8°
O8	C7	H1	108.8°	109.6°
O8	C7	H2	108.8°	109.5°
C7	C6	C5	110.8°	109.8°
C6	C7	H1	108.8°	109.6°
C6	C7	H2	108.8°	109.6°
C7	C6	H14	107.1°	109.8°
C6	C5	S2	113.7°	109.5°
C6	C5	H12	108.4°	109.5°
C6	C5	H13	108.4°	109.4°
C5	C6	H14	107.1°	109.8°
O4	S2	C5	108.8°	110.5°
O4	S2	N1	110.1°	104.3°
O4	S2	O3	122.2°	121.0°
C5	S2	N1	101.8°	104.4°
C5	S2	O3	105.1°	110.5°
S2	C5	H12	108.4°	109.5°
S2	C5	H13	108.4°	109.5°
N1	S2	O3	106.9°	104.3°
S2	N1	H10	109.5°	120.0°
S2	N1	H11	109.5°	120.0°
H1	C7	H2	109.5°	109.7°
H8	C24	H9	109.5°	109.4°
H10	N1	H11	109.5°	120.0°
H12	C5	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O23	C24	C25	H8	120.3°	120.1°
O23	C24	C25	H9	120.3°	120.1°
O23	C24	C25	O26	136.3°	148.6°
O23	C24	C25	N27	45.5°	31.4°
C24	O23	C22	C21	147.6°	147.1°
C24	O23	C22	C28	32.9°	32.8°
O23	C24	H8	H9	119.1°	119.9°
C24	C25	O26	N27	177.9°	180.0°
C25	C24	O23	C22	56.0°	46.5°
C24	C25	N27	C28	11.8°	1.6°
C25	C24	H8	H9	119.0°	119.9°
C24	C25	N27	H15	168.2°	178.4°
O26	C25	N27	C28	170.1°	178.3°
O26	C25	C24	H8	16.0°	28.5°
O26	C25	C24	H9	103.3°	91.4°
O26	C25	N27	H15	9.9°	1.7°
O23	C22	C21	C28	179.5°	179.9°
O23	C22	C28	N27	1.3°	0.2°
O23	C22	C21	C20	179.5°	179.9°
O23	C22	C28	C29	179.8°	179.8°
O23	C22	C21	H7	0.5°	0.2°
C22	O23	C24	H8	176.3°	166.6°
C22	O23	C24	H9	64.3°	73.5°
C25	N27	C28	C22	12.4°	15.6°
C25	N27	C28	H15	180.0°	180.0°
C25	N27	C28	C29	168.7°	164.8°
N27	C25	C24	H8	165.8°	151.5°
N27	C25	C24	H9	74.8°	88.7°
C21	C22	C28	N27	178.2°	179.9°
C22	C21	C20	H7	180.0°	179.9°
C21	C22	C28	C29	0.7°	0.3°
C22	C21	C20	C19	0.7°	0.1°
C22	C21	C20	H6	179.3°	179.9°
C22	C28	N27	C29	178.9°	179.6°
C28	C22	C21	C20	0.0°	0.1°
C22	C28	C29	C19	0.8°	0.5°
C28	C22	C21	H7	180.0°	180.0°
C22	C28	N27	H15	167.6°	164.4°
C22	C28	C29	H16	179.2°	179.9°
N27	C28	C29	C19	178.1°	179.9°
N27	C28	C29	H16	1.9°	0.4°
C21	C20	C19	H6	180.0°	180.0°
C21	C20	C19	C29	0.5°	0.3°
C21	C20	C19	C17	178.4°	180.0°
C28	C29	C19	C20	0.2°	0.5°
C28	C29	C19	H16	180.0°	179.4°
C28	C29	C19	C17	177.8°	179.7°
C29	C28	N27	H15	11.3°	15.2°
C20	C19	C29	C17	178.0°	179.7°
C20	C19	C17	O18	133.9°	147.2°
C20	C19	C17	N16	42.4°	32.8°
C19	C20	C21	H7	179.3°	180.0°
C20	C19	C29	H16	179.8°	179.9°
C29	C19	C17	O18	44.1°	32.5°
C29	C19	C17	N16	139.6°	147.5°
C29	C19	C20	H6	179.4°	179.7°
C19	C17	O18	N16	176.3°	180.0°
C19	C17	N16	C15	15.4°	169.3°
C19	C17	N16	C6	147.2°	10.7°
C17	C19	C20	H6	1.6°	0.1°
C17	C19	C29	H16	2.2°	0.3°
C14	C13	C11	H4	180.0°	179.9°
C13	C14	C15	H5	180.0°	180.0°
C14	C13	C11	F12	179.6°	179.9°
C14	C13	C11	C10	0.1°	0.1°
C13	C14	C15	N16	179.4°	179.8°
C13	C14	C15	C9	0.7°	0.0°
C11	C13	C14	C15	0.5°	0.1°
C13	C11	F12	C10	179.6°	180.0°
C13	C11	C10	C9	0.3°	0.0°
C13	C11	C10	H3	179.6°	180.0°
C11	C13	C14	H5	179.5°	179.9°
O18	C17	N16	C15	168.6°	10.7°
O18	C17	N16	C6	28.7°	169.3°
C17	N16	C15	C14	40.9°	13.5°
C17	N16	C15	C6	162.8°	179.9°
C17	N16	C15	C9	139.2°	166.3°
C17	N16	C6	C7	113.9°	138.0°
C17	N16	C6	C5	121.5°	102.4°
C17	N16	C6	H14	1.5°	18.5°
C14	C15	N16	C9	179.9°	179.8°
C14	C15	C9	C10	0.4°	0.2°
C14	C15	N16	C6	156.2°	166.4°
C14	C15	C9	O8	177.8°	179.8°
C15	C14	C13	H4	179.5°	180.0°
F12	C11	C10	C9	179.9°	180.0°
F12	C11	C10	H3	0.1°	0.1°
F12	C11	C13	H4	0.4°	0.0°
C11	C10	C9	C15	0.1°	0.2°
C11	C10	C9	H3	180.0°	179.9°
C11	C10	C9	O8	178.5°	179.8°
C10	C11	C13	H4	179.9°	180.0°
N16	C15	C9	C10	179.7°	179.7°
N16	C15	C9	O8	2.1°	0.3°
C15	N16	C6	C7	51.0°	42.0°
C15	N16	C6	C5	73.7°	77.5°
N16	C15	C14	H5	0.6°	0.2°
C15	N16	C6	H14	166.3°	161.5°
C15	C9	C10	O8	178.4°	180.0°
C9	C15	N16	C6	23.7°	13.8°
C15	C9	O8	C7	11.8°	20.2°
C15	C9	C10	H3	179.9°	179.9°
C9	C15	C14	H5	179.3°	179.9°
C10	C9	O8	C7	169.9°	159.8°
N16	C6	C7	O8	60.6°	58.3°
N16	C6	C7	C5	127.6°	119.5°
N16	C6	C7	H14	115.9°	119.6°
N16	C6	C5	H14	120.4°	121.0°
N16	C6	C5	S2	60.8°	61.9°
N16	C6	C7	H1	179.0°	61.5°
N16	C6	C7	H2	59.8°	178.0°
N16	C6	C5	H12	59.8°	178.1°
N16	C6	C5	H13	178.6°	58.1°
C9	O8	C7	C6	40.9°	49.5°
C9	O8	C7	H1	161.3°	70.3°
C9	O8	C7	H2	79.5°	169.3°
O8	C9	C10	H3	1.5°	0.1°
O8	C7	C6	H1	120.4°	119.8°
O8	C7	C6	H2	120.4°	119.7°
O8	C7	C6	C5	67.0°	61.3°
O8	C7	H1	H2	118.8°	120.3°
O8	C7	C6	H14	176.5°	177.9°
C7	C6	C5	H14	116.5°	120.9°
C7	C6	C5	S2	176.1°	180.0°
C6	C7	H1	H2	118.8°	120.4°
C7	C6	C5	H12	63.2°	60.0°
C7	C6	C5	H13	55.5°	60.0°
C6	C5	S2	O4	61.0°	68.4°
C6	C5	S2	H12	120.6°	120.0°
C6	C5	S2	H13	120.6°	119.9°
C6	C5	S2	N1	55.3°	180.0°
C6	C5	S2	O3	166.6°	68.4°
C5	C6	C7	H1	53.4°	178.9°
C5	C6	C7	H2	172.6°	58.5°
C6	C5	H12	H13	118.0°	120.0°
O4	S2	C5	N1	116.3°	111.7°
O4	S2	C5	O3	132.4°	136.7°
O4	S2	N1	O3	134.8°	127.9°
O4	S2	N1	H10	180.0°	153.9°
O4	S2	N1	H11	60.0°	26.1°
O4	S2	C5	H12	59.6°	51.7°
O4	S2	C5	H13	178.4°	171.7°
C5	S2	N1	O3	110.0°	116.0°
C5	S2	N1	H10	64.7°	90.0°
C5	S2	N1	H11	55.3°	90.0°
S2	C5	H12	H13	118.1°	120.0°
S2	C5	C6	H14	59.7°	59.1°
S2	N1	H10	H11	120.0°	180.0°
N1	S2	C5	H12	175.9°	60.0°
N1	S2	C5	H13	65.4°	60.0°
O3	S2	N1	H10	45.3°	26.0°
O3	S2	N1	H11	165.3°	154.0°
O3	S2	C5	H12	72.8°	171.6°
O3	S2	C5	H13	46.0°	51.6°
H1	C7	C6	H14	63.1°	58.1°
H2	C7	C6	H14	56.1°	62.4°
H4	C13	C14	H5	0.4°	0.1°
H6	C20	C21	H7	0.7°	0.0°
H12	C5	C6	H14	179.7°	60.9°
H13	C5	C6	H14	61.0°	179.1°

Release date:	2019-01-09
Definition date:	2018-05-04
Last modified:	2019-01-04
Release status:	REL
Processing site:	EBI
Derived from:	6GG8