ELW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O20	C18	doub	1.22Å	1.22Å
F26	C25	sing	1.35Å	1.34Å
C27	C25	doub	1.38Å	1.37Å	Aromatic
C27	C21	sing	1.39Å	1.38Å	Aromatic
C18	N19	sing	1.35Å	1.37Å
C18	C17	sing	1.47Å	1.44Å
C25	C24	sing	1.39Å	1.37Å	Aromatic
C21	C17	sing	1.47Å	1.41Å	Aromatic
C21	C22	doub	1.41Å	1.38Å	Aromatic
C17	N16	doub	1.32Å	1.33Å	Aromatic
C24	C23	doub	1.38Å	1.37Å	Aromatic
C22	C23	sing	1.39Å	1.38Å	Aromatic
C22	N15	sing	1.37Å	1.37Å	Aromatic
N16	N15	sing	1.28Å	1.35Å	Aromatic
N15	C13	sing	1.40Å	1.41Å
C13	C14	doub	1.39Å	1.38Å	Aromatic
C13	N12	sing	1.33Å	1.34Å	Aromatic
C14	C9	sing	1.40Å	1.37Å	Aromatic
N12	C11	doub	1.32Å	1.34Å	Aromatic
C1	N2	sing	1.46Å	1.44Å
N2	C3	sing	1.38Å	1.43Å
N2	C28	sing	1.35Å	1.36Å
C9	C8	sing	1.43Å	1.42Å
C9	C10	doub	1.40Å	1.37Å	Aromatic
C11	C10	sing	1.38Å	1.38Å	Aromatic
O29	C28	doub	1.21Å	1.22Å
C3	C4	doub	1.32Å	1.51Å
C28	C5	sing	1.52Å	1.50Å
C8	C7	trip	1.17Å	1.21Å
C7	C5	sing	1.47Å	1.47Å
C4	C5	sing	1.51Å	1.51Å
C5	O6	sing	1.43Å	1.42Å
C4	H1	sing	1.08Å	1.08Å
C14	H2	sing	1.08Å	1.08Å
C11	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.08Å	1.08Å
C3	H5	sing	1.08Å	1.08Å
C1	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
O6	H9	sing	0.97Å	0.95Å
N19	H10	sing	0.97Å	1.00Å
N19	H11	sing	0.97Å	1.00Å
C23	H12	sing	1.08Å	1.08Å
C24	H13	sing	1.08Å	1.08Å
C27	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O20	C18	N19	124.6°	120.0°
O20	C18	C17	122.4°	119.9°
F26	C25	C27	118.5°	119.9°
F26	C25	C24	118.6°	119.8°
C25	C27	C21	116.4°	119.5°
C27	C25	C24	122.9°	120.3°
C25	C27	H14	121.8°	120.2°
C27	C21	C17	134.1°	135.4°
C27	C21	C22	120.3°	120.2°
C21	C27	H14	121.8°	120.3°
N19	C18	C17	112.9°	120.0°
C18	N19	H10	120.0°	120.0°
C18	N19	H11	120.0°	120.0°
C18	C17	C21	127.2°	126.8°
C18	C17	N16	121.6°	126.8°
C25	C24	C23	121.1°	120.7°
C25	C24	H13	119.5°	119.6°
C17	C21	C22	105.5°	104.4°
C21	C17	N16	111.2°	106.4°
C21	C22	C23	123.3°	119.4°
C21	C22	N15	105.4°	106.0°
C17	N16	N15	104.6°	112.0°
C24	C23	C22	116.0°	119.8°
C24	C23	H12	122.0°	120.1°
C23	C24	H13	119.4°	119.7°
C23	C22	N15	131.3°	134.5°
C22	C23	H12	122.0°	120.1°
C22	N15	N16	113.2°	111.1°
C22	N15	C13	126.5°	124.5°
N16	N15	C13	120.3°	124.4°
N15	C13	C14	116.8°	119.7°
N15	C13	N12	119.7°	119.6°
C14	C13	N12	123.5°	120.8°
C13	C14	C9	118.5°	118.9°
C13	C14	H2	120.8°	120.5°
C13	N12	C11	116.4°	121.9°
C14	C9	C8	118.0°	120.9°
C14	C9	C10	119.7°	118.2°
C9	C14	H2	120.8°	120.5°
N12	C11	C10	124.4°	121.0°
N12	C11	H3	117.8°	119.5°
C1	N2	C3	121.8°	124.2°
C1	N2	C28	123.8°	124.2°
N2	C1	H6	109.5°	109.5°
N2	C1	H7	109.5°	109.5°
N2	C1	H8	109.5°	109.4°
C3	N2	C28	114.5°	111.6°
N2	C3	C4	105.0°	112.5°
N2	C3	H5	127.5°	123.8°
N2	C28	O29	127.3°	127.1°
N2	C28	C5	108.3°	105.6°
C8	C9	C10	122.3°	120.9°
C9	C8	C7	172.6°	180.0°
C9	C10	C11	117.5°	119.1°
C9	C10	H4	121.2°	120.4°
C10	C11	H3	117.8°	119.4°
C11	C10	H4	121.2°	120.5°
O29	C28	C5	124.4°	127.2°
C3	C4	C5	106.6°	106.6°
C3	C4	H1	126.7°	126.8°
C4	C3	H5	127.5°	123.7°
C28	C5	C7	109.8°	110.7°
C28	C5	C4	105.5°	103.7°
C28	C5	O6	104.5°	110.6°
C8	C7	C5	171.5°	179.9°
C7	C5	C4	113.4°	110.6°
C7	C5	O6	112.1°	110.5°
C4	C5	O6	111.0°	110.6°
C5	C4	H1	126.7°	126.7°
C5	O6	H9	109.5°	114.0°
H6	C1	H7	109.5°	109.4°
H6	C1	H8	109.5°	109.5°
H7	C1	H8	109.5°	109.5°
H10	N19	H11	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O20	C18	N19	C17	178.3°	179.9°
O20	C18	C17	C21	5.4°	0.1°
O20	C18	C17	N16	175.4°	180.0°
O20	C18	N19	H10	0.0°	180.0°
O20	C18	N19	H11	180.0°	0.1°
F26	C25	C27	C24	180.0°	179.8°
F26	C25	C27	C21	180.0°	179.8°
F26	C25	C24	C23	179.8°	180.0°
F26	C25	C24	H13	0.2°	0.0°
F26	C25	C27	H14	0.0°	0.3°
C25	C27	C21	H14	180.0°	179.5°
C25	C27	C21	C17	180.0°	179.9°
C25	C27	C21	C22	0.2°	0.4°
C27	C25	C24	C23	0.3°	0.2°
C27	C25	C24	H13	179.7°	179.7°
C27	C21	C17	C18	0.6°	0.0°
C21	C27	C25	C24	0.1°	0.5°
C27	C21	C17	C22	179.8°	179.7°
C27	C21	C17	N16	179.8°	180.0°
C27	C21	C22	C23	0.2°	0.2°
C27	C21	C22	N15	179.8°	179.9°
N19	C18	C17	C21	172.9°	180.0°
N19	C18	C17	N16	6.2°	0.0°
C18	N19	H10	H11	180.0°	180.0°
C18	C17	C21	N16	179.2°	180.0°
C18	C17	C21	C22	179.2°	179.7°
C18	C17	N16	N15	179.2°	179.9°
C17	C18	N19	H10	178.3°	0.0°
C17	C18	N19	H11	1.7°	180.0°
C25	C24	C23	H13	180.0°	179.9°
C25	C24	C23	C22	0.2°	0.0°
C25	C24	C23	H12	179.8°	180.0°
C24	C25	C27	H14	179.9°	180.0°
C17	C21	C22	C23	179.9°	180.0°
C17	C21	C22	N15	0.1°	0.3°
C21	C17	N16	N15	0.1°	0.1°
C17	C21	C27	H14	0.0°	0.4°
C22	C21	C17	N16	0.0°	0.2°
C21	C22	C23	C24	0.0°	0.1°
C21	C22	C23	N15	180.0°	179.6°
C21	C22	N15	N16	0.1°	0.3°
C21	C22	N15	C13	178.8°	179.9°
C21	C22	C23	H12	180.0°	180.0°
C22	C21	C27	H14	179.8°	179.9°
C17	N16	N15	C22	0.1°	0.2°
C17	N16	N15	C13	178.9°	179.9°
C24	C23	C22	H12	180.0°	180.0°
C24	C23	C22	N15	180.0°	179.5°
C23	C22	N15	N16	179.9°	180.0°
C23	C22	N15	C13	1.2°	0.3°
C22	C23	C24	H13	179.8°	180.0°
C22	N15	N16	C13	178.7°	179.8°
C22	N15	C13	C14	169.6°	154.7°
C22	N15	C13	N12	11.5°	25.3°
N15	C22	C23	H12	0.0°	0.4°
N16	N15	C13	C14	11.9°	25.0°
N16	N15	C13	N12	167.1°	155.0°
N15	C13	C14	N12	178.9°	180.0°
N15	C13	C14	C9	178.8°	180.0°
N15	C13	N12	C11	178.9°	179.4°
N15	C13	C14	H2	1.2°	0.3°
C13	C14	C9	H2	180.0°	179.7°
C14	C13	N12	C11	0.0°	0.6°
C13	C14	C9	C8	180.0°	179.7°
C13	C14	C9	C10	0.1°	0.3°
N12	C13	C14	C9	0.1°	0.0°
C13	N12	C11	C10	0.1°	0.9°
N12	C13	C14	H2	179.9°	179.7°
C13	N12	C11	H3	179.9°	179.6°
C14	C9	C8	C10	179.9°	180.0°
C14	C9	C10	C11	0.0°	0.0°
C14	C9	C8	C7	66.2°	43.2°
C14	C9	C10	H4	180.0°	180.0°
N12	C11	C10	C9	0.1°	0.6°
N12	C11	C10	H3	180.0°	179.4°
N12	C11	C10	H4	179.9°	179.4°
C1	N2	C3	C28	179.9°	179.7°
C1	N2	C28	O29	0.2°	0.3°
C1	N2	C3	C4	177.2°	180.0°
C1	N2	C28	C5	179.9°	179.9°
C1	N2	C3	H5	2.8°	0.3°
N2	C1	H6	H7	120.0°	120.0°
N2	C1	H6	H8	120.0°	120.0°
N2	C1	H7	H8	120.0°	120.0°
C3	N2	C28	O29	179.9°	180.0°
N2	C3	C4	H5	180.0°	179.7°
C3	N2	C28	C5	0.1°	0.5°
N2	C3	C4	C5	4.5°	0.0°
N2	C3	C4	H1	175.5°	179.7°
C3	N2	C1	H6	180.0°	0.0°
C3	N2	C1	H7	60.0°	120.0°
C3	N2	C1	H8	60.0°	120.1°
N2	C28	O29	C5	180.0°	179.5°
C28	N2	C3	C4	2.9°	0.3°
N2	C28	C5	C7	125.5°	118.3°
N2	C28	C5	C4	3.0°	0.4°
N2	C28	C5	O6	114.1°	119.0°
C28	N2	C3	H5	177.1°	180.0°
C28	N2	C1	H6	0.1°	179.6°
C28	N2	C1	H7	120.1°	59.7°
C28	N2	C1	H8	119.9°	60.3°
C8	C9	C10	C11	179.9°	180.0°
C9	C8	C7	C5	25.9°	130.8°
C8	C9	C14	H2	0.0°	0.0°
C8	C9	C10	H4	0.1°	0.0°
C9	C10	C11	H4	180.0°	180.0°
C10	C9	C8	C7	113.7°	136.8°
C10	C9	C14	H2	179.9°	180.0°
C9	C10	C11	H3	179.9°	179.9°
O29	C28	C5	C7	54.5°	61.3°
O29	C28	C5	C4	177.0°	180.0°
O29	C28	C5	O6	65.9°	61.4°
C3	C4	C5	C28	4.6°	0.2°
C3	C4	C5	C7	124.8°	118.5°
C3	C4	C5	H1	180.0°	179.7°
C3	C4	C5	O6	108.1°	118.8°
C28	C5	C7	C8	2.2°	108.3°
C28	C5	C7	C4	117.7°	114.4°
C28	C5	C7	O6	115.7°	122.8°
C28	C5	C4	O6	112.6°	118.6°
C28	C5	C4	H1	175.4°	180.0°
C28	C5	O6	H9	22.5°	175.7°
C8	C7	C5	C4	115.4°	6.1°
C8	C7	C5	O6	118.0°	128.9°
C7	C5	C4	O6	127.2°	122.7°
C7	C5	C4	H1	55.2°	61.3°
C7	C5	O6	H9	96.4°	61.4°
C5	C4	C3	H5	175.5°	179.7°
C4	C5	O6	H9	135.7°	61.4°
O6	C5	C4	H1	71.9°	61.5°
H1	C4	C3	H5	4.5°	0.1°
H3	C11	C10	H4	0.1°	0.1°
H6	C1	H7	H8	120.0°	120.1°
H12	C23	C24	H13	0.2°	0.1°

Release date:	2018-07-04
Definition date:	2018-03-29
Last modified:	2018-06-29
Release status:	REL
Processing site:	EBI
Derived from:	6G4Z