8LY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N16	C15	doub	1.31Å	1.32Å	Aromatic
N16	C17	sing	1.34Å	1.35Å	Aromatic
C15	C14	sing	1.39Å	1.40Å	Aromatic
C18	C17	doub	1.38Å	1.38Å	Aromatic
C18	N19	sing	1.34Å	1.35Å	Aromatic
C17	C28	sing	1.47Å	1.47Å	Aromatic
N19	C20	sing	1.46Å	1.47Å
N19	N27	sing	1.40Å	1.40Å	Aromatic
C14	C13	doub	1.38Å	1.40Å	Aromatic
C20	C21	sing	1.53Å	1.54Å
C3	C4	doub	1.38Å	1.39Å	Aromatic
C3	C2	sing	1.38Å	1.39Å	Aromatic
C28	C13	sing	1.46Å	1.46Å	Aromatic
C28	N27	doub	1.32Å	1.31Å	Aromatic
F1	C2	sing	1.35Å	1.35Å
C4	C5	sing	1.39Å	1.39Å	Aromatic
C13	N12	sing	1.39Å	1.40Å
C2	C8	doub	1.39Å	1.42Å	Aromatic
C5	CL6	sing	1.74Å	1.73Å
C5	C7	doub	1.38Å	1.38Å	Aromatic
C21	C22	sing	1.53Å	1.54Å
C21	C26	sing	1.53Å	1.54Å
C22	C23	sing	1.53Å	1.54Å
C8	C7	sing	1.39Å	1.40Å	Aromatic
C8	C9	sing	1.48Å	1.49Å
C10	C9	doub	1.39Å	1.39Å	Aromatic
C10	C11	sing	1.39Å	1.40Å	Aromatic
N12	C11	sing	1.39Å	1.40Å
C26	C25	sing	1.53Å	1.54Å
C9	N31	sing	1.33Å	1.34Å	Aromatic
C11	C29	doub	1.40Å	1.41Å	Aromatic
C23	N24	sing	1.47Å	1.48Å
C25	N24	sing	1.47Å	1.48Å
N31	C30	doub	1.32Å	1.33Å	Aromatic
C29	C30	sing	1.38Å	1.39Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.08Å	1.08Å
C10	H3	sing	1.08Å	1.08Å
N12	H4	sing	0.97Å	1.00Å
C15	H5	sing	1.08Å	1.08Å
C20	H6	sing	1.09Å	1.10Å
C20	H7	sing	1.09Å	1.10Å
C21	H8	sing	1.09Å	1.10Å
C22	H9	sing	1.09Å	1.10Å
C22	H10	sing	1.09Å	1.10Å
C26	H11	sing	1.09Å	1.10Å
C26	H12	sing	1.09Å	1.10Å
C3	H13	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
C18	H15	sing	1.08Å	1.08Å
C23	H16	sing	1.09Å	1.10Å
C23	H17	sing	1.09Å	1.10Å
N24	H18	sing	1.01Å	1.00Å
C25	H20	sing	1.09Å	1.10Å
C25	H21	sing	1.09Å	1.10Å
C29	H22	sing	1.08Å	1.08Å
C30	H23	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C15	N16	C17	122.6°	122.0°
N16	C15	C14	122.8°	123.3°
N16	C15	H5	118.6°	118.3°
N16	C17	C18	135.9°	134.6°
N16	C17	C28	118.4°	119.2°
C15	C14	C13	120.6°	120.4°
C14	C15	H5	118.6°	118.4°
C15	C14	H14	119.7°	119.8°
C17	C18	N19	108.1°	108.0°
C18	C17	C28	105.7°	106.2°
C17	C18	H15	125.9°	126.0°
C18	N19	C20	125.6°	125.1°
C18	N19	N27	109.5°	109.8°
N19	C18	H15	126.0°	126.0°
C17	C28	C13	118.8°	117.8°
C17	C28	N27	107.5°	107.2°
C20	N19	N27	124.9°	125.1°
N19	C20	C21	112.2°	109.5°
N19	C20	H6	108.8°	109.5°
N19	C20	H7	108.8°	109.4°
N19	N27	C28	109.2°	108.8°
C14	C13	C28	117.0°	117.3°
C14	C13	N12	125.8°	121.4°
C13	C14	H14	119.7°	119.8°
C20	C21	C22	109.8°	109.5°
C20	C21	C26	113.0°	109.5°
C21	C20	H6	108.8°	109.5°
C21	C20	H7	108.8°	109.4°
C20	C21	H8	107.6°	109.6°
C4	C3	C2	119.5°	120.1°
C3	C4	C5	120.2°	120.3°
C3	C4	H1	119.9°	119.9°
C4	C3	H13	120.3°	119.9°
C3	C2	F1	117.9°	120.1°
C3	C2	C8	120.6°	119.8°
C2	C3	H13	120.3°	120.0°
C13	C28	N27	133.7°	135.1°
C28	C13	N12	117.3°	121.3°
F1	C2	C8	121.5°	120.1°
C4	C5	CL6	120.4°	119.9°
C4	C5	C7	120.9°	120.1°
C5	C4	H1	119.9°	119.8°
C13	N12	C11	126.8°	120.0°
C13	N12	H4	116.6°	120.0°
C2	C8	C7	118.9°	119.8°
C2	C8	C9	123.4°	120.1°
CL6	C5	C7	118.7°	119.9°
C5	C7	C8	119.9°	119.9°
C5	C7	H2	120.0°	120.1°
C22	C21	C26	110.8°	109.2°
C21	C22	C23	110.7°	109.3°
C22	C21	H8	107.7°	109.5°
C21	C22	H9	109.2°	109.5°
C21	C22	H10	109.2°	109.5°
C21	C26	C25	108.5°	109.3°
C26	C21	H8	107.7°	109.5°
C21	C26	H11	109.7°	109.5°
C21	C26	H12	109.7°	109.5°
C22	C23	N24	111.8°	109.5°
C23	C22	H9	109.1°	109.5°
C23	C22	H10	109.2°	109.5°
C22	C23	H16	108.9°	109.4°
C22	C23	H17	108.9°	109.5°
C7	C8	C9	117.7°	120.1°
C8	C7	H2	120.1°	120.0°
C8	C9	C10	119.5°	119.7°
C8	C9	N31	121.4°	119.7°
C9	C10	C11	120.2°	119.0°
C10	C9	N31	119.2°	120.7°
C9	C10	H3	119.9°	120.5°
C10	C11	N12	120.6°	120.8°
C10	C11	C29	118.5°	118.4°
C11	C10	H3	119.9°	120.5°
N12	C11	C29	120.9°	120.8°
C11	N12	H4	116.6°	120.0°
C26	C25	N24	109.7°	109.5°
C25	C26	H11	109.7°	109.5°
C25	C26	H12	109.7°	109.5°
C26	C25	H20	109.4°	109.4°
C26	C25	H21	109.4°	109.5°
C9	N31	C30	122.7°	121.7°
C11	C29	C30	118.7°	119.3°
C11	C29	H22	120.6°	120.4°
C23	N24	C25	113.7°	111.2°
N24	C23	H16	108.9°	109.5°
N24	C23	H17	108.9°	109.5°
C23	N24	H18	108.4°	111.0°
C25	N24	H18	108.4°	111.0°
N24	C25	H20	109.4°	109.4°
N24	C25	H21	109.4°	109.5°
N31	C30	C29	120.7°	121.0°
N31	C30	H23	119.6°	119.5°
C30	C29	H22	120.7°	120.4°
C29	C30	H23	119.6°	119.5°
H6	C20	H7	109.5°	109.5°
H9	C22	H10	109.4°	109.6°
H11	C26	H12	109.5°	109.6°
H16	C23	H17	109.5°	109.4°
H20	C25	H21	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N16	C15	C14	H5	180.0°	179.9°
C15	N16	C17	C18	179.7°	179.8°
C15	N16	C17	C28	0.2°	0.1°
N16	C15	C14	C13	0.1°	0.0°
N16	C15	C14	H14	179.9°	179.9°
C17	N16	C15	C14	0.3°	0.1°
N16	C17	C18	C28	180.0°	179.9°
N16	C17	C18	N19	180.0°	179.9°
N16	C17	C28	C13	0.0°	0.1°
N16	C17	C28	N27	180.0°	179.9°
C17	N16	C15	H5	179.7°	179.8°
N16	C17	C18	H15	0.0°	0.1°
C15	C14	C13	H14	180.0°	179.9°
C15	C14	C13	C28	0.2°	0.2°
C15	C14	C13	N12	179.7°	180.0°
C17	C18	N19	H15	180.0°	179.9°
C17	C18	N19	C20	179.6°	180.0°
C17	C18	N19	N27	0.1°	0.0°
C18	C17	C28	C13	180.0°	180.0°
C18	C17	C28	N27	0.0°	0.0°
N19	C18	C17	C28	0.0°	0.0°
C18	N19	C20	N27	179.6°	179.9°
C18	N19	C20	C21	159.3°	125.0°
C18	N19	N27	C28	0.1°	0.0°
C18	N19	C20	H6	80.4°	5.0°
C18	N19	C20	H7	38.8°	115.1°
C17	C28	N27	N19	0.1°	0.0°
C17	C28	C13	C14	0.2°	0.2°
C17	C28	C13	N27	180.0°	180.0°
C17	C28	C13	N12	179.8°	180.0°
C28	C17	C18	H15	180.0°	179.9°
N19	C20	C21	H6	120.4°	120.0°
N19	C20	C21	H7	120.4°	119.9°
C20	N19	N27	C28	179.6°	180.0°
N19	C20	C21	C22	172.9°	175.0°
N19	C20	C21	C26	62.8°	65.3°
N19	C20	H6	H7	118.8°	120.0°
N19	C20	C21	H8	55.9°	54.8°
C20	N19	C18	H15	0.4°	0.1°
N27	N19	C20	C21	20.3°	55.0°
N19	N27	C28	C13	179.9°	180.0°
N27	N19	C20	H6	100.0°	175.0°
N27	N19	C20	H7	140.8°	65.0°
N27	N19	C18	H15	180.0°	180.0°
C14	C13	C28	N12	179.6°	179.8°
C14	C13	C28	N27	179.8°	179.8°
C14	C13	N12	C11	4.8°	7.5°
C14	C13	N12	H4	175.2°	172.5°
C13	C14	C15	H5	179.9°	179.9°
C20	C21	C22	C26	125.6°	119.9°
C20	C21	C22	H8	116.9°	120.2°
C20	C21	C26	H8	118.7°	120.2°
C20	C21	C22	C23	179.8°	177.5°
C20	C21	C26	C25	177.7°	177.6°
C21	C20	H6	H7	118.8°	120.0°
C20	C21	C22	H9	60.0°	62.5°
C20	C21	C22	H10	59.6°	57.7°
C20	C21	C26	H11	62.4°	57.7°
C20	C21	C26	H12	57.9°	62.5°
C4	C3	C2	H13	180.0°	179.6°
C4	C3	C2	F1	179.6°	179.7°
C3	C4	C5	H1	180.0°	179.7°
C4	C3	C2	C8	0.2°	0.4°
C3	C4	C5	CL6	180.0°	179.7°
C3	C4	C5	C7	0.1°	0.3°
C3	C2	F1	C8	179.4°	179.8°
C2	C3	C4	C5	0.3°	0.5°
C3	C2	C8	C7	0.9°	0.2°
C3	C2	C8	C9	178.9°	179.8°
C2	C3	C4	H1	179.7°	179.8°
C28	C13	N12	C11	175.7°	172.3°
C28	C13	N12	H4	4.3°	7.7°
C28	C13	C14	H14	179.8°	179.7°
N27	C28	C13	N12	0.2°	0.0°
F1	C2	C8	C7	179.8°	180.0°
F1	C2	C8	C9	1.8°	0.1°
F1	C2	C3	H13	0.4°	0.2°
C4	C5	CL6	C7	179.9°	180.0°
C4	C5	C7	C8	0.5°	0.0°
C4	C5	C7	H2	179.5°	179.9°
C5	C4	C3	H13	179.7°	179.9°
C13	N12	C11	C10	43.0°	139.0°
C13	N12	C11	H4	180.0°	180.0°
C13	N12	C11	C29	138.0°	41.0°
N12	C13	C14	H14	0.3°	0.1°
C2	C8	C7	C5	1.0°	0.0°
C2	C8	C7	C9	178.1°	179.9°
C2	C8	C9	C10	33.4°	174.5°
C2	C8	C9	N31	148.3°	5.5°
C2	C8	C7	H2	179.0°	180.0°
C8	C2	C3	H13	179.8°	180.0°
CL6	C5	C7	C8	179.3°	180.0°
CL6	C5	C4	H1	0.0°	0.1°
CL6	C5	C7	H2	0.7°	0.0°
C5	C7	C8	H2	180.0°	180.0°
C5	C7	C8	C9	179.1°	180.0°
C7	C5	C4	H1	179.9°	180.0°
C22	C21	C26	H8	117.5°	119.9°
C21	C22	C23	H9	120.2°	119.9°
C21	C22	C23	H10	120.2°	119.9°
C22	C21	C26	C25	58.5°	57.6°
C21	C22	C23	N24	51.1°	59.2°
C22	C21	C20	H6	52.5°	65.0°
C22	C21	C20	H7	66.7°	55.0°
C21	C22	H9	H10	119.4°	120.1°
C22	C21	C26	H11	61.3°	62.3°
C22	C21	C26	H12	178.4°	177.6°
C21	C22	C23	H16	69.3°	60.9°
C21	C22	C23	H17	171.4°	179.2°
C26	C21	C22	C23	54.2°	57.6°
C21	C26	C25	H11	119.8°	119.9°
C21	C26	C25	H12	119.9°	119.9°
C21	C26	C25	N24	59.9°	59.2°
C26	C21	C20	H6	176.8°	54.7°
C26	C21	C20	H7	57.6°	174.7°
C26	C21	C22	H9	174.4°	177.6°
C26	C21	C22	H10	66.0°	62.2°
C21	C26	H11	H12	120.5°	120.1°
C21	C26	C25	H20	179.9°	179.2°
C21	C26	C25	H21	60.1°	60.9°
C22	C23	N24	H16	120.3°	120.0°
C22	C23	N24	H17	120.4°	120.0°
C22	C23	N24	C25	54.7°	61.8°
C23	C22	C21	H8	63.3°	62.3°
C23	C22	H9	H10	119.4°	120.1°
C22	C23	H16	H17	118.9°	119.9°
C22	C23	N24	H18	175.3°	174.2°
C7	C8	C9	C10	144.6°	5.6°
C7	C8	C9	N31	33.7°	174.5°
C8	C9	C10	N31	178.3°	179.9°
C8	C9	C10	C11	178.6°	180.0°
C8	C9	N31	C30	178.9°	180.0°
C9	C8	C7	H2	0.9°	0.1°
C8	C9	C10	H3	1.4°	0.2°
C9	C10	C11	H3	180.0°	179.8°
C9	C10	C11	N12	179.3°	179.9°
C9	C10	C11	C29	0.3°	0.1°
C10	C9	N31	C30	0.6°	0.0°
C10	C11	N12	C29	179.0°	179.9°
C11	C10	C9	N31	0.3°	0.1°
C10	C11	C29	C30	0.6°	0.1°
C10	C11	N12	H4	137.0°	41.0°
C10	C11	C29	H22	179.4°	179.9°
N12	C11	C29	C30	179.7°	180.0°
N12	C11	C10	H3	0.6°	0.2°
N12	C11	C29	H22	0.3°	0.0°
C26	C25	N24	C23	59.2°	61.8°
C26	C25	N24	H20	120.0°	120.0°
C26	C25	N24	H21	120.0°	120.1°
C25	C26	C21	H8	59.0°	62.3°
C25	C26	H11	H12	120.5°	120.1°
C26	C25	N24	H18	179.9°	174.2°
C26	C25	H20	H21	119.9°	120.0°
C9	N31	C30	C29	0.3°	0.0°
N31	C9	C10	H3	179.7°	179.7°
C9	N31	C30	H23	179.7°	180.0°
C11	C29	C30	N31	0.3°	0.0°
C11	C29	C30	H22	180.0°	180.0°
C29	C11	C10	H3	179.7°	179.7°
C29	C11	N12	H4	42.0°	139.0°
C11	C29	C30	H23	179.7°	180.0°
C23	N24	C25	H18	120.6°	124.1°
N24	C23	C22	H9	171.3°	179.1°
N24	C23	C22	H10	69.2°	60.7°
N24	C23	H16	H17	119.0°	120.0°
C23	N24	C25	H20	179.3°	178.2°
C23	N24	C25	H21	60.8°	58.3°
N24	C25	C26	H11	59.9°	60.7°
N24	C25	C26	H12	179.8°	179.1°
C25	N24	C23	H16	65.7°	58.2°
C25	N24	C23	H17	175.0°	178.2°
N24	C25	H20	H21	119.9°	120.0°
N31	C30	C29	H23	180.0°	180.0°
N31	C30	C29	H22	179.7°	180.0°
H1	C4	C3	H13	0.3°	0.3°
H5	C15	C14	H14	0.1°	0.0°
H6	C20	C21	H8	64.5°	174.8°
H7	C20	C21	H8	176.3°	65.1°
H8	C21	C22	H9	56.9°	57.6°
H8	C21	C22	H10	176.5°	177.8°
H8	C21	C26	H11	178.9°	177.8°
H8	C21	C26	H12	60.9°	57.7°
H9	C22	C23	H16	50.9°	59.1°
H9	C22	C23	H17	68.3°	60.8°
H10	C22	C23	H16	170.5°	179.2°
H10	C22	C23	H17	51.2°	59.3°
H11	C26	C25	H20	60.1°	59.3°
H11	C26	C25	H21	180.0°	179.2°
H12	C26	C25	H20	60.2°	60.9°
H12	C26	C25	H21	59.7°	59.1°
H16	C23	N24	H18	55.0°	65.8°
H17	C23	N24	H18	64.4°	54.2°
H18	N24	C25	H20	60.1°	54.2°
H18	N24	C25	H21	59.9°	65.8°
H22	C29	C30	H23	0.3°	0.0°

Release date:	2017-04-12
Definition date:	2017-02-15
Last modified:	2017-04-07
Release status:	REL
Processing site:	RCSB
Derived from:	5USQ