Y59

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C28	C27	sing	0.00Å	1.50Å
C28	C25	sing	0.00Å	1.51Å
C27	C25	sing	0.00Å	1.51Å
C25	C24	sing	0.00Å	1.54Å
C25	N26	sing	0.00Å	1.52Å
C24	N23	sing	0.00Å	1.50Å
C11	C12	doub	0.00Å	1.41Å	Aromatic
C11	C10	sing	0.00Å	1.40Å	Aromatic
N23	C10	sing	0.00Å	1.42Å
N23	C22	sing	0.00Å	1.50Å
C12	C13	sing	0.00Å	1.40Å	Aromatic
C10	C15	doub	0.00Å	1.40Å	Aromatic
N26	C21	sing	0.00Å	1.51Å
C22	C21	sing	0.00Å	1.55Å
C13	N20	sing	0.00Å	1.38Å
C13	N14	doub	0.00Å	1.41Å	Aromatic
C15	N14	sing	0.00Å	1.43Å	Aromatic
N20	C19	sing	0.00Å	1.41Å
N14	C16	sing	0.00Å	1.38Å
C29	C3	sing	0.00Å	1.52Å
C2	C3	doub	0.00Å	1.41Å	Aromatic
C2	C1	sing	0.00Å	1.43Å	Aromatic
C19	C1	sing	0.00Å	1.47Å
C19	C18	doub	0.00Å	1.41Å
C16	C18	sing	0.00Å	1.47Å
C16	O17	doub	0.00Å	1.24Å
C3	C4	sing	0.00Å	1.40Å	Aromatic
C1	N6	doub	0.00Å	1.35Å	Aromatic
C4	N5	sing	0.00Å	1.37Å	Aromatic
C4	N9	doub	0.00Å	1.38Å	Aromatic
N6	N5	sing	0.00Å	1.35Å	Aromatic
N5	C7	sing	0.00Å	1.38Å	Aromatic
N9	C8	sing	0.00Å	1.38Å	Aromatic
C7	C8	doub	0.00Å	1.37Å	Aromatic
C8	C30	sing	0.00Å	1.48Å
C7	H7	sing	0.00Å	1.08Å
C2	H2	sing	0.00Å	1.08Å
C11	H11	sing	0.00Å	1.08Å
C12	H12	sing	0.00Å	1.08Å
C15	H15	sing	0.00Å	1.08Å
C18	H18	sing	0.00Å	1.08Å
N20	H20	sing	0.00Å	1.00Å
C21	H21B	sing	0.00Å	1.10Å
C21	H21A	sing	0.00Å	1.10Å
C22	H22B	sing	0.00Å	1.10Å
C22	H22A	sing	0.00Å	1.10Å
C24	H24B	sing	0.00Å	1.10Å
C24	H24A	sing	0.00Å	1.10Å
N26	H26B	sing	0.00Å	1.00Å
C27	H27A	sing	0.00Å	1.10Å
C27	H27B	sing	0.00Å	1.10Å
C28	H28B	sing	0.00Å	1.10Å
C28	H28A	sing	0.00Å	1.10Å
C29	H29B	sing	0.00Å	1.10Å
C29	H29A	sing	0.00Å	1.10Å
C29	H29C	sing	0.00Å	1.10Å
C30	H30C	sing	0.00Å	1.10Å
C30	H30B	sing	0.00Å	1.10Å
C30	H30A	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C27	C28	C25	60.2°	90.0°
C28	C27	C25	60.0°	90.0°
C28	C27	H27A	120.0°	90.0°
C28	C27	H27B	120.0°	90.0°
C27	C28	H28B	120.0°	90.0°
C27	C28	H28A	120.0°	90.0°
C28	C25	C27	59.8°	90.0°
C28	C25	C24	118.7°	90.0°
C28	C25	N26	117.7°	90.0°
C25	C28	H28B	120.0°	90.0°
C25	C28	H28A	120.0°	90.0°
C27	C25	C24	118.7°	90.0°
C27	C25	N26	116.0°	90.0°
C25	C27	H27A	120.0°	90.0°
C25	C27	H27B	120.0°	90.0°
C24	C25	N26	115.0°	90.0°
C25	C24	N23	113.4°	90.0°
C25	C24	H24B	108.5°	90.0°
C25	C24	H24A	108.5°	90.0°
C25	N26	C21	114.0°	90.0°
C25	N26	H26B	108.3°	90.0°
C24	N23	C10	119.4°	90.0°
C24	N23	C22	115.4°	90.0°
N23	C24	H24B	108.5°	90.0°
N23	C24	H24A	108.5°	90.0°
C12	C11	C10	120.7°	90.0°
C11	C12	C13	121.3°	90.0°
C12	C11	H11	119.7°	90.0°
C11	C12	H12	119.3°	90.0°
C11	C10	N23	120.3°	90.0°
C11	C10	C15	116.7°	90.0°
C10	C11	H11	119.6°	90.0°
C10	N23	C22	124.1°	90.0°
N23	C10	C15	123.0°	90.0°
N23	C22	C21	108.1°	90.0°
N23	C22	H22B	109.8°	90.0°
N23	C22	H22A	109.8°	90.0°
C12	C13	N20	117.4°	90.0°
C12	C13	N14	120.1°	90.0°
C13	C12	H12	119.4°	90.0°
C10	C15	N14	124.3°	90.0°
C10	C15	H15	117.8°	90.0°
N26	C21	C22	108.7°	90.0°
N26	C21	H21B	109.7°	90.0°
N26	C21	H21A	109.7°	90.0°
C21	N26	H26B	108.3°	90.0°
C22	C21	H21B	109.7°	90.0°
C22	C21	H21A	109.7°	90.0°
C21	C22	H22B	109.8°	90.0°
C21	C22	H22A	109.8°	90.0°
N20	C13	N14	122.5°	90.0°
C13	N20	C19	119.7°	90.0°
C13	N20	H20	120.2°	90.0°
C13	N14	C15	116.4°	90.0°
C13	N14	C16	121.8°	90.0°
C15	N14	C16	121.7°	90.0°
N14	C15	H15	117.9°	90.0°
N20	C19	C1	123.4°	90.0°
N20	C19	C18	115.7°	90.0°
C19	N20	H20	120.2°	90.0°
N14	C16	C18	113.3°	90.0°
N14	C16	O17	125.5°	90.0°
C29	C3	C2	122.1°	90.0°
C29	C3	C4	121.9°	90.0°
C3	C29	H29B	109.5°	90.0°
C3	C29	H29A	109.5°	90.0°
C3	C29	H29C	109.4°	90.0°
C3	C2	C1	119.9°	90.0°
C2	C3	C4	116.0°	90.0°
C3	C2	H2	120.1°	90.0°
C2	C1	C19	117.9°	90.0°
C2	C1	N6	121.5°	90.0°
C1	C2	H2	120.0°	90.0°
C1	C19	C18	120.7°	90.0°
C19	C1	N6	120.6°	90.0°
C19	C18	C16	125.9°	90.0°
C19	C18	H18	117.0°	90.0°
C18	C16	O17	121.2°	90.0°
C16	C18	H18	117.0°	90.0°
C3	C4	N5	121.9°	90.0°
C3	C4	N9	129.9°	90.0°
C1	N6	N5	118.0°	90.0°
N5	C4	N9	108.1°	90.0°
C4	N5	N6	122.8°	90.0°
C4	N5	C7	109.4°	90.0°
C4	N9	C8	106.4°	90.0°
N6	N5	C7	127.8°	90.0°
N5	C7	C8	106.0°	90.0°
N5	C7	H7	127.0°	90.0°
N9	C8	C7	110.1°	90.0°
N9	C8	C30	126.3°	90.0°
C7	C8	C30	123.5°	90.0°
C8	C7	H7	127.0°	90.0°
C8	C30	H30C	109.5°	90.0°
C8	C30	H30B	109.5°	90.0°
C8	C30	H30A	109.5°	90.0°
H21B	C21	H21A	109.5°	90.0°
H22B	C22	H22A	109.5°	90.0°
H24B	C24	H24A	109.5°	90.0°
H27A	C27	H27B	109.5°	90.0°
H28B	C28	H28A	109.5°	90.0°
H29B	C29	H29A	109.4°	90.0°
H29B	C29	H29C	109.5°	90.0°
H29A	C29	H29C	109.5°	90.0°
H30C	C30	H30B	109.4°	90.0°
H30C	C30	H30A	109.5°	90.0°
H30B	C30	H30A	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C27	C28	C25	H28B	109.6°	90.0°
C27	C28	C25	H28A	109.5°	90.0°
C28	C27	C25	H27A	109.5°	90.0°
C28	C27	C25	H27B	109.5°	90.0°
C27	C28	C25	C24	108.4°	90.0°
C27	C28	C25	N26	105.5°	90.0°
C28	C27	H27A	H27B	144.8°	90.0°
C27	C28	H28B	H28A	144.6°	90.0°
C28	C25	C24	N26	147.0°	90.0°
C28	C25	C24	N23	100.1°	90.0°
C28	C25	N26	C21	126.7°	90.0°
C28	C25	C24	H24B	20.4°	90.0°
C28	C25	C24	H24A	139.3°	90.0°
C28	C25	N26	H26B	112.7°	90.0°
C25	C28	H28B	H28A	144.6°	90.0°
C27	C25	C24	N26	143.7°	90.0°
C27	C25	C24	N23	169.4°	90.0°
C27	C25	N26	C21	165.4°	90.0°
C27	C25	C24	H24B	48.8°	90.0°
C27	C25	C24	H24A	70.0°	90.0°
C27	C25	N26	H26B	44.8°	90.0°
C25	C27	H27A	H27B	144.7°	90.0°
C25	C24	N23	H24B	120.6°	90.0°
C25	C24	N23	H24A	120.6°	90.0°
C25	C24	N23	C10	178.9°	90.0°
C25	C24	N23	C22	12.4°	90.0°
C24	C25	N26	C21	20.7°	90.0°
C25	C24	H24B	H24A	118.2°	90.0°
C24	C25	N26	H26B	100.0°	90.0°
C24	C25	C27	H27A	1.2°	90.0°
C24	C25	C27	H27B	142.3°	90.0°
C24	C25	C28	H28B	142.1°	90.0°
C24	C25	C28	H28A	1.2°	90.0°
N26	C25	C24	N23	46.9°	90.0°
C25	N26	C21	H26B	120.6°	90.0°
C25	N26	C21	C22	35.4°	90.0°
C25	N26	C21	H21B	84.4°	90.0°
C25	N26	C21	H21A	155.3°	90.0°
N26	C25	C24	H24B	167.5°	90.0°
N26	C25	C24	H24A	73.7°	90.0°
N26	C25	C27	H27A	142.2°	90.0°
N26	C25	C27	H27B	1.1°	90.0°
N26	C25	C28	H28B	4.1°	90.0°
N26	C25	C28	H28A	145.0°	90.0°
C24	N23	C10	C11	12.1°	90.0°
C24	N23	C10	C22	167.6°	90.0°
C24	N23	C10	C15	167.2°	90.0°
C24	N23	C22	C21	43.5°	90.0°
C24	N23	C22	H22B	76.3°	90.0°
C24	N23	C22	H22A	163.3°	90.0°
N23	C24	H24B	H24A	118.2°	90.0°
C12	C11	C10	H11	180.0°	90.0°
C12	C11	C10	N23	177.8°	90.0°
C11	C12	C13	H12	180.0°	90.0°
C12	C11	C10	C15	1.5°	90.0°
C11	C12	C13	N20	178.2°	90.0°
C11	C12	C13	N14	0.1°	90.0°
C11	C10	N23	C15	179.3°	90.0°
C11	C10	N23	C22	179.7°	90.0°
C10	C11	C12	C13	1.7°	90.0°
C11	C10	C15	N14	7.0°	90.0°
C10	C11	C12	H12	178.2°	90.0°
C11	C10	C15	H15	173.0°	90.0°
C10	N23	C22	C21	124.6°	90.0°
N23	C10	C15	N14	172.4°	90.0°
N23	C10	C11	H11	2.2°	90.0°
N23	C10	C15	H15	7.6°	90.0°
C10	N23	C22	H22B	115.7°	90.0°
C10	N23	C22	H22A	4.8°	90.0°
C10	N23	C24	H24B	58.3°	90.0°
C10	N23	C24	H24A	60.5°	90.0°
C22	N23	C10	C15	0.4°	90.0°
N23	C22	C21	N26	69.3°	90.0°
N23	C22	C21	H22B	119.8°	90.0°
N23	C22	C21	H22A	119.8°	90.0°
N23	C22	C21	H21B	50.6°	90.0°
N23	C22	C21	H21A	170.9°	90.0°
N23	C22	H22B	H22A	120.6°	90.0°
C22	N23	C24	H24B	133.0°	90.0°
C22	N23	C24	H24A	108.1°	90.0°
C12	C13	N20	N14	178.0°	90.0°
C12	C13	N14	C15	4.9°	90.0°
C12	C13	N20	C19	164.9°	90.0°
C12	C13	N14	C16	171.5°	90.0°
C13	C12	C11	H11	178.3°	90.0°
C12	C13	N20	H20	15.1°	90.0°
C10	C15	N14	C13	8.7°	90.0°
C10	C15	N14	H15	180.0°	90.0°
C10	C15	N14	C16	167.7°	90.0°
C15	C10	C11	H11	178.4°	90.0°
N26	C21	C22	H21B	119.9°	90.0°
N26	C21	C22	H21A	119.9°	90.0°
N26	C21	H21B	H21A	120.3°	90.0°
N26	C21	C22	H22B	50.5°	90.0°
N26	C21	C22	H22A	171.0°	90.0°
C22	C21	H21B	H21A	120.4°	90.0°
C21	C22	H22B	H22A	120.7°	90.0°
C22	C21	N26	H26B	156.1°	90.0°
N20	C13	N14	C15	177.1°	90.0°
C13	N20	C19	H20	180.0°	90.0°
N20	C13	N14	C16	6.5°	90.0°
C13	N20	C19	C1	174.5°	90.0°
C13	N20	C19	C18	10.6°	90.0°
N20	C13	C12	H12	1.9°	90.0°
C13	N14	C15	C16	176.4°	90.0°
N14	C13	N20	C19	13.1°	90.0°
C13	N14	C16	C18	1.7°	90.0°
C13	N14	C16	O17	175.3°	90.0°
N14	C13	C12	H12	179.9°	90.0°
C13	N14	C15	H15	171.3°	90.0°
N14	C13	N20	H20	166.9°	90.0°
C15	N14	C16	C18	174.5°	90.0°
C15	N14	C16	O17	8.5°	90.0°
N20	C19	C1	C2	9.1°	90.0°
N20	C19	C1	C18	174.7°	90.0°
N20	C19	C18	C16	2.4°	90.0°
N20	C19	C1	N6	170.6°	90.0°
N20	C19	C18	H18	177.6°	90.0°
N14	C16	C18	C19	3.7°	90.0°
N14	C16	C18	O17	177.2°	90.0°
C16	N14	C15	H15	12.3°	90.0°
N14	C16	C18	H18	176.3°	90.0°
C29	C3	C2	C4	178.2°	90.0°
C29	C3	C2	C1	178.3°	90.0°
C29	C3	C4	N5	176.9°	90.0°
C29	C3	C4	N9	2.4°	90.0°
C29	C3	C2	H2	1.7°	90.0°
C3	C29	H29B	H29A	120.0°	90.0°
C3	C29	H29B	H29C	120.0°	90.0°
C3	C29	H29A	H29C	120.0°	90.0°
C3	C2	C1	H2	180.0°	90.0°
C3	C2	C1	C19	178.6°	90.0°
C3	C2	C1	N6	1.7°	90.0°
C2	C3	C4	N5	1.3°	90.0°
C2	C3	C4	N9	175.8°	90.0°
C2	C3	C29	H29B	91.0°	90.0°
C2	C3	C29	H29A	149.0°	90.0°
C2	C3	C29	H29C	29.0°	90.0°
C2	C1	C19	N6	179.7°	90.0°
C2	C1	C19	C18	176.2°	90.0°
C1	C2	C3	C4	0.1°	90.0°
C2	C1	N6	N5	1.6°	90.0°
C1	C19	C18	C16	177.5°	90.0°
C19	C1	N6	N5	178.7°	90.0°
C19	C1	C2	H2	1.4°	90.0°
C1	C19	C18	H18	2.5°	90.0°
C1	C19	N20	H20	5.5°	90.0°
C19	C18	C16	H18	180.0°	90.0°
C19	C18	C16	O17	173.5°	90.0°
C18	C19	C1	N6	4.1°	90.0°
C18	C19	N20	H20	169.4°	90.0°
O17	C16	C18	H18	6.5°	90.0°
C3	C4	N5	N9	175.5°	90.0°
C3	C4	N5	N6	1.4°	90.0°
C3	C4	N5	C7	176.0°	90.0°
C3	C4	N9	C8	176.6°	90.0°
C4	C3	C2	H2	179.9°	90.0°
C4	C3	C29	H29B	90.9°	90.0°
C4	C3	C29	H29A	29.1°	90.0°
C4	C3	C29	H29C	149.1°	90.0°
C1	N6	N5	C4	0.1°	90.0°
C1	N6	N5	C7	177.1°	90.0°
N6	C1	C2	H2	178.4°	90.0°
C4	N5	N6	C7	176.9°	90.0°
N5	C4	N9	C8	1.6°	90.0°
C4	N5	C7	C8	0.8°	90.0°
C4	N5	C7	H7	179.2°	90.0°
N9	C4	N5	N6	176.9°	90.0°
N9	C4	N5	C7	0.5°	90.0°
C4	N9	C8	C7	2.1°	90.0°
C4	N9	C8	C30	179.2°	90.0°
N6	N5	C7	C8	178.0°	90.0°
N6	N5	C7	H7	2.0°	90.0°
N5	C7	C8	N9	1.8°	90.0°
N5	C7	C8	H7	180.0°	90.0°
N5	C7	C8	C30	179.0°	90.0°
N9	C8	C7	C30	177.2°	90.0°
N9	C8	C7	H7	178.2°	90.0°
N9	C8	C30	H30C	0.0°	90.0°
N9	C8	C30	H30B	120.0°	90.0°
N9	C8	C30	H30A	120.0°	90.0°
C7	C8	C30	H30C	176.7°	90.0°
C7	C8	C30	H30B	63.3°	90.0°
C7	C8	C30	H30A	56.7°	90.0°
C30	C8	C7	H7	1.0°	90.0°
C8	C30	H30C	H30B	120.0°	90.0°
C8	C30	H30C	H30A	120.0°	90.0°
C8	C30	H30B	H30A	120.0°	90.0°
H11	C11	C12	H12	1.7°	90.0°
H21B	C21	C22	H22B	170.4°	90.0°
H21B	C21	C22	H22A	69.1°	90.0°
H21B	C21	N26	H26B	36.2°	90.0°
H21A	C21	C22	H22B	69.4°	90.0°
H21A	C21	C22	H22A	51.1°	90.0°
H21A	C21	N26	H26B	84.0°	90.0°
H27A	C27	C28	H28B	141.0°	90.0°
H27A	C27	C28	H28A	0.1°	90.0°
H27B	C27	C28	H28B	0.1°	90.0°
H27B	C27	C28	H28A	141.0°	90.0°
H29B	C29	H29A	H29C	120.0°	90.0°
H30C	C30	H30B	H30A	120.0°	90.0°

Release date:	2024-03-06
Definition date:	2023-11-21
Last modified:	2024-03-01
Release status:	REL
Processing site:	PDBE
Derived from:	8R62