YHS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	doub	1.35Å	1.39Å	Aromatic
C	C14	sing	1.41Å	1.34Å	Aromatic
C1	C2	sing	1.41Å	1.39Å	Aromatic
N	C14	doub	1.31Å	1.33Å	Aromatic
N	O	sing	1.21Å	1.33Å	Aromatic
C14	C4	sing	1.48Å	1.34Å	Aromatic
N4	C15	doub	1.32Å	1.33Å	Aromatic
N4	N3	sing	1.28Å	1.33Å	Aromatic
C2	C15	sing	1.48Å	1.34Å
C2	C3	doub	1.38Å	1.39Å	Aromatic
O	C5	sing	1.34Å	1.34Å	Aromatic
C15	N1	sing	1.36Å	1.33Å	Aromatic
C4	C3	sing	1.40Å	1.35Å	Aromatic
C4	C5	doub	1.40Å	1.35Å	Aromatic
N3	N2	doub	1.29Å	1.34Å	Aromatic
C5	C6	sing	1.47Å	1.34Å
N1	N2	sing	1.41Å	1.34Å	Aromatic
C6	C7	doub	1.40Å	1.40Å	Aromatic
C6	C11	sing	1.40Å	1.40Å	Aromatic
C7	C8	sing	1.38Å	1.39Å	Aromatic
C11	C10	doub	1.38Å	1.40Å	Aromatic
C8	C13	sing	1.51Å	1.40Å
C8	C9	doub	1.38Å	1.39Å	Aromatic
C10	C9	sing	1.38Å	1.39Å	Aromatic
C10	C12	sing	1.51Å	1.39Å
C1	H1	sing	1.08Å	1.08Å
C3	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
N1	H4	sing	0.97Å	1.00Å
C13	H5	sing	1.09Å	1.10Å
C13	H6	sing	1.09Å	1.10Å
C13	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.08Å	1.08Å
C12	H9	sing	1.09Å	1.10Å
C12	H10	sing	1.09Å	1.10Å
C12	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.08Å	1.08Å
C	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C	C14	120.6°	119.8°
C	C1	C2	118.3°	121.8°
C	C1	H1	120.9°	119.1°
C1	C	H13	119.7°	120.2°
C	C14	N	129.4°	136.3°
C	C14	C4	121.9°	118.6°
C14	C	H13	119.7°	120.1°
C1	C2	C15	120.3°	119.4°
C1	C2	C3	118.5°	121.2°
C2	C1	H1	120.9°	119.1°
C14	N	O	108.7°	112.6°
N	C14	C4	108.7°	105.1°
N	O	C5	107.3°	113.5°
C14	C4	C3	119.3°	119.4°
C14	C4	C5	106.3°	103.0°
C15	N4	N3	107.3°	110.4°
N4	C15	C2	125.7°	126.5°
N4	C15	N1	109.1°	107.0°
N4	N3	N2	108.6°	110.4°
C15	C2	C3	121.2°	119.4°
C2	C15	N1	125.2°	126.5°
C2	C3	C4	121.3°	119.2°
C2	C3	H2	119.3°	120.4°
O	C5	C4	109.1°	105.8°
O	C5	C6	120.2°	127.1°
C15	N1	N2	107.4°	105.2°
C15	N1	H4	126.3°	127.4°
C3	C4	C5	134.4°	137.6°
C4	C3	H2	119.3°	120.4°
C4	C5	C6	130.7°	127.1°
N3	N2	N1	107.6°	106.9°
C5	C6	C7	117.4°	120.2°
C5	C6	C11	123.9°	120.2°
N2	N1	H4	126.3°	127.4°
C7	C6	C11	118.6°	119.7°
C6	C7	C8	121.0°	119.9°
C6	C7	H3	119.5°	120.1°
C6	C11	C10	120.5°	119.8°
C6	C11	H12	119.8°	120.1°
C7	C8	C13	120.0°	119.9°
C7	C8	C9	120.0°	120.2°
C8	C7	H3	119.5°	120.1°
C11	C10	C9	120.2°	120.2°
C11	C10	C12	120.6°	119.9°
C10	C11	H12	119.7°	120.1°
C13	C8	C9	120.0°	119.9°
C8	C13	H5	109.5°	109.4°
C8	C13	H6	109.5°	109.5°
C8	C13	H7	109.5°	109.5°
C8	C9	C10	119.6°	120.3°
C8	C9	H8	120.2°	119.9°
C9	C10	C12	119.1°	119.9°
C10	C9	H8	120.2°	119.8°
C10	C12	H9	109.5°	109.5°
C10	C12	H10	109.5°	109.5°
C10	C12	H11	109.5°	109.5°
H5	C13	H6	109.5°	109.5°
H5	C13	H7	109.5°	109.5°
H6	C13	H7	109.4°	109.5°
H9	C12	H10	109.5°	109.5°
H9	C12	H11	109.5°	109.4°
H10	C12	H11	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C	C14	H13	180.0°	179.4°
C	C1	C2	H1	180.0°	179.6°
C1	C	C14	N	179.6°	179.8°
C1	C	C14	C4	0.2°	0.6°
C	C1	C2	C15	179.9°	179.7°
C	C1	C2	C3	0.8°	0.3°
C14	C	C1	C2	0.3°	0.6°
C	C14	N	C4	179.4°	179.7°
C	C14	N	O	179.8°	179.7°
C	C14	C4	C3	0.1°	0.3°
C	C14	C4	C5	179.6°	179.8°
C14	C	C1	H1	179.7°	179.8°
C1	C2	C15	N4	0.5°	180.0°
C1	C2	C15	C3	179.1°	180.0°
C1	C2	C15	N1	179.0°	0.0°
C1	C2	C3	C4	1.0°	0.0°
C1	C2	C3	H2	179.0°	180.0°
C2	C1	C	H13	179.7°	180.0°
C14	N	O	C5	0.4°	0.1°
N	C14	C4	C3	179.6°	180.0°
N	C14	C4	C5	0.1°	0.0°
N	C14	C	H13	0.4°	0.4°
O	N	C14	C4	0.3°	0.1°
N	O	C5	C4	0.3°	0.1°
N	O	C5	C6	179.6°	180.0°
C14	C4	C3	C2	0.5°	0.0°
C14	C4	C5	O	0.1°	0.0°
C14	C4	C3	C5	179.6°	179.9°
C14	C4	C5	C6	179.3°	180.0°
C14	C4	C3	H2	179.5°	180.0°
C4	C14	C	H13	179.8°	180.0°
N4	C15	C2	N1	179.5°	180.0°
N4	C15	C2	C3	179.5°	0.0°
C15	N4	N3	N2	0.8°	0.4°
N4	C15	N1	N2	0.3°	0.0°
N4	C15	N1	H4	179.7°	179.7°
N3	N4	C15	C2	179.8°	179.8°
N3	N4	C15	N1	0.6°	0.2°
N4	N3	N2	N1	0.6°	0.4°
C15	C2	C3	C4	179.9°	180.0°
C2	C15	N1	N2	179.8°	180.0°
C15	C2	C1	H1	0.1°	0.1°
C15	C2	C3	H2	0.1°	0.0°
C2	C15	N1	H4	0.2°	0.3°
C3	C2	C15	N1	0.1°	180.0°
C2	C3	C4	H2	180.0°	180.0°
C2	C3	C4	C5	179.8°	179.9°
C3	C2	C1	H1	179.2°	179.9°
O	C5	C4	C3	179.7°	179.9°
O	C5	C4	C6	179.2°	180.0°
O	C5	C6	C7	28.3°	46.4°
O	C5	C6	C11	148.8°	133.4°
C15	N1	N2	N3	0.2°	0.2°
C15	N1	N2	H4	180.0°	179.7°
C3	C4	C5	C6	1.1°	0.1°
C4	C5	C6	C7	152.6°	133.6°
C4	C5	C6	C11	30.3°	46.6°
C5	C4	C3	H2	0.1°	0.1°
N3	N2	N1	H4	179.8°	180.0°
C5	C6	C7	C11	177.3°	179.8°
C5	C6	C7	C8	178.6°	180.0°
C5	C6	C11	C10	178.7°	179.7°
C5	C6	C7	H3	1.4°	0.0°
C5	C6	C11	H12	1.3°	0.0°
C6	C7	C8	H3	180.0°	180.0°
C7	C6	C11	C10	1.6°	0.5°
C6	C7	C8	C13	179.5°	180.0°
C6	C7	C8	C9	0.6°	0.1°
C7	C6	C11	H12	178.4°	179.8°
C11	C6	C7	C8	1.4°	0.2°
C6	C11	C10	H12	180.0°	179.7°
C6	C11	C10	C9	1.1°	0.5°
C6	C11	C10	C12	179.4°	179.8°
C11	C6	C7	H3	178.6°	179.8°
C7	C8	C13	C9	179.9°	179.9°
C7	C8	C9	C10	0.0°	0.0°
C7	C8	C13	H5	90.0°	90.1°
C7	C8	C13	H6	150.0°	149.9°
C7	C8	C13	H7	30.1°	29.9°
C7	C8	C9	H8	180.0°	180.0°
C11	C10	C9	C8	0.3°	0.3°
C11	C10	C9	C12	179.5°	179.7°
C11	C10	C9	H8	179.7°	179.7°
C11	C10	C12	H9	90.3°	89.7°
C11	C10	C12	H10	149.7°	30.3°
C11	C10	C12	H11	29.8°	150.3°
C13	C8	C9	C10	179.9°	180.0°
C13	C8	C7	H3	0.5°	0.0°
C8	C13	H5	H6	120.0°	120.0°
C8	C13	H5	H7	120.0°	120.0°
C8	C13	H6	H7	120.0°	120.0°
C13	C8	C9	H8	0.1°	0.0°
C8	C9	C10	H8	180.0°	180.0°
C8	C9	C10	C12	179.8°	179.9°
C9	C8	C7	H3	179.4°	179.9°
C9	C8	C13	H5	89.9°	90.0°
C9	C8	C13	H6	30.1°	30.0°
C9	C8	C13	H7	150.0°	150.0°
C9	C10	C12	H9	90.2°	89.9°
C9	C10	C12	H10	29.8°	150.0°
C9	C10	C12	H11	149.8°	30.1°
C9	C10	C11	H12	178.9°	179.8°
C12	C10	C9	H8	0.2°	0.0°
C10	C12	H9	H10	120.0°	120.1°
C10	C12	H9	H11	120.0°	120.0°
C10	C12	H10	H11	120.0°	120.0°
C12	C10	C11	H12	0.6°	0.1°
H1	C1	C	H13	0.3°	0.4°
H5	C13	H6	H7	120.0°	120.1°
H9	C12	H10	H11	120.0°	119.9°

Release date:	2024-12-11
Definition date:	2023-12-04
Last modified:	2024-12-06
Release status:	REL
Processing site:	RCSB
Derived from:	8V6Z