U74

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C10	doub	1.37Å	1.38Å	Aromatic
C11	N	sing	1.32Å	1.34Å	Aromatic
C10	C9	sing	1.40Å	1.39Å	Aromatic
N	C7	doub	1.32Å	1.35Å	Aromatic
C9	N1	sing	1.37Å	1.36Å	Aromatic
C9	C8	doub	1.41Å	1.41Å	Aromatic
N1	N2	sing	1.40Å	1.36Å	Aromatic
C7	C8	sing	1.41Å	1.41Å	Aromatic
C7	C4	sing	1.48Å	1.49Å
C8	C12	sing	1.41Å	1.43Å	Aromatic
N2	C12	doub	1.30Å	1.30Å	Aromatic
C4	C3	doub	1.40Å	1.39Å	Aromatic
C4	C5	sing	1.40Å	1.39Å	Aromatic
C12	C13	sing	1.51Å	1.50Å
C3	C2	sing	1.38Å	1.39Å	Aromatic
C5	C6	doub	1.38Å	1.38Å	Aromatic
C2	C1	doub	1.39Å	1.39Å	Aromatic
C13	C15	sing	1.53Å	1.51Å
C13	C14	sing	1.53Å	1.51Å
C6	C1	sing	1.39Å	1.38Å	Aromatic
C1	O	sing	1.36Å	1.37Å
C15	C14	sing	1.53Å	1.48Å
O	C	sing	1.43Å	1.43Å
C2	H1	sing	1.08Å	1.08Å
C3	H2	sing	1.08Å	1.08Å
C10	H3	sing	1.08Å	1.08Å
C11	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.09Å	1.10Å
C14	H6	sing	1.09Å	1.10Å
C14	H7	sing	1.09Å	1.10Å
C15	H8	sing	1.09Å	1.10Å
C15	H9	sing	1.09Å	1.10Å
C	H10	sing	1.09Å	1.10Å
C	H11	sing	1.09Å	1.10Å
C	H12	sing	1.09Å	1.10Å
C6	H13	sing	1.08Å	1.08Å
C5	H14	sing	1.08Å	1.08Å
N1	H15	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C11	N	124.3°	121.8°
C11	C10	C9	117.1°	119.1°
C11	C10	H3	121.4°	120.5°
C10	C11	H4	117.8°	119.1°
C11	N	C7	118.5°	122.2°
N	C11	H4	117.9°	119.2°
C10	C9	N1	133.1°	134.9°
C10	C9	C8	120.4°	118.4°
C9	C10	H3	121.4°	120.4°
N	C7	C8	121.9°	119.9°
N	C7	C4	115.5°	120.1°
N1	C9	C8	106.5°	106.6°
C9	N1	N2	111.8°	108.1°
C9	N1	H15	124.1°	125.9°
C9	C8	C7	117.7°	118.6°
C9	C8	C12	103.4°	106.9°
N1	N2	C12	106.1°	109.7°
N2	N1	H15	124.1°	126.0°
C8	C7	C4	122.6°	120.1°
C7	C8	C12	138.9°	134.6°
C7	C4	C3	121.6°	120.1°
C7	C4	C5	120.4°	120.0°
C8	C12	N2	112.1°	108.6°
C8	C12	C13	126.9°	125.7°
N2	C12	C13	120.9°	125.7°
C3	C4	C5	117.9°	119.9°
C4	C3	C2	121.3°	119.9°
C4	C3	H2	119.4°	120.0°
C4	C5	C6	121.3°	119.9°
C4	C5	H14	119.4°	120.1°
C12	C13	C15	120.3°	117.4°
C12	C13	C14	119.1°	117.5°
C12	C13	H5	115.6°	115.6°
C3	C2	C1	119.5°	120.0°
C3	C2	H1	120.2°	120.0°
C2	C3	H2	119.3°	120.0°
C5	C6	C1	119.8°	120.1°
C5	C6	H13	120.1°	119.9°
C6	C5	H14	119.3°	120.0°
C2	C1	C6	120.1°	120.2°
C2	C1	O	126.0°	119.9°
C1	C2	H1	120.2°	119.9°
C15	C13	C14	58.8°	60.0°
C13	C15	C14	60.5°	60.0°
C15	C13	H5	115.5°	117.5°
C13	C15	H8	119.9°	117.5°
C13	C15	H9	119.9°	117.5°
C13	C14	C15	60.7°	60.0°
C14	C13	H5	115.6°	117.6°
C13	C14	H6	119.9°	117.5°
C13	C14	H7	119.9°	117.5°
C6	C1	O	113.8°	119.9°
C1	C6	H13	120.1°	120.0°
C1	O	C	118.2°	117.0°
C15	C14	H6	119.9°	117.5°
C15	C14	H7	119.9°	117.6°
C14	C15	H8	119.9°	117.5°
C14	C15	H9	119.9°	117.5°
O	C	H10	109.5°	109.5°
O	C	H11	109.5°	109.4°
O	C	H12	109.5°	109.5°
H6	C14	H7	109.5°	115.5°
H8	C15	H9	109.4°	115.5°
H10	C	H11	109.5°	109.4°
H10	C	H12	109.4°	109.5°
H11	C	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C11	N	H4	180.0°	179.7°
C11	C10	C9	H3	180.0°	180.0°
C10	C11	N	C7	0.1°	0.6°
C11	C10	C9	N1	179.9°	180.0°
C11	C10	C9	C8	0.3°	0.0°
N	C11	C10	C9	0.4°	0.3°
C11	N	C7	C8	0.5°	0.6°
C11	N	C7	C4	179.6°	179.7°
N	C11	C10	H3	179.6°	179.7°
C10	C9	N1	C8	179.8°	180.0°
C10	C9	N1	N2	180.0°	180.0°
C10	C9	C8	C7	0.2°	0.0°
C10	C9	C8	C12	179.9°	180.0°
C9	C10	C11	H4	179.6°	180.0°
C10	C9	N1	H15	0.1°	0.1°
N	C7	C8	C9	0.6°	0.3°
N	C7	C8	C4	179.0°	179.7°
N	C7	C8	C12	179.9°	179.7°
N	C7	C4	C3	107.3°	132.1°
N	C7	C4	C5	73.2°	47.7°
C7	N	C11	H4	180.0°	179.7°
C9	N1	N2	H15	180.0°	179.9°
N1	C9	C8	C7	179.6°	180.0°
N1	C9	C8	C12	0.0°	0.0°
C9	N1	N2	C12	0.2°	0.0°
N1	C9	C10	H3	0.0°	0.0°
C8	C9	N1	N2	0.1°	0.0°
C9	C8	C7	C12	179.5°	180.0°
C9	C8	C7	C4	179.6°	180.0°
C9	C8	C12	N2	0.1°	0.0°
C9	C8	C12	C13	180.0°	180.0°
C8	C9	C10	H3	179.8°	180.0°
C8	C9	N1	H15	179.9°	179.9°
N1	N2	C12	C8	0.2°	0.0°
N1	N2	C12	C13	179.9°	179.9°
C7	C8	C12	N2	179.6°	180.0°
C8	C7	C4	C3	73.7°	47.6°
C8	C7	C4	C5	105.9°	132.6°
C7	C8	C12	C13	0.5°	0.1°
C4	C7	C8	C12	0.9°	0.0°
C7	C4	C3	C5	179.6°	179.8°
C7	C4	C3	C2	179.7°	180.0°
C7	C4	C5	C6	179.8°	180.0°
C7	C4	C3	H2	0.3°	0.1°
C7	C4	C5	H14	0.2°	0.0°
C8	C12	N2	C13	179.9°	180.0°
C8	C12	C13	C15	159.8°	113.5°
C8	C12	C13	C14	131.4°	177.9°
C8	C12	C13	H5	13.3°	32.2°
N2	C12	C13	C15	20.4°	66.5°
N2	C12	C13	C14	48.5°	2.0°
N2	C12	C13	H5	166.8°	147.8°
C12	N2	N1	H15	179.8°	179.9°
C4	C3	C2	H2	180.0°	180.0°
C3	C4	C5	C6	0.2°	0.2°
C4	C3	C2	C1	0.1°	0.0°
C4	C3	C2	H1	179.9°	180.0°
C3	C4	C5	H14	179.8°	179.8°
C5	C4	C3	C2	0.1°	0.3°
C4	C5	C6	H14	180.0°	180.0°
C4	C5	C6	C1	0.3°	0.1°
C5	C4	C3	H2	179.9°	179.7°
C4	C5	C6	H13	179.7°	180.0°
C12	C13	C15	C14	107.8°	107.5°
C12	C13	C15	H5	146.5°	145.0°
C12	C13	C14	H5	144.7°	145.1°
C12	C13	C14	H6	140.6°	145.0°
C12	C13	C14	H7	0.1°	0.1°
C12	C13	C15	H8	1.8°	0.1°
C12	C13	C15	H9	142.6°	145.0°
C3	C2	C1	H1	180.0°	180.0°
C3	C2	C1	C6	0.2°	0.3°
C3	C2	C1	O	179.7°	180.0°
C5	C6	C1	C2	0.3°	0.3°
C5	C6	C1	H13	180.0°	179.9°
C5	C6	C1	O	179.9°	180.0°
C2	C1	C6	O	179.6°	179.7°
C2	C1	O	C	29.6°	180.0°
C1	C2	C3	H2	179.9°	180.0°
C2	C1	C6	H13	179.7°	179.8°
C15	C13	C14	H5	105.6°	107.5°
C13	C15	C14	H8	109.6°	107.5°
C13	C15	C14	H9	109.6°	107.5°
C15	C13	C14	H6	109.7°	107.5°
C15	C13	C14	H7	109.7°	107.5°
C13	C15	H8	H9	144.5°	145.6°
C13	C14	H6	H7	144.3°	145.6°
C6	C1	O	C	150.8°	0.2°
C6	C1	C2	H1	179.8°	179.7°
C1	C6	C5	H14	179.7°	180.0°
O	C1	C2	H1	0.3°	0.0°
C1	O	C	H10	180.0°	59.9°
C1	O	C	H11	60.0°	60.0°
C1	O	C	H12	60.0°	180.0°
O	C1	C6	H13	0.1°	0.1°
C15	C14	H6	H7	144.4°	145.7°
C14	C15	H8	H9	144.5°	145.7°
O	C	H10	H11	120.0°	119.9°
O	C	H10	H12	120.0°	120.1°
O	C	H11	H12	120.0°	120.1°
H1	C2	C3	H2	0.1°	0.0°
H3	C10	C11	H4	0.4°	0.0°
H5	C13	C14	H6	4.1°	0.1°
H5	C13	C14	H7	144.8°	145.0°
H5	C13	C15	H8	144.7°	144.9°
H5	C13	C15	H9	3.9°	0.0°
H6	C14	C15	H8	140.8°	145.0°
H6	C14	C15	H9	0.0°	0.0°
H7	C14	C15	H8	0.0°	0.0°
H7	C14	C15	H9	140.8°	145.0°
H10	C	H11	H12	120.0°	120.0°
H13	C6	C5	H14	0.3°	0.0°

Release date:	2024-03-20
Definition date:	2023-08-30
Last modified:	2024-03-15
Release status:	REL
Processing site:	PDBE
Derived from:	8QDY