QFU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	C14	doub	1.36Å	1.37Å	Aromatic
C13	C12	sing	1.40Å	1.42Å	Aromatic
C11	C12	doub	1.40Å	1.41Å	Aromatic
C11	N2	sing	1.31Å	1.32Å	Aromatic
C14	C15	sing	1.39Å	1.39Å	Aromatic
C12	C17	sing	1.42Å	1.42Å	Aromatic
N2	C10	doub	1.33Å	1.34Å	Aromatic
C15	C16	doub	1.36Å	1.37Å	Aromatic
C17	C16	sing	1.40Å	1.42Å	Aromatic
C17	C9	doub	1.41Å	1.43Å	Aromatic
C10	C9	sing	1.38Å	1.39Å	Aromatic
C9	N1	sing	1.40Å	1.41Å
N1	C	sing	1.35Å	1.35Å
C	C1	sing	1.51Å	1.52Å
C	O	doub	1.21Å	1.23Å
C1	C2	sing	1.51Å	1.51Å
C2	C8	doub	1.38Å	1.39Å	Aromatic
C2	C3	sing	1.38Å	1.39Å	Aromatic
C8	C6	sing	1.40Å	1.39Å	Aromatic
C3	C4	doub	1.38Å	1.39Å	Aromatic
C6	C7	sing	1.43Å	1.44Å
C6	C5	doub	1.40Å	1.39Å	Aromatic
C7	N	trip	1.14Å	1.14Å
C4	C5	sing	1.38Å	1.38Å	Aromatic
N1	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.08Å	1.08Å
C10	H5	sing	1.08Å	1.08Å
C13	H6	sing	1.08Å	1.08Å
C15	H7	sing	1.08Å	1.08Å
C3	H8	sing	1.08Å	1.08Å
C1	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å
C16	H11	sing	1.08Å	1.08Å
C14	H12	sing	1.08Å	1.08Å
C11	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C14	C13	C12	120.5°	119.5°
C13	C14	C15	120.6°	121.1°
C14	C13	H6	119.7°	120.2°
C13	C14	H12	119.7°	119.5°
C13	C12	C11	123.3°	122.0°
C13	C12	C17	119.1°	119.3°
C12	C13	H6	119.7°	120.2°
C12	C11	N2	124.4°	120.2°
C11	C12	C17	117.6°	118.7°
C12	C11	H13	117.8°	119.9°
C11	N2	C10	117.6°	122.9°
N2	C11	H13	117.8°	119.9°
C14	C15	C16	120.7°	121.0°
C14	C15	H7	119.7°	119.5°
C15	C14	H12	119.7°	119.4°
C12	C17	C16	118.2°	119.6°
C12	C17	C9	118.0°	118.2°
N2	C10	C9	124.9°	121.6°
N2	C10	H5	117.6°	119.2°
C15	C16	C17	120.9°	119.5°
C16	C15	H7	119.7°	119.5°
C15	C16	H11	119.5°	120.3°
C16	C17	C9	123.8°	122.2°
C17	C16	H11	119.6°	120.2°
C17	C9	C10	117.5°	118.4°
C17	C9	N1	118.5°	120.8°
C10	C9	N1	124.0°	120.8°
C9	C10	H5	117.6°	119.2°
C9	N1	C	128.2°	120.0°
C9	N1	H1	115.9°	120.0°
N1	C	C1	114.0°	120.0°
N1	C	O	123.9°	120.0°
C	N1	H1	115.9°	120.0°
C1	C	O	122.1°	120.0°
C	C1	C2	113.4°	109.5°
C	C1	H9	108.5°	109.5°
C	C1	H10	108.5°	109.5°
C1	C2	C8	120.1°	119.9°
C1	C2	C3	121.0°	120.0°
C2	C1	H9	108.5°	109.4°
C2	C1	H10	108.5°	109.5°
C8	C2	C3	118.9°	120.1°
C2	C8	C6	120.4°	119.8°
C2	C8	H4	119.8°	120.1°
C2	C3	C4	120.9°	120.3°
C2	C3	H8	119.6°	119.8°
C8	C6	C7	119.6°	120.1°
C8	C6	C5	120.0°	119.7°
C6	C8	H4	119.8°	120.1°
C3	C4	C5	120.1°	120.2°
C3	C4	H2	119.9°	119.9°
C4	C3	H8	119.6°	119.9°
C7	C6	C5	120.1°	120.1°
C6	C7	N	178.4°	179.9°
C6	C5	C4	119.6°	119.8°
C6	C5	H3	120.2°	120.0°
C5	C4	H2	120.0°	119.9°
C4	C5	H3	120.2°	120.1°
H9	C1	H10	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C14	C13	C12	H6	180.0°	180.0°
C14	C13	C12	C11	179.9°	179.5°
C13	C14	C15	H12	180.0°	179.9°
C14	C13	C12	C17	0.4°	0.1°
C13	C14	C15	C16	0.3°	0.0°
C13	C14	C15	H7	179.7°	180.0°
C13	C12	C11	C17	179.8°	179.6°
C13	C12	C11	N2	180.0°	179.7°
C12	C13	C14	C15	0.2°	0.0°
C13	C12	C17	C16	0.7°	0.0°
C13	C12	C17	C9	179.1°	179.9°
C12	C13	C14	H12	179.9°	179.9°
C13	C12	C11	H13	0.0°	0.0°
C12	C11	N2	H13	180.0°	179.7°
C12	C11	N2	C10	0.9°	0.4°
C11	C12	C17	C16	179.5°	179.6°
C11	C12	C17	C9	0.7°	0.5°
C11	C12	C13	H6	0.1°	0.5°
N2	C11	C12	C17	0.3°	0.7°
C11	N2	C10	C9	0.5°	0.1°
C11	N2	C10	H5	179.5°	179.7°
C14	C15	C16	H7	180.0°	180.0°
C14	C15	C16	C17	0.0°	0.0°
C15	C14	C13	H6	179.8°	180.0°
C14	C15	C16	H11	179.9°	180.0°
C12	C17	C16	C15	0.6°	0.0°
C12	C17	C16	C9	179.8°	180.0°
C12	C17	C9	C10	1.0°	0.1°
C12	C17	C9	N1	179.5°	180.0°
C17	C12	C13	H6	179.6°	179.9°
C12	C17	C16	H11	179.4°	179.9°
C17	C12	C11	H13	179.7°	179.6°
N2	C10	C9	C17	0.4°	0.3°
N2	C10	C9	H5	180.0°	179.6°
N2	C10	C9	N1	179.9°	179.7°
C10	N2	C11	H13	179.1°	179.8°
C15	C16	C17	H11	180.0°	179.9°
C15	C16	C17	C9	179.2°	180.0°
C16	C15	C14	H12	179.7°	180.0°
C16	C17	C9	C10	179.2°	179.9°
C16	C17	C9	N1	0.3°	0.0°
C17	C16	C15	H7	180.0°	180.0°
C17	C9	C10	N1	179.6°	179.9°
C17	C9	N1	C	91.4°	145.5°
C17	C9	N1	H1	88.6°	34.8°
C17	C9	C10	H5	179.6°	180.0°
C9	C17	C16	H11	0.8°	0.1°
C10	C9	N1	C	88.1°	34.6°
C10	C9	N1	H1	91.9°	145.2°
C9	N1	C	H1	180.0°	179.8°
C9	N1	C	C1	176.0°	175.8°
C9	N1	C	O	2.6°	4.1°
N1	C9	C10	H5	0.0°	0.1°
N1	C	C1	O	178.6°	179.9°
N1	C	C1	C2	155.9°	180.0°
N1	C	C1	H9	83.6°	60.0°
N1	C	C1	H10	35.3°	60.0°
C	C1	C2	H9	120.6°	120.0°
C	C1	C2	H10	120.6°	120.1°
C	C1	C2	C8	80.6°	90.0°
C	C1	C2	C3	99.4°	89.7°
C1	C	N1	H1	4.0°	4.4°
C	C1	H9	H10	118.2°	120.0°
O	C	C1	C2	25.5°	0.1°
O	C	N1	H1	177.4°	175.7°
O	C	C1	H9	95.1°	120.1°
O	C	C1	H10	146.1°	120.0°
C1	C2	C8	C3	180.0°	179.7°
C1	C2	C8	C6	178.7°	180.0°
C1	C2	C3	C4	179.6°	179.7°
C1	C2	C8	H4	1.3°	0.0°
C1	C2	C3	H8	0.5°	0.3°
C2	C1	H9	H10	118.2°	120.0°
C2	C8	C6	H4	180.0°	180.0°
C8	C2	C3	C4	0.5°	0.6°
C2	C8	C6	C7	171.0°	180.0°
C2	C8	C6	C5	2.7°	0.0°
C8	C2	C3	H8	179.5°	180.0°
C8	C2	C1	H9	158.8°	150.0°
C8	C2	C1	H10	40.0°	30.0°
C3	C2	C8	C6	1.2°	0.3°
C2	C3	C4	H8	180.0°	179.4°
C2	C3	C4	C5	0.8°	0.5°
C2	C3	C4	H2	179.2°	179.7°
C3	C2	C8	H4	178.8°	179.7°
C3	C2	C1	H9	21.2°	30.3°
C3	C2	C1	H10	140.1°	150.3°
C8	C6	C7	C5	173.6°	180.0°
C8	C6	C7	N	143.9°	98.9°
C8	C6	C5	C4	2.4°	0.0°
C8	C6	C5	H3	177.6°	180.0°
C3	C4	C5	C6	0.7°	0.2°
C3	C4	C5	H2	180.0°	179.8°
C3	C4	C5	H3	179.3°	179.7°
C7	C6	C5	C4	171.2°	180.0°
C7	C6	C5	H3	8.8°	0.0°
C7	C6	C8	H4	9.0°	0.0°
C5	C6	C7	N	29.7°	81.1°
C6	C5	C4	H3	180.0°	180.0°
C6	C5	C4	H2	179.3°	180.0°
C5	C6	C8	H4	177.3°	180.0°
C5	C4	C3	H8	179.2°	180.0°
H2	C4	C5	H3	0.7°	0.0°
H2	C4	C3	H8	0.8°	0.3°
H6	C13	C14	H12	0.1°	0.1°
H7	C15	C16	H11	0.1°	0.0°
H7	C15	C14	H12	0.3°	0.0°

Release date:	2023-11-08
Definition date:	2023-08-18
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	7GIG