QF9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	N1	doub	1.31Å	1.32Å	Aromatic
C7	C8	sing	1.40Å	1.41Å	Aromatic
C9	C10	doub	1.36Å	1.36Å	Aromatic
C9	C8	sing	1.40Å	1.42Å	Aromatic
N1	C6	sing	1.32Å	1.34Å	Aromatic
C10	C11	sing	1.39Å	1.39Å	Aromatic
C8	C13	doub	1.42Å	1.42Å	Aromatic
C6	C5	doub	1.38Å	1.39Å	Aromatic
C11	C12	doub	1.36Å	1.37Å	Aromatic
C13	C12	sing	1.40Å	1.42Å	Aromatic
C13	C5	sing	1.41Å	1.43Å	Aromatic
C5	N	sing	1.40Å	1.41Å
N	C4	sing	1.35Å	1.35Å
C4	C3	sing	1.51Å	1.52Å
C4	O	doub	1.21Å	1.23Å
C3	C2	sing	1.51Å	1.51Å
C2	C1	doub	1.38Å	1.39Å	Aromatic
C2	C14	sing	1.38Å	1.39Å	Aromatic
C1	C	sing	1.39Å	1.38Å	Aromatic
C14	C15	doub	1.40Å	1.39Å	Aromatic
C	CL	sing	1.74Å	1.74Å
C	C17	doub	1.38Å	1.38Å	Aromatic
C15	C17	sing	1.40Å	1.39Å	Aromatic
C15	C16	sing	1.43Å	1.44Å
C16	N2	trip	1.14Å	1.14Å
C6	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.08Å	1.08Å
C10	H3	sing	1.08Å	1.08Å
C17	H4	sing	1.08Å	1.08Å
C14	H5	sing	1.08Å	1.08Å
C1	H6	sing	1.08Å	1.08Å
C3	H7	sing	1.09Å	1.10Å
C3	H8	sing	1.09Å	1.10Å
N	H9	sing	0.97Å	1.00Å
C12	H10	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C9	H12	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C7	C8	124.3°	120.2°
C7	N1	C6	117.5°	122.8°
N1	C7	H2	117.9°	119.9°
C7	C8	C9	122.9°	122.0°
C7	C8	C13	117.8°	118.7°
C8	C7	H2	117.8°	119.9°
C10	C9	C8	120.6°	119.6°
C9	C10	C11	120.6°	121.0°
C9	C10	H3	119.7°	119.5°
C10	C9	H12	119.7°	120.2°
C9	C8	C13	119.1°	119.3°
C8	C9	H12	119.7°	120.2°
N1	C6	C5	125.4°	121.6°
N1	C6	H1	117.3°	119.2°
C10	C11	C12	120.7°	121.0°
C11	C10	H3	119.7°	119.4°
C10	C11	H11	119.7°	119.5°
C8	C13	C12	117.9°	119.6°
C8	C13	C5	117.9°	118.3°
C6	C5	C13	116.9°	118.4°
C6	C5	N	119.2°	120.8°
C5	C6	H1	117.3°	119.2°
C11	C12	C13	121.1°	119.5°
C11	C12	H10	119.5°	120.3°
C12	C11	H11	119.7°	119.5°
C12	C13	C5	123.9°	122.2°
C13	C12	H10	119.5°	120.2°
C13	C5	N	121.2°	120.8°
C5	N	C4	131.1°	120.0°
C5	N	H9	114.4°	120.0°
N	C4	C3	114.1°	120.0°
N	C4	O	123.9°	120.0°
C4	N	H9	114.5°	120.0°
C3	C4	O	121.9°	120.0°
C4	C3	C2	113.8°	109.5°
C4	C3	H7	108.4°	109.5°
C4	C3	H8	108.4°	109.4°
C3	C2	C1	120.3°	119.9°
C3	C2	C14	120.3°	119.9°
C2	C3	H7	108.4°	109.5°
C2	C3	H8	108.4°	109.5°
C1	C2	C14	119.3°	120.2°
C2	C1	C	119.7°	120.3°
C2	C1	H6	120.2°	119.8°
C2	C14	C15	120.2°	119.8°
C2	C14	H5	119.8°	120.1°
C1	C	CL	119.2°	120.0°
C1	C	C17	121.7°	120.1°
C	C1	H6	120.2°	119.8°
C14	C15	C17	120.2°	119.7°
C14	C15	C16	120.0°	120.2°
C15	C14	H5	119.9°	120.0°
CL	C	C17	119.1°	120.0°
C	C17	C15	118.8°	119.9°
C	C17	H4	120.6°	120.1°
C17	C15	C16	119.7°	120.1°
C15	C17	H4	120.6°	120.1°
C15	C16	N2	178.3°	179.9°
H7	C3	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C7	C8	H2	180.0°	180.0°
N1	C7	C8	C9	171.9°	179.9°
N1	C7	C8	C13	2.5°	0.0°
C7	N1	C6	C5	2.3°	0.1°
C7	N1	C6	H1	177.6°	180.0°
C7	C8	C9	C10	172.8°	180.0°
C7	C8	C9	C13	174.4°	179.9°
C8	C7	N1	C6	1.8°	0.0°
C7	C8	C13	C12	172.9°	179.9°
C7	C8	C13	C5	0.7°	0.0°
C7	C8	C9	H12	7.2°	0.1°
C10	C9	C8	H12	180.0°	179.9°
C9	C10	C11	H3	180.0°	179.9°
C10	C9	C8	C13	1.5°	0.1°
C9	C10	C11	C12	1.1°	0.1°
C9	C10	C11	H11	179.0°	180.0°
C8	C9	C10	C11	0.1°	0.1°
C9	C8	C13	C12	1.8°	0.0°
C9	C8	C13	C5	175.4°	179.9°
C9	C8	C7	H2	8.0°	0.1°
C8	C9	C10	H3	179.9°	180.0°
N1	C6	C5	H1	180.0°	179.9°
N1	C6	C5	C13	5.4°	0.1°
N1	C6	C5	N	156.4°	179.9°
C6	N1	C7	H2	178.2°	180.0°
C10	C11	C12	H11	180.0°	179.9°
C10	C11	C12	C13	0.7°	0.0°
C10	C11	C12	H10	179.3°	180.0°
C11	C10	C9	H12	179.9°	179.9°
C8	C13	C5	C6	4.3°	0.1°
C8	C13	C12	C11	0.7°	0.0°
C8	C13	C12	C5	173.2°	179.9°
C8	C13	C5	N	157.2°	180.0°
C13	C8	C7	H2	177.5°	180.0°
C8	C13	C12	H10	179.3°	180.0°
C13	C8	C9	H12	178.5°	180.0°
C6	C5	C13	C12	168.9°	180.0°
C6	C5	C13	N	161.5°	180.0°
C6	C5	N	C4	131.0°	34.6°
C6	C5	N	H9	49.0°	145.5°
C11	C12	C13	H10	180.0°	180.0°
C11	C12	C13	C5	173.9°	179.9°
C12	C11	C10	H3	179.0°	180.0°
C12	C13	C5	N	29.6°	0.0°
C13	C12	C11	H11	179.3°	179.9°
C13	C5	N	C4	30.1°	145.4°
C13	C5	C6	H1	174.6°	180.0°
C13	C5	N	H9	149.9°	34.6°
C5	C13	C12	H10	6.1°	0.1°
C5	N	C4	H9	180.0°	180.0°
C5	N	C4	C3	152.5°	175.5°
C5	N	C4	O	31.9°	4.4°
N	C5	C6	H1	23.6°	0.0°
N	C4	C3	O	175.7°	179.9°
N	C4	C3	C2	130.6°	180.0°
N	C4	C3	H7	108.8°	60.0°
N	C4	C3	H8	10.0°	60.0°
C4	C3	C2	H7	120.6°	120.0°
C4	C3	C2	H8	120.6°	119.9°
C4	C3	C2	C1	81.6°	90.0°
C4	C3	C2	C14	98.0°	89.2°
C4	C3	H7	H8	118.0°	119.9°
C3	C4	N	H9	27.5°	4.5°
O	C4	C3	C2	45.1°	0.0°
O	C4	C3	H7	75.5°	120.0°
O	C4	C3	H8	165.8°	120.0°
O	C4	N	H9	148.1°	175.6°
C3	C2	C1	C14	179.6°	179.2°
C3	C2	C1	C	178.8°	180.0°
C3	C2	C14	C15	178.7°	179.8°
C3	C2	C14	H5	1.3°	0.3°
C3	C2	C1	H6	1.2°	0.8°
C2	C3	H7	H8	118.0°	120.0°
C2	C1	C	H6	180.0°	179.2°
C1	C2	C14	C15	0.9°	0.5°
C2	C1	C	CL	179.6°	179.5°
C2	C1	C	C17	0.1°	0.5°
C1	C2	C14	H5	179.1°	179.5°
C1	C2	C3	H7	157.8°	30.0°
C1	C2	C3	H8	39.0°	150.0°
C14	C2	C1	C	0.8°	0.8°
C2	C14	C15	H5	180.0°	180.0°
C2	C14	C15	C17	0.4°	0.1°
C2	C14	C15	C16	177.6°	179.7°
C14	C2	C1	H6	179.2°	180.0°
C14	C2	C3	H7	22.6°	150.8°
C14	C2	C3	H8	141.4°	30.7°
C1	C	CL	C17	179.8°	180.0°
C1	C	C17	C15	0.4°	0.0°
C1	C	C17	H4	179.6°	180.0°
C14	C15	C17	C	0.3°	0.2°
C14	C15	C17	C16	178.0°	179.8°
C14	C15	C16	N2	162.2°	15.3°
C14	C15	C17	H4	179.7°	179.7°
CL	C	C17	C15	179.8°	180.0°
CL	C	C17	H4	0.2°	0.1°
CL	C	C1	H6	0.4°	0.3°
C	C17	C15	H4	180.0°	179.9°
C	C17	C15	C16	178.2°	180.0°
C17	C	C1	H6	179.8°	179.8°
C17	C15	C16	N2	15.8°	164.5°
C17	C15	C14	H5	179.7°	180.0°
C16	C15	C17	H4	1.8°	0.1°
C16	C15	C14	H5	2.4°	0.2°
H3	C10	C11	H11	1.0°	0.1°
H3	C10	C9	H12	0.1°	0.0°
H10	C12	C11	H11	0.7°	0.1°

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