QF5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	C13	doub	1.36Å	1.37Å	Aromatic
C12	C11	sing	1.40Å	1.42Å	Aromatic
C13	C14	sing	1.39Å	1.39Å	Aromatic
C10	C11	doub	1.40Å	1.42Å	Aromatic
C10	N1	sing	1.31Å	1.33Å	Aromatic
C11	C16	sing	1.42Å	1.42Å	Aromatic
C14	C15	doub	1.36Å	1.37Å	Aromatic
N1	C9	doub	1.32Å	1.34Å	Aromatic
C16	C15	sing	1.40Å	1.42Å	Aromatic
C16	C8	doub	1.41Å	1.43Å	Aromatic
C9	C8	sing	1.38Å	1.40Å	Aromatic
C8	N	sing	1.40Å	1.41Å
N	C	sing	1.35Å	1.36Å
C	C1	sing	1.51Å	1.52Å
C	O	doub	1.21Å	1.23Å
C1	C2	sing	1.51Å	1.51Å
C2	C3	doub	1.38Å	1.39Å	Aromatic
C2	C7	sing	1.38Å	1.39Å	Aromatic
C3	C4	sing	1.38Å	1.39Å	Aromatic
C7	C6	doub	1.38Å	1.39Å	Aromatic
C4	C5	doub	1.38Å	1.38Å	Aromatic
C6	C5	sing	1.38Å	1.38Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C7	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
N	H8	sing	0.97Å	1.00Å
C14	H9	sing	1.08Å	1.08Å
C12	H10	sing	1.08Å	1.08Å
C9	H11	sing	1.08Å	1.08Å
C1	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C3	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C13	C12	C11	120.6°	119.5°
C12	C13	C14	120.6°	121.1°
C12	C13	H6	119.7°	119.5°
C13	C12	H10	119.7°	120.2°
C12	C11	C10	123.2°	122.0°
C12	C11	C16	119.1°	119.3°
C11	C12	H10	119.7°	120.2°
C13	C14	C15	120.6°	121.0°
C14	C13	H6	119.7°	119.4°
C13	C14	H9	119.7°	119.5°
C11	C10	N1	124.2°	120.2°
C10	C11	C16	117.7°	118.7°
C11	C10	H5	117.9°	120.0°
C10	N1	C9	117.5°	122.8°
N1	C10	H5	117.9°	119.8°
C11	C16	C15	118.1°	119.6°
C11	C16	C8	118.1°	118.2°
C14	C15	C16	121.0°	119.5°
C14	C15	H7	119.5°	120.2°
C15	C14	H9	119.7°	119.5°
N1	C9	C8	125.1°	121.6°
N1	C9	H11	117.5°	119.2°
C15	C16	C8	123.8°	122.2°
C16	C15	H7	119.5°	120.3°
C16	C8	C9	117.4°	118.4°
C16	C8	N	118.8°	120.8°
C9	C8	N	123.7°	120.8°
C8	C9	H11	117.5°	119.2°
C8	N	C	127.9°	120.0°
C8	N	H8	116.0°	120.0°
N	C	C1	114.6°	120.0°
N	C	O	123.7°	120.0°
C	N	H8	116.1°	120.0°
C1	C	O	121.7°	120.0°
C	C1	C2	112.5°	109.5°
C	C1	H12	108.7°	109.5°
C	C1	H13	108.7°	109.5°
C1	C2	C3	120.6°	120.0°
C1	C2	C7	120.7°	120.0°
C2	C1	H12	108.7°	109.5°
C2	C1	H13	108.7°	109.5°
C3	C2	C7	118.5°	120.0°
C2	C3	C4	120.8°	120.0°
C2	C3	H14	119.6°	120.0°
C2	C7	C6	120.7°	120.0°
C2	C7	H4	119.7°	120.0°
C3	C4	C5	120.1°	120.0°
C3	C4	H1	120.0°	120.0°
C4	C3	H14	119.6°	120.0°
C7	C6	C5	120.1°	120.0°
C7	C6	H3	119.9°	120.0°
C6	C7	H4	119.6°	120.0°
C4	C5	C6	119.8°	120.0°
C5	C4	H1	120.0°	120.1°
C4	C5	H2	120.1°	120.0°
C6	C5	H2	120.1°	120.0°
C5	C6	H3	120.0°	120.0°
H12	C1	H13	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C13	C12	C11	H10	180.0°	179.9°
C12	C13	C14	H6	180.0°	179.9°
C13	C12	C11	C10	178.3°	180.0°
C13	C12	C11	C16	1.1°	0.1°
C12	C13	C14	C15	0.9°	0.0°
C12	C13	C14	H9	179.1°	179.9°
C11	C12	C13	C14	0.0°	0.0°
C12	C11	C10	C16	179.4°	179.9°
C12	C11	C10	N1	180.0°	180.0°
C12	C11	C16	C15	1.3°	0.1°
C12	C11	C16	C8	179.2°	180.0°
C12	C11	C10	H5	0.0°	0.1°
C11	C12	C13	H6	180.0°	180.0°
C13	C14	C15	H9	180.0°	179.9°
C13	C14	C15	C16	0.6°	0.1°
C13	C14	C15	H7	179.4°	180.0°
C14	C13	C12	H10	180.0°	180.0°
C11	C10	N1	H5	180.0°	180.0°
C11	C10	N1	C9	0.4°	0.0°
C10	C11	C16	C15	178.1°	180.0°
C10	C11	C16	C8	1.3°	0.1°
C10	C11	C12	H10	1.7°	0.1°
N1	C10	C11	C16	0.5°	0.1°
C10	N1	C9	C8	0.5°	0.0°
C10	N1	C9	H11	179.5°	180.0°
C11	C16	C15	C14	0.5°	0.1°
C11	C16	C15	C8	179.4°	179.9°
C11	C16	C8	C9	1.2°	0.1°
C11	C16	C8	N	176.7°	180.0°
C16	C11	C10	H5	179.4°	180.0°
C11	C16	C15	H7	179.5°	180.0°
C16	C11	C12	H10	178.9°	180.0°
C14	C15	C16	H7	180.0°	179.9°
C14	C15	C16	C8	179.9°	180.0°
C15	C14	C13	H6	179.1°	180.0°
N1	C9	C8	C16	0.3°	0.0°
N1	C9	C8	H11	180.0°	180.0°
N1	C9	C8	N	177.5°	179.9°
C9	N1	C10	H5	179.6°	180.0°
C15	C16	C8	C9	178.2°	180.0°
C15	C16	C8	N	3.9°	0.1°
C16	C15	C14	H9	179.4°	179.8°
C16	C8	C9	N	177.8°	179.9°
C16	C8	N	C	98.3°	155.2°
C8	C16	C15	H7	0.1°	0.0°
C16	C8	N	H8	81.7°	24.9°
C16	C8	C9	H11	179.7°	180.0°
C9	C8	N	C	79.5°	24.7°
C9	C8	N	H8	100.5°	155.2°
C8	N	C	H8	180.0°	179.9°
C8	N	C	C1	174.5°	174.5°
C8	N	C	O	5.1°	5.6°
N	C8	C9	H11	2.5°	0.1°
N	C	C1	O	179.6°	179.9°
N	C	C1	C2	162.8°	180.0°
N	C	C1	H12	76.8°	59.9°
N	C	C1	H13	42.3°	60.0°
C	C1	C2	H12	120.4°	120.0°
C	C1	C2	H13	120.5°	120.0°
C	C1	C2	C3	85.1°	90.1°
C	C1	C2	C7	89.7°	90.6°
C1	C	N	H8	5.5°	5.5°
C	C1	H12	H13	118.6°	120.0°
O	C	C1	C2	16.8°	0.0°
O	C	N	H8	174.9°	174.5°
O	C	C1	H12	103.6°	120.0°
O	C	C1	H13	137.3°	120.1°
C1	C2	C3	C7	175.0°	179.4°
C1	C2	C3	C4	171.9°	180.0°
C1	C2	C7	C6	172.2°	179.8°
C1	C2	C7	H4	7.8°	0.4°
C2	C1	H12	H13	118.6°	120.0°
C1	C2	C3	H14	8.1°	0.0°
C2	C3	C4	H14	180.0°	180.0°
C3	C2	C7	C6	2.7°	0.4°
C2	C3	C4	C5	1.3°	0.6°
C2	C3	C4	H1	178.7°	179.6°
C3	C2	C7	H4	177.2°	179.8°
C3	C2	C1	H12	154.4°	30.0°
C3	C2	C1	H13	35.3°	149.9°
C7	C2	C3	C4	3.1°	0.6°
C2	C7	C6	H4	180.0°	179.9°
C2	C7	C6	C5	0.6°	0.1°
C2	C7	C6	H3	179.4°	179.9°
C7	C2	C1	H12	30.7°	149.4°
C7	C2	C1	H13	149.8°	29.4°
C7	C2	C3	H14	176.9°	179.4°
C3	C4	C5	H1	180.0°	179.7°
C3	C4	C5	C6	0.9°	0.3°
C3	C4	C5	H2	179.1°	179.8°
C7	C6	C5	C4	1.3°	0.1°
C7	C6	C5	H3	180.0°	179.9°
C7	C6	C5	H2	178.7°	180.0°
C4	C5	C6	H2	180.0°	179.9°
C4	C5	C6	H3	178.8°	180.0°
C5	C4	C3	H14	178.7°	179.4°
C6	C5	C4	H1	179.1°	179.9°
C5	C6	C7	H4	179.4°	180.0°
H1	C4	C5	H2	0.9°	0.0°
H1	C4	C3	H14	1.3°	0.3°
H2	C5	C6	H3	1.3°	0.1°
H3	C6	C7	H4	0.7°	0.1°
H6	C13	C14	H9	0.9°	0.1°
H6	C13	C12	H10	0.0°	0.1°
H7	C15	C14	H9	0.6°	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:	7GID