LF3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C3	doub	1.32Å	1.34Å	Aromatic
N	C4	sing	1.32Å	1.34Å	Aromatic
C3	C2	sing	1.38Å	1.38Å	Aromatic
C4	C5	doub	1.39Å	1.39Å	Aromatic
C2	C1	doub	1.39Å	1.39Å	Aromatic
C5	C1	sing	1.39Å	1.40Å	Aromatic
C5	N1	sing	1.40Å	1.41Å
C1	C	sing	1.51Å	1.51Å
N1	C6	sing	1.35Å	1.35Å
CL	C13	sing	1.74Å	1.74Å
O	C6	doub	1.21Å	1.23Å
C6	C7	sing	1.51Å	1.52Å
C13	C14	doub	1.38Å	1.38Å	Aromatic
C13	C12	sing	1.38Å	1.37Å	Aromatic
C14	C15	sing	1.38Å	1.39Å	Aromatic
C7	N2	sing	1.47Å	1.46Å
C12	C11	doub	1.38Å	1.38Å	Aromatic
C15	N2	sing	1.40Å	1.41Å
C15	C10	doub	1.39Å	1.39Å	Aromatic
N2	C8	sing	1.35Å	1.38Å
C11	C10	sing	1.38Å	1.38Å	Aromatic
C8	O1	doub	1.21Å	1.23Å
C8	C9	sing	1.51Å	1.51Å
C10	O2	sing	1.36Å	1.37Å
C9	O2	sing	1.43Å	1.43Å
N1	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C11	H5	sing	1.08Å	1.08Å
C2	H6	sing	1.08Å	1.08Å
C9	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
C12	H9	sing	1.08Å	1.08Å
C14	H10	sing	1.08Å	1.08Å
C	H11	sing	1.09Å	1.10Å
C	H12	sing	1.09Å	1.10Å
C	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)
C3	N	C4	117.5°	121.8°
N	C3	C2	123.4°	120.9°
N	C3	H14	118.3°	119.6°
N	C4	C5	123.0°	120.7°
N	C4	H2	118.5°	119.7°
C3	C2	C1	119.7°	119.3°
C3	C2	H6	120.1°	120.4°
C2	C3	H14	118.3°	119.5°
C4	C5	C1	119.1°	119.0°
C4	C5	N1	120.7°	120.5°
C5	C4	H2	118.5°	119.6°
C2	C1	C5	117.3°	118.3°
C2	C1	C	120.6°	120.9°
C1	C2	H6	120.2°	120.3°
C1	C5	N1	120.1°	120.5°
C5	C1	C	122.0°	120.8°
C5	N1	C6	123.8°	120.0°
C5	N1	H1	118.1°	120.0°
C1	C	H11	109.5°	109.4°
C1	C	H12	109.5°	109.4°
C1	C	H13	109.5°	109.5°
N1	C6	O	124.3°	120.0°
N1	C6	C7	114.4°	120.0°
C6	N1	H1	118.1°	120.0°
CL	C13	C14	119.1°	119.9°
CL	C13	C12	118.8°	120.0°
O	C6	C7	121.2°	120.0°
C6	C7	N2	109.1°	109.5°
C6	C7	H3	109.6°	109.4°
C6	C7	H4	109.6°	109.5°
C14	C13	C12	122.1°	120.1°
C13	C14	C15	118.4°	119.9°
C13	C14	H10	120.8°	120.1°
C13	C12	C11	119.5°	120.2°
C13	C12	H9	120.2°	119.9°
C14	C15	N2	122.8°	120.7°
C14	C15	C10	119.4°	120.0°
C15	C14	H10	120.8°	120.0°
C7	N2	C15	120.4°	120.5°
C7	N2	C8	117.5°	120.5°
N2	C7	H3	109.6°	109.5°
N2	C7	H4	109.6°	109.5°
C12	C11	C10	119.3°	119.9°
C12	C11	H5	120.3°	120.0°
C11	C12	H9	120.3°	119.9°
N2	C15	C10	117.7°	119.3°
C15	N2	C8	121.7°	119.0°
C15	C10	C11	121.1°	119.9°
C15	C10	O2	121.7°	119.4°
N2	C8	O1	124.0°	120.2°
N2	C8	C9	117.4°	119.7°
C11	C10	O2	117.1°	120.7°
C10	C11	H5	120.3°	120.1°
O1	C8	C9	118.6°	120.1°
C8	C9	O2	114.2°	109.7°
C8	C9	H7	108.3°	109.4°
C8	C9	H8	108.3°	109.5°
C10	O2	C9	115.1°	116.7°
O2	C9	H7	108.2°	109.5°
O2	C9	H8	108.3°	109.4°
H3	C7	H4	109.5°	109.5°
H7	C9	H8	109.4°	109.4°
H11	C	H12	109.5°	109.5°
H11	C	H13	109.4°	109.5°
H12	C	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C3	C2	H14	180.0°	179.5°
C3	N	C4	C5	1.1°	0.0°
N	C3	C2	C1	1.6°	0.7°
C3	N	C4	H2	178.9°	179.7°
N	C3	C2	H6	178.4°	179.7°
C4	N	C3	C2	0.2°	0.5°
N	C4	C5	H2	180.0°	179.7°
N	C4	C5	C1	0.3°	0.3°
N	C4	C5	N1	175.9°	179.7°
C4	N	C3	H14	179.8°	179.9°
C3	C2	C1	H6	180.0°	179.6°
C3	C2	C1	C5	2.3°	0.4°
C3	C2	C1	C	173.7°	179.5°
C4	C5	C1	C2	1.4°	0.0°
C4	C5	C1	N1	176.2°	180.0°
C4	C5	C1	C	174.6°	180.0°
C4	C5	N1	C6	73.6°	24.8°
C4	C5	N1	H1	106.4°	154.9°
C2	C1	C5	C	176.0°	180.0°
C2	C1	C5	N1	177.6°	180.0°
C2	C1	C	H11	92.0°	90.0°
C2	C1	C	H12	148.0°	30.0°
C2	C1	C	H13	28.0°	150.0°
C1	C2	C3	H14	178.4°	179.8°
C1	C5	N1	C6	102.6°	155.2°
C1	C5	N1	H1	77.4°	25.1°
C1	C5	C4	H2	179.7°	180.0°
C5	C1	C2	H6	177.6°	180.0°
C5	C1	C	H11	92.1°	90.0°
C5	C1	C	H12	27.9°	150.1°
C5	C1	C	H13	147.9°	30.1°
N1	C5	C1	C	1.6°	0.0°
C5	N1	C6	H1	180.0°	179.8°
C5	N1	C6	O	1.9°	5.6°
C5	N1	C6	C7	179.2°	174.4°
N1	C5	C4	H2	4.1°	0.1°
C	C1	C2	H6	6.3°	0.1°
C1	C	H11	H12	120.0°	119.9°
C1	C	H11	H13	120.0°	120.0°
C1	C	H12	H13	120.0°	120.0°
N1	C6	O	C7	177.2°	180.0°
N1	C6	C7	N2	151.5°	180.0°
N1	C6	C7	H3	31.5°	60.0°
N1	C6	C7	H4	88.6°	60.0°
CL	C13	C14	C12	178.4°	179.2°
CL	C13	C14	C15	178.8°	180.0°
CL	C13	C12	C11	175.4°	179.8°
CL	C13	C12	H9	4.6°	0.8°
CL	C13	C14	H10	1.2°	0.8°
O	C6	C7	N2	26.0°	0.0°
O	C6	N1	H1	178.1°	174.6°
O	C6	C7	H3	145.9°	120.0°
O	C6	C7	H4	94.0°	120.0°
C6	C7	N2	H3	119.9°	119.9°
C6	C7	N2	H4	119.9°	120.0°
C6	C7	N2	C15	100.3°	90.0°
C6	C7	N2	C8	72.7°	90.0°
C7	C6	N1	H1	0.7°	5.4°
C6	C7	H3	H4	120.2°	120.0°
C13	C14	C15	H10	180.0°	179.2°
C14	C13	C12	C11	3.0°	0.5°
C13	C14	C15	N2	172.3°	179.5°
C13	C14	C15	C10	3.9°	0.5°
C14	C13	C12	H9	177.0°	180.0°
C12	C13	C14	C15	0.4°	0.8°
C13	C12	C11	H9	180.0°	179.5°
C13	C12	C11	C10	2.8°	0.0°
C13	C12	C11	H5	177.2°	180.0°
C12	C13	C14	H10	179.6°	180.0°
C14	C15	N2	C7	6.5°	15.5°
C14	C15	N2	C10	176.2°	180.0°
C14	C15	N2	C8	166.2°	164.5°
C14	C15	C10	C11	4.2°	0.0°
C14	C15	C10	O2	173.3°	179.8°
C7	N2	C15	C8	172.7°	180.0°
C7	N2	C15	C10	177.2°	164.5°
C7	N2	C8	O1	2.9°	1.6°
C7	N2	C8	C9	176.6°	178.6°
N2	C7	H3	H4	120.2°	120.0°
C12	C11	C10	C15	0.8°	0.2°
C12	C11	C10	H5	180.0°	180.0°
C12	C11	C10	O2	176.8°	180.0°
N2	C15	C10	C11	172.2°	180.0°
C15	N2	C8	O1	175.8°	178.3°
C15	N2	C8	C9	3.7°	1.4°
N2	C15	C10	O2	10.3°	0.2°
C15	N2	C7	H3	139.8°	30.0°
C15	N2	C7	H4	19.7°	150.0°
N2	C15	C14	H10	7.7°	0.3°
C10	C15	N2	C8	10.1°	15.5°
C15	C10	C11	O2	177.6°	179.8°
C15	C10	O2	C9	35.8°	33.1°
C15	C10	C11	H5	179.2°	179.7°
C10	C15	C14	H10	176.1°	179.7°
N2	C8	O1	C9	179.5°	179.8°
N2	C8	C9	O2	21.0°	31.1°
C8	N2	C7	H3	47.2°	150.1°
C8	N2	C7	H4	167.3°	30.0°
N2	C8	C9	H7	99.6°	89.0°
N2	C8	C9	H8	141.8°	151.1°
C11	C10	O2	C9	146.6°	147.2°
C10	C11	C12	H9	177.2°	179.5°
O1	C8	C9	O2	159.4°	148.7°
O1	C8	C9	H7	79.9°	91.2°
O1	C8	C9	H8	38.7°	28.7°
C8	C9	O2	C10	39.7°	46.4°
C8	C9	O2	H7	120.7°	120.0°
C8	C9	O2	H8	120.7°	120.1°
C8	C9	H7	H8	117.8°	119.9°
O2	C10	C11	H5	3.2°	0.1°
C10	O2	C9	H7	81.0°	73.6°
C10	O2	C9	H8	160.5°	166.5°
O2	C9	H7	H8	117.8°	119.9°
H5	C11	C12	H9	2.8°	0.5°
H6	C2	C3	H14	1.6°	0.2°
H11	C	H12	H13	119.9°	120.1°

Release date:	2023-11-08
Definition date:	2023-08-15
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	7GCK