A1ANG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	F	sing	1.35Å	1.36Å
C	C1	sing	1.39Å	1.36Å	Aromatic
C1	C2	doub	1.38Å	1.38Å	Aromatic
C2	C3	sing	1.38Å	1.39Å	Aromatic
C4	C3	sing	1.51Å	1.51Å
C5	C4	sing	1.53Å	1.53Å
C5	C6	sing	1.53Å	1.53Å
C6	C7	sing	1.53Å	1.53Å
C7	C8	sing	1.53Å	1.48Å
C8	N	sing	1.47Å	1.45Å
N	C9	sing	1.47Å	1.46Å
C9	C5	sing	1.53Å	1.53Å
C3	C10	doub	1.38Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.38Å	Aromatic
C11	C	doub	1.38Å	1.37Å	Aromatic
C4	H2	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C8	H10	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
C10	H14	sing	1.08Å	1.08Å
N	H11	sing	1.01Å	1.00Å
C1	H	sing	1.08Å	1.08Å
C11	H15	sing	1.08Å	1.08Å
C2	H1	sing	1.08Å	1.08Å
C9	H13	sing	1.09Å	1.10Å
C9	H12	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F	C	C1	118.4°	120.0°
F	C	C11	118.7°	120.1°
C	C1	C2	118.2°	120.0°
C1	C	C11	122.8°	119.9°
C	C1	H	120.9°	120.0°
C1	C2	C3	121.3°	120.0°
C2	C1	H	120.9°	120.0°
C1	C2	H1	119.3°	119.9°
C2	C3	C4	121.0°	120.0°
C2	C3	C10	118.1°	120.1°
C3	C2	H1	119.3°	120.0°
C3	C4	C5	117.5°	109.5°
C4	C3	C10	120.3°	120.0°
C3	C4	H2	107.4°	109.5°
C3	C4	H3	107.4°	109.5°
C4	C5	C6	111.0°	109.5°
C4	C5	C9	111.0°	109.5°
C5	C4	H2	107.4°	109.5°
C5	C4	H3	107.4°	109.5°
C4	C5	H4	108.6°	109.5°
C5	C6	C7	113.8°	109.2°
C6	C5	C9	109.1°	109.2°
C6	C5	H4	108.6°	109.5°
C5	C6	H5	108.4°	109.6°
C5	C6	H6	108.4°	109.5°
C6	C7	C8	110.5°	109.3°
C7	C6	H5	108.4°	109.5°
C7	C6	H6	108.4°	109.5°
C6	C7	H8	109.2°	109.6°
C6	C7	H7	109.2°	109.5°
C7	C8	N	107.4°	109.5°
C8	C7	H8	109.2°	109.5°
C8	C7	H7	109.2°	109.5°
C7	C8	H10	110.0°	109.5°
C7	C8	H9	110.0°	109.5°
C8	N	C9	111.6°	111.2°
N	C8	H10	110.0°	109.5°
N	C8	H9	110.0°	109.4°
C8	N	H11	108.9°	111.0°
N	C9	C5	114.5°	109.5°
C9	N	H11	108.9°	111.0°
N	C9	H13	108.2°	109.5°
N	C9	H12	108.2°	109.5°
C9	C5	H4	108.6°	109.6°
C5	C9	H13	108.2°	109.4°
C5	C9	H12	108.2°	109.5°
C3	C10	C11	121.3°	120.0°
C3	C10	H14	119.4°	120.0°
C10	C11	C	118.2°	120.0°
C11	C10	H14	119.4°	120.0°
C10	C11	H15	120.9°	120.0°
C	C11	H15	120.9°	120.0°
H2	C4	H3	109.5°	109.5°
H5	C6	H6	109.5°	109.5°
H8	C7	H7	109.5°	109.4°
H10	C8	H9	109.4°	109.4°
H13	C9	H12	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F	C	C1	C11	177.2°	180.0°
F	C	C1	C2	175.1°	179.5°
F	C	C11	C10	175.9°	180.0°
F	C	C1	H	4.9°	0.0°
F	C	C11	H15	4.1°	0.0°
C	C1	C2	H	180.0°	179.5°
C	C1	C2	C3	0.5°	0.8°
C1	C	C11	C10	1.3°	0.0°
C1	C	C11	H15	178.7°	180.0°
C	C1	C2	H1	179.5°	180.0°
C1	C2	C3	H1	180.0°	179.2°
C1	C2	C3	C4	169.2°	179.5°
C1	C2	C3	C10	1.7°	0.5°
C2	C1	C	C11	2.1°	0.5°
C2	C3	C4	C10	170.7°	180.0°
C2	C3	C4	C5	69.3°	90.0°
C2	C3	C10	C11	2.5°	0.1°
C2	C3	C4	H2	51.9°	30.0°
C2	C3	C4	H3	169.6°	150.0°
C2	C3	C10	H14	177.5°	179.7°
C3	C2	C1	H	179.5°	179.8°
C3	C4	C5	H2	121.2°	120.0°
C3	C4	C5	H3	121.1°	120.0°
C3	C4	C5	C6	173.0°	175.0°
C3	C4	C5	C9	65.6°	65.2°
C4	C3	C10	C11	168.5°	180.0°
C3	C4	H2	H3	116.4°	120.0°
C3	C4	C5	H4	53.7°	54.9°
C4	C3	C10	H14	11.5°	0.2°
C4	C3	C2	H1	10.8°	0.3°
C4	C5	C6	C9	122.5°	120.0°
C4	C5	C6	H4	119.3°	120.1°
C4	C5	C6	C7	166.4°	177.6°
C4	C5	C9	N	168.2°	179.1°
C4	C5	C9	H4	119.3°	120.1°
C5	C4	C3	C10	120.0°	90.0°
C5	C4	H2	H3	116.3°	120.0°
C4	C5	C6	H5	45.7°	57.7°
C4	C5	C6	H6	73.0°	62.5°
C4	C5	C9	H13	47.4°	60.9°
C4	C5	C9	H12	71.1°	59.1°
C5	C6	C7	H5	120.6°	119.9°
C5	C6	C7	H6	120.6°	119.9°
C5	C6	C7	C8	54.2°	57.7°
C6	C5	C9	N	45.6°	59.2°
C6	C5	C9	H4	118.2°	119.9°
C6	C5	C4	H2	65.9°	55.0°
C6	C5	C4	H3	51.8°	65.0°
C5	C6	H5	H6	118.0°	120.2°
C5	C6	C7	H8	174.4°	177.6°
C5	C6	C7	H7	66.0°	62.3°
C6	C5	C9	H13	75.1°	179.2°
C6	C5	C9	H12	166.4°	60.9°
C6	C7	C8	H8	120.2°	120.0°
C6	C7	C8	H7	120.1°	120.0°
C6	C7	C8	N	62.3°	59.2°
C7	C6	C5	C9	43.8°	57.6°
C7	C6	C5	H4	74.4°	62.3°
C7	C6	H5	H6	118.0°	120.1°
C6	C7	H8	H7	119.5°	120.1°
C6	C7	C8	H10	57.4°	60.8°
C6	C7	C8	H9	178.0°	179.2°
C7	C8	N	H10	119.7°	120.0°
C7	C8	N	H9	119.7°	120.0°
C7	C8	N	C9	64.7°	61.8°
C8	C7	C6	H5	66.4°	62.3°
C8	C7	C6	H6	174.8°	177.6°
C8	C7	H8	H7	119.6°	120.1°
C7	C8	H10	H9	120.9°	120.0°
C7	C8	N	H11	175.0°	174.2°
C8	N	C9	H11	120.3°	124.1°
C8	N	C9	C5	58.2°	61.8°
N	C8	C7	H8	177.5°	179.2°
N	C8	C7	H7	57.8°	60.8°
N	C8	H10	H9	120.9°	119.9°
C8	N	C9	H13	62.6°	178.2°
C8	N	C9	H12	178.9°	58.2°
N	C9	C5	H13	120.7°	120.0°
N	C9	C5	H12	120.7°	120.1°
N	C9	C5	H4	72.6°	60.7°
C9	N	C8	H10	55.0°	58.3°
C9	N	C8	H9	175.6°	178.2°
N	C9	H13	H12	117.7°	120.0°
C9	C5	C4	H2	55.6°	174.8°
C9	C5	C4	H3	173.3°	54.8°
C9	C5	C6	H5	76.8°	62.3°
C9	C5	C6	H6	164.4°	177.6°
C5	C9	N	H11	178.5°	174.1°
C5	C9	H13	H12	117.7°	119.9°
C3	C10	C11	H14	180.0°	179.8°
C3	C10	C11	C	1.1°	0.2°
C10	C3	C4	H2	118.8°	150.0°
C10	C3	C4	H3	1.1°	30.0°
C3	C10	C11	H15	178.9°	179.8°
C10	C3	C2	H1	178.3°	179.7°
C10	C11	C	H15	180.0°	180.0°
C	C11	C10	H14	178.9°	180.0°
C11	C	C1	H	177.9°	180.0°
H2	C4	C5	H4	174.9°	65.1°
H3	C4	C5	H4	67.4°	175.0°
H4	C5	C6	H5	165.0°	177.7°
H4	C5	C6	H6	46.2°	57.6°
H4	C5	C9	H13	166.7°	59.3°
H4	C5	C9	H12	48.2°	179.2°
H5	C6	C7	H8	53.7°	57.7°
H5	C6	C7	H7	173.4°	177.7°
H6	C6	C7	H8	65.0°	62.5°
H6	C6	C7	H7	54.7°	57.6°
H8	C7	C8	H10	62.8°	59.2°
H8	C7	C8	H9	57.8°	60.8°
H7	C7	C8	H10	177.5°	179.2°
H7	C7	C8	H9	61.9°	59.2°
H10	C8	N	H11	65.3°	65.8°
H9	C8	N	H11	55.3°	54.1°
H14	C10	C11	H15	1.1°	0.0°
H11	N	C9	H13	57.7°	54.1°
H11	N	C9	H12	60.8°	65.8°
H	C1	C2	H1	0.5°	0.6°

Release date:	2024-04-24
Definition date:	2024-04-15
Last modified:	2024-04-19
Release status:	REL
Processing site:	RCSB
Derived from:	7H4X