A1AJM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	doub	1.21Å	1.23Å
N	C	sing	1.35Å	1.33Å
C	C1	sing	1.51Å	1.54Å
C1	C2	sing	1.51Å	1.53Å
C2	C3	doub	1.38Å	1.39Å	Aromatic
C3	C4	sing	1.38Å	1.38Å	Aromatic
C4	C5	doub	1.38Å	1.37Å	Aromatic
C5	F	sing	1.35Å	1.36Å
C6	C5	sing	1.38Å	1.37Å	Aromatic
C7	C6	doub	1.38Å	1.38Å	Aromatic
C2	C7	sing	1.38Å	1.39Å	Aromatic
C1	C8	sing	1.53Å	1.56Å
C8	N1	sing	1.47Å	1.46Å
N1	C9	sing	1.47Å	1.48Å
C9	C10	sing	1.53Å	1.54Å
C10	C11	sing	1.53Å	1.53Å
C11	C1	sing	1.53Å	1.55Å
N1	H15	sing	1.01Å	1.00Å
C4	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
C7	H5	sing	1.08Å	1.08Å
C8	H7	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C10	H12	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C3	H2	sing	1.08Å	1.08Å
N	H1	sing	0.97Å	1.00Å
N	H	sing	0.97Å	1.00Å
C11	H14	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C9	H10	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	N	122.2°	120.0°
O	C	C1	120.7°	120.0°
N	C	C1	117.1°	120.0°
C	N	H1	120.0°	120.0°
C	N	H	120.0°	120.0°
C	C1	C2	106.1°	109.5°
C	C1	C8	105.6°	109.5°
C	C1	C11	113.5°	109.5°
C1	C2	C3	121.4°	120.0°
C1	C2	C7	120.3°	120.0°
C2	C1	C8	112.3°	109.5°
C2	C1	C11	111.0°	109.5°
C2	C3	C4	121.2°	120.0°
C3	C2	C7	118.3°	120.0°
C2	C3	H2	119.4°	120.0°
C3	C4	C5	118.2°	120.0°
C3	C4	H3	120.9°	120.0°
C4	C3	H2	119.4°	120.0°
C4	C5	F	118.6°	120.0°
C4	C5	C6	123.0°	119.9°
C5	C4	H3	120.9°	120.0°
F	C5	C6	118.4°	120.0°
C5	C6	C7	118.2°	120.0°
C5	C6	H4	120.9°	120.0°
C6	C7	C2	121.2°	120.1°
C7	C6	H4	120.9°	120.1°
C6	C7	H5	119.4°	120.0°
C2	C7	H5	119.4°	120.0°
C1	C8	N1	115.9°	109.5°
C8	C1	C11	108.1°	109.3°
C1	C8	H7	107.8°	109.5°
C1	C8	H6	107.8°	109.5°
C8	N1	C9	111.5°	111.2°
C8	N1	H15	108.9°	111.0°
N1	C8	H7	107.8°	109.5°
N1	C8	H6	107.8°	109.4°
N1	C9	C10	115.7°	109.5°
C9	N1	H15	109.0°	111.0°
N1	C9	H10	107.9°	109.5°
N1	C9	H9	107.9°	109.4°
C9	C10	C11	109.7°	109.2°
C9	C10	H12	109.4°	109.5°
C9	C10	H11	109.4°	109.5°
C10	C9	H10	107.9°	109.5°
C10	C9	H9	107.9°	109.4°
C10	C11	C1	114.3°	109.1°
C11	C10	H12	109.4°	109.5°
C11	C10	H11	109.4°	109.5°
C10	C11	H14	108.2°	109.5°
C10	C11	H13	108.3°	109.5°
C1	C11	H14	108.3°	109.5°
C1	C11	H13	108.2°	109.5°
H7	C8	H6	109.5°	109.4°
H12	C10	H11	109.4°	109.5°
H1	N	H	120.0°	120.0°
H14	C11	H13	109.5°	109.6°
H10	C9	H9	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	N	C1	179.8°	180.0°
O	C	C1	C2	78.3°	113.3°
O	C	C1	C8	41.1°	126.6°
O	C	C1	C11	159.5°	6.7°
O	C	N	H1	0.0°	175.0°
O	C	N	H	180.0°	5.0°
N	C	C1	C2	101.6°	66.7°
N	C	C1	C8	139.0°	53.4°
N	C	C1	C11	20.7°	173.2°
C	N	H1	H	180.0°	180.0°
C	C1	C2	C8	115.0°	120.1°
C	C1	C2	C11	123.8°	120.1°
C	C1	C2	C3	136.6°	64.5°
C	C1	C2	C7	41.4°	115.0°
C	C1	C8	C11	121.9°	120.0°
C	C1	C8	N1	98.2°	60.8°
C	C1	C11	C10	152.6°	62.3°
C	C1	C8	H7	140.9°	59.3°
C	C1	C8	H6	22.8°	179.2°
C1	C	N	H1	179.8°	5.1°
C1	C	N	H	0.2°	174.9°
C	C1	C11	H14	86.6°	177.8°
C	C1	C11	H13	31.9°	57.5°
C1	C2	C3	C7	178.0°	179.5°
C1	C2	C3	C4	177.0°	180.0°
C1	C2	C7	C6	176.9°	179.8°
C2	C1	C8	C11	122.9°	119.9°
C2	C1	C8	N1	146.6°	179.1°
C2	C1	C11	C10	87.9°	177.6°
C1	C2	C7	H5	3.1°	0.3°
C2	C1	C8	H7	25.6°	60.8°
C2	C1	C8	H6	92.5°	59.1°
C1	C2	C3	H2	3.0°	0.6°
C2	C1	C11	H14	32.8°	57.7°
C2	C1	C11	H13	151.4°	62.5°
C2	C3	C4	H2	180.0°	179.4°
C2	C3	C4	C5	0.2°	0.6°
C3	C2	C7	C6	1.1°	0.3°
C3	C2	C1	C8	21.6°	175.4°
C3	C2	C1	C11	99.6°	55.6°
C2	C3	C4	H3	179.8°	179.8°
C3	C2	C7	H5	178.9°	179.7°
C3	C4	C5	H3	180.0°	179.6°
C3	C4	C5	F	179.7°	179.7°
C3	C4	C5	C6	0.6°	0.4°
C4	C3	C2	C7	1.1°	0.5°
C4	C5	F	C6	179.7°	179.9°
C4	C5	C6	C7	0.5°	0.1°
C4	C5	C6	H4	179.5°	180.0°
C5	C4	C3	H2	179.8°	180.0°
F	C5	C6	C7	179.8°	180.0°
F	C5	C4	H3	0.3°	0.1°
F	C5	C6	H4	0.2°	0.1°
C5	C6	C7	H4	180.0°	179.9°
C5	C6	C7	C2	0.4°	0.1°
C6	C5	C4	H3	179.4°	180.0°
C5	C6	C7	H5	179.6°	180.0°
C6	C7	C2	H5	180.0°	180.0°
C7	C2	C1	C8	156.3°	5.1°
C7	C2	C1	C11	82.4°	124.9°
C2	C7	C6	H4	179.6°	180.0°
C7	C2	C3	H2	178.9°	179.9°
C1	C8	N1	H7	121.0°	120.1°
C1	C8	N1	H6	120.9°	120.0°
C1	C8	N1	C9	60.8°	61.7°
C8	C1	C11	C10	35.8°	57.7°
C1	C8	N1	H15	178.9°	174.2°
C1	C8	H7	H6	117.1°	120.0°
C8	C1	C11	H14	156.5°	62.2°
C8	C1	C11	H13	85.0°	177.5°
C8	N1	C9	H15	120.3°	124.1°
C8	N1	C9	C10	35.1°	61.8°
N1	C8	C1	C11	23.7°	59.2°
N1	C8	H7	H6	117.1°	119.9°
C8	N1	C9	H10	85.8°	58.3°
C8	N1	C9	H9	156.0°	178.3°
N1	C9	C10	H10	120.9°	120.0°
N1	C9	C10	H9	120.9°	119.9°
N1	C9	C10	C11	21.5°	59.2°
C9	N1	C8	H7	60.2°	178.2°
C9	N1	C8	H6	178.3°	58.3°
N1	C9	C10	H12	98.5°	60.7°
N1	C9	C10	H11	141.6°	179.1°
N1	C9	H10	H9	117.2°	119.9°
C9	C10	C11	H12	120.1°	120.0°
C9	C10	C11	H11	120.0°	119.9°
C9	C10	C11	C1	59.1°	57.7°
C10	C9	N1	H15	155.4°	174.1°
C9	C10	H12	H11	119.9°	120.1°
C9	C10	C11	H14	179.8°	62.2°
C9	C10	C11	H13	61.6°	177.6°
C10	C9	H10	H9	117.2°	120.0°
C10	C11	C1	H14	120.7°	119.9°
C10	C11	C1	H13	120.7°	119.9°
C11	C10	H12	H11	119.9°	120.1°
C10	C11	H14	H13	117.8°	120.1°
C11	C10	C9	H10	142.4°	60.8°
C11	C10	C9	H9	99.4°	179.2°
C11	C1	C8	H7	97.2°	179.3°
C11	C1	C8	H6	144.6°	60.8°
C1	C11	C10	H12	61.0°	62.3°
C1	C11	C10	H11	179.1°	177.6°
C1	C11	H14	H13	117.8°	120.2°
H15	N1	C8	H7	60.1°	54.1°
H15	N1	C8	H6	58.0°	65.8°
H15	N1	C9	H10	34.5°	65.8°
H15	N1	C9	H9	83.7°	54.2°
H3	C4	C3	H2	0.2°	0.4°
H4	C6	C7	H5	0.4°	0.1°
H12	C10	C11	H14	59.7°	177.8°
H12	C10	C11	H13	178.3°	57.6°
H12	C10	C9	H10	22.4°	179.2°
H12	C10	C9	H9	140.6°	59.2°
H11	C10	C11	H14	60.2°	57.7°
H11	C10	C11	H13	58.4°	62.5°
H11	C10	C9	H10	97.5°	59.1°
H11	C10	C9	H9	20.6°	60.9°

Release date:	2024-05-08
Definition date:	2024-04-03
Last modified:	2024-05-03
Release status:	REL
Processing site:	RCSB
Derived from:	7H1L