A1AMY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	F	sing	1.35Å	1.35Å
C	C1	doub	1.38Å	1.37Å	Aromatic
C1	C2	sing	1.38Å	1.38Å	Aromatic
C2	C3	doub	1.38Å	1.38Å	Aromatic
C3	C4	sing	1.38Å	1.39Å	Aromatic
C4	C5	doub	1.38Å	1.39Å	Aromatic
C5	C	sing	1.38Å	1.38Å	Aromatic
C6	C5	sing	1.51Å	1.51Å
N	C6	sing	1.47Å	1.46Å
C7	N	sing	1.47Å	1.48Å
C7	C8	sing	1.53Å	1.52Å
C8	C9	sing	1.53Å	1.51Å
C9	O	sing	1.43Å	1.43Å
O	C10	sing	1.43Å	1.43Å
C10	C11	sing	1.53Å	1.51Å
C11	C7	sing	1.53Å	1.52Å
C4	H3	sing	1.08Å	1.08Å
C6	H5	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
C10	H12	sing	1.09Å	1.10Å
C10	H13	sing	1.09Å	1.10Å
N	H6	sing	1.01Å	1.00Å
C1	H	sing	1.08Å	1.08Å
C11	H14	sing	1.09Å	1.10Å
C11	H15	sing	1.09Å	1.10Å
C2	H1	sing	1.08Å	1.08Å
C3	H2	sing	1.08Å	1.08Å
C9	H10	sing	1.09Å	1.10Å
C9	H11	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F	C	C1	118.7°	120.0°
F	C	C5	117.9°	120.0°
C	C1	C2	118.4°	119.9°
C1	C	C5	123.4°	119.9°
C	C1	H	120.8°	120.0°
C1	C2	C3	120.2°	120.1°
C2	C1	H	120.8°	120.0°
C1	C2	H1	119.9°	120.0°
C2	C3	C4	120.2°	120.0°
C3	C2	H1	119.9°	120.0°
C2	C3	H2	119.9°	120.0°
C3	C4	C5	120.8°	120.0°
C3	C4	H3	119.6°	120.0°
C4	C3	H2	119.9°	120.0°
C4	C5	C	117.0°	120.0°
C4	C5	C6	121.9°	120.0°
C5	C4	H3	119.6°	120.0°
C	C5	C6	121.1°	120.0°
C5	C6	N	114.6°	109.5°
C5	C6	H5	108.2°	109.5°
C5	C6	H4	108.2°	109.5°
C6	N	C7	112.4°	111.0°
N	C6	H5	108.2°	109.4°
N	C6	H4	108.2°	109.5°
C6	N	H6	108.7°	111.0°
N	C7	C8	108.2°	109.5°
N	C7	C11	119.4°	109.6°
N	C7	H7	106.3°	109.5°
C7	N	H6	108.7°	111.0°
C7	C8	C9	109.1°	109.1°
C8	C7	C11	110.3°	109.0°
C8	C7	H7	105.9°	109.5°
C7	C8	H8	109.6°	109.5°
C7	C8	H9	109.6°	109.5°
C8	C9	O	111.6°	109.4°
C9	C8	H8	109.6°	109.5°
C9	C8	H9	109.5°	109.5°
C8	C9	H10	109.0°	109.5°
C8	C9	H11	108.9°	109.5°
C9	O	C10	111.8°	114.1°
O	C9	H10	108.9°	109.4°
O	C9	H11	109.0°	109.5°
O	C10	C11	111.4°	109.4°
O	C10	H12	109.0°	109.5°
O	C10	H13	109.0°	109.5°
C10	C11	C7	108.6°	109.2°
C11	C10	H12	109.0°	109.5°
C11	C10	H13	109.0°	109.5°
C10	C11	H14	109.7°	109.5°
C10	C11	H15	109.7°	109.5°
C11	C7	H7	105.9°	109.7°
C7	C11	H14	109.7°	109.5°
C7	C11	H15	109.7°	109.5°
H5	C6	H4	109.5°	109.5°
H8	C8	H9	109.5°	109.6°
H12	C10	H13	109.4°	109.5°
H14	C11	H15	109.5°	109.6°
H10	C9	H11	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F	C	C1	C5	177.6°	180.0°
F	C	C1	C2	177.1°	180.0°
F	C	C5	C4	176.3°	180.0°
F	C	C5	C6	4.3°	0.1°
F	C	C1	H	2.9°	0.0°
C	C1	C2	H	180.0°	180.0°
C	C1	C2	C3	0.6°	0.2°
C1	C	C5	C4	1.4°	0.0°
C1	C	C5	C6	178.0°	180.0°
C	C1	C2	H1	179.4°	180.0°
C1	C2	C3	H1	180.0°	179.7°
C1	C2	C3	C4	0.8°	0.5°
C2	C1	C	C5	0.6°	0.0°
C1	C2	C3	H2	179.3°	180.0°
C2	C3	C4	H2	180.0°	179.4°
C2	C3	C4	C5	0.1°	0.5°
C2	C3	C4	H3	179.9°	179.7°
C3	C2	C1	H	179.4°	179.7°
C3	C4	C5	H3	180.0°	179.7°
C3	C4	C5	C	1.2°	0.3°
C3	C4	C5	C6	178.2°	179.7°
C4	C3	C2	H1	179.2°	179.7°
C4	C5	C	C6	179.4°	179.9°
C4	C5	C6	N	87.4°	105.0°
C4	C5	C6	H5	151.9°	135.0°
C4	C5	C6	H4	33.4°	15.0°
C5	C4	C3	H2	179.9°	180.0°
C	C5	C6	N	92.0°	74.9°
C	C5	C4	H3	178.9°	180.0°
C	C5	C6	H5	28.8°	45.0°
C	C5	C6	H4	147.2°	165.0°
C5	C	C1	H	179.5°	180.0°
C5	C6	N	H5	120.8°	120.0°
C5	C6	N	H4	120.8°	120.0°
C5	C6	N	C7	167.7°	180.0°
C6	C5	C4	H3	1.7°	0.1°
C5	C6	H5	H4	117.7°	120.0°
C5	C6	N	H6	47.3°	56.1°
C6	N	C7	H6	120.4°	124.0°
C6	N	C7	C8	160.3°	155.0°
C6	N	C7	C11	72.6°	85.5°
N	C6	H5	H4	117.7°	120.0°
C6	N	C7	H7	46.9°	34.8°
N	C7	C8	C11	132.3°	119.9°
N	C7	C8	H7	113.7°	120.1°
N	C7	C8	C9	172.4°	176.9°
N	C7	C11	C10	177.8°	176.9°
N	C7	C11	H7	119.7°	120.2°
C7	N	C6	H5	71.5°	60.0°
C7	N	C6	H4	46.9°	60.0°
N	C7	C8	H8	52.5°	63.3°
N	C7	C8	H9	67.7°	57.0°
N	C7	C11	H14	58.0°	57.0°
N	C7	C11	H15	62.3°	63.2°
C7	C8	C9	H8	119.9°	119.9°
C7	C8	C9	H9	119.9°	119.9°
C7	C8	C9	O	56.5°	57.6°
C8	C7	C11	C10	56.0°	57.0°
C8	C7	C11	H7	114.1°	119.9°
C7	C8	H8	H9	120.2°	120.2°
C8	C7	N	H6	39.9°	31.0°
C8	C7	C11	H14	175.8°	62.9°
C8	C7	C11	H15	63.9°	176.9°
C7	C8	C9	H10	63.8°	62.4°
C7	C8	C9	H11	176.8°	177.6°
C8	C9	O	H10	120.3°	120.0°
C8	C9	O	H11	120.3°	120.0°
C8	C9	O	C10	59.2°	61.1°
C9	C8	C7	C11	55.4°	57.0°
C9	C8	C7	H7	58.7°	63.0°
C9	C8	H8	H9	120.2°	120.1°
C8	C9	H10	H11	119.0°	120.0°
C9	O	C10	C11	60.0°	61.1°
O	C9	C8	H8	176.4°	177.5°
O	C9	C8	H9	63.5°	62.3°
C9	O	C10	H12	60.3°	58.9°
C9	O	C10	H13	179.7°	178.9°
O	C9	H10	H11	119.0°	120.0°
O	C10	C11	H12	120.3°	120.0°
O	C10	C11	H13	120.3°	120.0°
O	C10	C11	C7	57.8°	57.6°
O	C10	H12	H13	119.1°	120.0°
O	C10	C11	H14	177.6°	62.3°
O	C10	C11	H15	62.1°	177.5°
C10	O	C9	H10	61.1°	58.9°
C10	O	C9	H11	179.6°	178.9°
C10	C11	C7	H14	119.9°	119.9°
C10	C11	C7	H15	119.9°	119.9°
C10	C11	C7	H7	58.1°	62.9°
C11	C10	H12	H13	119.1°	120.0°
C10	C11	H14	H15	120.4°	120.1°
C11	C7	C8	H8	175.3°	176.9°
C11	C7	C8	H9	64.6°	62.9°
C7	C11	C10	H12	62.5°	62.4°
C7	C11	C10	H13	178.1°	177.6°
C11	C7	N	H6	167.0°	150.5°
C7	C11	H14	H15	120.4°	120.2°
H3	C4	C3	H2	0.1°	0.3°
H5	C6	N	H6	168.0°	176.0°
H4	C6	N	H6	73.5°	64.0°
H7	C7	C8	H8	61.2°	56.9°
H7	C7	C8	H9	178.6°	177.1°
H7	C7	N	H6	73.5°	89.1°
H7	C7	C11	H14	61.8°	177.2°
H7	C7	C11	H15	178.0°	57.0°
H8	C8	C9	H10	56.1°	57.6°
H8	C8	C9	H11	63.2°	62.5°
H9	C8	C9	H10	176.2°	177.7°
H9	C8	C9	H11	56.9°	57.7°
H12	C10	C11	H14	57.3°	177.7°
H12	C10	C11	H15	177.6°	57.5°
H13	C10	C11	H14	62.1°	57.7°
H13	C10	C11	H15	58.2°	62.5°
H	C1	C2	H1	0.6°	0.0°
H1	C2	C3	H2	0.7°	0.3°

Release date:	2024-04-24
Definition date:	2024-04-15
Last modified:	2024-04-19
Release status:	REL
Processing site:	RCSB
Derived from:	7H2V