A1CLF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	sing	1.47Å	1.47Å
N1	C2	sing	1.47Å	1.46Å
C2	C3	sing	1.53Å	1.52Å
C3	C4	sing	1.53Å	1.53Å
C4	C5	sing	1.54Å	1.52Å
C5	C6	sing	1.52Å	1.51Å
C6	C7	sing	1.47Å	1.47Å
C7	C8	doub	1.41Å	1.44Å	Aromatic
C8	C9	sing	1.36Å	1.35Å	Aromatic
C9	C10	doub	1.41Å	1.42Å	Aromatic
C10	C11	sing	1.42Å	1.42Å	Aromatic
C7	C12	sing	1.40Å	1.38Å	Aromatic
C12	O1	sing	1.35Å	1.37Å
C6	O2	doub	1.21Å	1.22Å
C4	C13	sing	1.53Å	1.52Å
C13	C14	sing	1.53Å	1.52Å
N1	C14	sing	1.47Å	1.46Å
C4	O1	sing	1.43Å	1.46Å
C11	C12	doub	1.41Å	1.43Å	Aromatic
C10	C15	sing	1.40Å	1.42Å	Aromatic
C15	C16	doub	1.36Å	1.36Å	Aromatic
C16	C17	sing	1.39Å	1.40Å	Aromatic
C17	C18	doub	1.36Å	1.37Å	Aromatic
C11	C18	sing	1.40Å	1.41Å	Aromatic
C5	H8	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C8	H10	sing	1.08Å	1.08Å
C13	H12	sing	1.09Å	1.10Å
C13	H13	sing	1.09Å	1.10Å
C15	H16	sing	1.08Å	1.08Å
C17	H18	sing	1.08Å	1.08Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C14	H14	sing	1.09Å	1.10Å
C14	H15	sing	1.09Å	1.10Å
C16	H17	sing	1.08Å	1.08Å
C18	H19	sing	1.08Å	1.08Å
C2	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C9	H11	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	C2	110.4°	111.0°
C1	N1	C14	111.3°	111.0°
N1	C1	H1	109.5°	109.5°
N1	C1	H2	109.5°	109.5°
N1	C1	H3	109.5°	109.4°
N1	C2	C3	111.1°	109.5°
C2	N1	C14	108.8°	111.2°
N1	C2	H4	109.1°	109.5°
N1	C2	H5	109.1°	109.5°
C2	C3	C4	113.4°	109.2°
C3	C2	H4	109.0°	109.4°
C3	C2	H5	109.1°	109.4°
C2	C3	H6	108.5°	109.5°
C2	C3	H7	108.5°	109.5°
C3	C4	C5	110.2°	109.3°
C3	C4	C13	109.5°	109.3°
C3	C4	O1	108.6°	109.7°
C4	C3	H6	108.5°	109.5°
C4	C3	H7	108.5°	109.5°
C4	C5	C6	112.3°	107.2°
C5	C4	C13	113.8°	109.3°
C5	C4	O1	109.7°	109.4°
C4	C5	H8	108.7°	109.9°
C4	C5	H9	108.7°	109.9°
C5	C6	C7	116.1°	116.7°
C5	C6	O2	121.6°	121.7°
C6	C5	H8	108.8°	109.9°
C6	C5	H9	108.8°	110.0°
C6	C7	C8	121.0°	120.4°
C6	C7	C12	119.8°	118.9°
C7	C6	O2	122.0°	121.6°
C7	C8	C9	120.4°	120.7°
C8	C7	C12	119.1°	120.7°
C7	C8	H10	119.8°	119.6°
C8	C9	C10	121.5°	120.2°
C9	C8	H10	119.8°	119.6°
C8	C9	H11	119.2°	119.9°
C9	C10	C11	119.3°	119.9°
C9	C10	C15	122.6°	120.9°
C10	C9	H11	119.2°	119.9°
C10	C11	C12	118.4°	119.6°
C11	C10	C15	118.1°	119.3°
C10	C11	C18	119.8°	119.5°
C7	C12	O1	122.4°	121.1°
C7	C12	C11	121.2°	118.9°
C12	O1	C4	118.7°	118.9°
O1	C12	C11	116.3°	120.0°
C4	C13	C14	111.4°	109.3°
C13	C4	O1	104.7°	109.8°
C4	C13	H12	109.0°	109.5°
C4	C13	H13	109.0°	109.5°
C13	C14	N1	110.3°	109.5°
C14	C13	H12	109.0°	109.5°
C14	C13	H13	109.0°	109.5°
C13	C14	H14	109.3°	109.5°
C13	C14	H15	109.3°	109.5°
N1	C14	H14	109.3°	109.4°
N1	C14	H15	109.3°	109.5°
C12	C11	C18	121.9°	121.0°
C10	C15	C16	121.2°	119.7°
C10	C15	H16	119.4°	120.2°
C15	C16	C17	120.5°	121.0°
C16	C15	H16	119.4°	120.1°
C15	C16	H17	119.8°	119.5°
C16	C17	C18	120.5°	120.9°
C16	C17	H18	119.8°	119.5°
C17	C16	H17	119.7°	119.5°
C17	C18	C11	120.0°	119.7°
C18	C17	H18	119.7°	119.6°
C17	C18	H19	120.0°	120.2°
C11	C18	H19	120.0°	120.2°
H8	C5	H9	109.5°	109.9°
H12	C13	H13	109.5°	109.5°
H1	C1	H2	109.5°	109.5°
H1	C1	H3	109.5°	109.4°
H2	C1	H3	109.5°	109.5°
H14	C14	H15	109.4°	109.4°
H4	C2	H5	109.5°	109.5°
H6	C3	H7	109.4°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	C2	C14	122.4°	124.1°
C1	N1	C2	C3	176.7°	174.1°
C1	N1	C14	C13	173.7°	174.1°
N1	C1	H1	H2	120.0°	120.1°
N1	C1	H1	H3	120.0°	120.0°
N1	C1	H2	H3	120.0°	120.0°
C1	N1	C14	H14	66.1°	54.1°
C1	N1	C14	H15	53.6°	65.8°
C1	N1	C2	H4	63.1°	65.9°
C1	N1	C2	H5	56.4°	54.2°
N1	C2	C3	H4	120.2°	120.0°
N1	C2	C3	H5	120.3°	120.0°
N1	C2	C3	C4	53.9°	59.1°
C2	N1	C14	C13	64.4°	61.8°
C2	N1	C1	H1	180.0°	59.9°
C2	N1	C1	H2	60.0°	180.0°
C2	N1	C1	H3	60.0°	60.0°
C2	N1	C14	H14	55.8°	178.2°
C2	N1	C14	H15	175.5°	58.3°
N1	C2	H4	H5	119.3°	120.0°
N1	C2	C3	H6	174.5°	60.8°
N1	C2	C3	H7	66.7°	179.0°
C2	C3	C4	H6	120.6°	119.9°
C2	C3	C4	H7	120.6°	119.9°
C2	C3	C4	C5	173.8°	177.2°
C2	C3	C4	C13	47.8°	57.5°
C3	C2	N1	C14	60.9°	61.8°
C2	C3	C4	O1	66.0°	62.9°
C3	C2	H4	H5	119.2°	119.9°
C2	C3	H6	H7	118.2°	120.2°
C3	C4	C5	C13	123.5°	119.6°
C3	C4	C5	O1	119.5°	120.2°
C3	C4	C5	C6	68.2°	178.3°
C3	C4	O1	C12	74.8°	172.1°
C3	C4	C13	O1	116.3°	120.4°
C3	C4	C13	C14	50.4°	57.6°
C3	C4	C5	H8	52.3°	58.9°
C3	C4	C5	H9	171.4°	62.3°
C3	C4	C13	H12	170.7°	177.5°
C3	C4	C13	H13	69.9°	62.4°
C4	C3	C2	H4	66.3°	60.9°
C4	C3	C2	H5	174.2°	179.1°
C4	C3	H6	H7	118.2°	120.1°
C4	C5	C6	H8	120.4°	119.4°
C4	C5	C6	H9	120.4°	119.4°
C4	C5	C6	C7	32.6°	39.9°
C5	C4	O1	C12	45.8°	52.2°
C4	C5	C6	O2	153.3°	140.1°
C5	C4	C13	O1	119.8°	120.0°
C5	C4	C13	C14	174.3°	177.2°
C4	C5	H8	H9	118.7°	121.1°
C5	C4	C13	H12	65.4°	62.9°
C5	C4	C13	H13	54.0°	57.2°
C5	C4	C3	H6	65.6°	57.3°
C5	C4	C3	H7	53.2°	62.9°
C5	C6	C7	O2	174.1°	179.9°
C5	C6	C7	C8	172.5°	167.8°
C5	C6	C7	C12	5.1°	12.3°
C6	C5	C4	C13	168.3°	62.1°
C6	C5	C4	O1	51.3°	58.1°
C6	C5	H8	H9	118.7°	121.2°
C6	C7	C8	C12	177.5°	179.9°
C6	C7	C8	C9	178.4°	179.7°
C6	C7	C12	O1	3.1°	0.9°
C6	C7	C12	C11	178.1°	179.4°
C7	C6	C5	H8	153.0°	79.5°
C7	C6	C5	H9	87.8°	159.3°
C6	C7	C8	H10	1.6°	0.4°
C7	C8	C9	H10	180.0°	180.0°
C7	C8	C9	C10	0.8°	0.1°
C8	C7	C12	O1	179.3°	179.1°
C8	C7	C6	O2	1.6°	12.1°
C8	C7	C12	C11	0.6°	0.5°
C7	C8	C9	H11	179.3°	179.9°
C8	C9	C10	H11	180.0°	180.0°
C8	C9	C10	C11	0.4°	0.1°
C9	C8	C7	C12	0.8°	0.2°
C8	C9	C10	C15	179.9°	179.9°
C9	C10	C11	C15	179.5°	180.0°
C9	C10	C11	C12	0.2°	0.1°
C9	C10	C15	C16	180.0°	180.0°
C9	C10	C11	C18	179.7°	179.9°
C10	C9	C8	H10	179.2°	180.0°
C9	C10	C15	H16	0.1°	0.1°
C10	C11	C12	C7	0.3°	0.4°
C10	C11	C12	O1	179.1°	179.2°
C10	C11	C12	C18	179.9°	179.9°
C11	C10	C15	C16	0.5°	0.0°
C10	C11	C18	C17	0.2°	0.0°
C11	C10	C15	H16	179.4°	179.9°
C10	C11	C18	H19	179.8°	180.0°
C11	C10	C9	H11	179.6°	179.9°
C7	C12	O1	C11	178.8°	179.6°
C12	C7	C6	O2	179.2°	167.8°
C7	C12	O1	C4	18.9°	22.4°
C7	C12	C11	C18	179.6°	179.7°
C12	C7	C8	H10	179.2°	179.7°
C12	O1	C4	C13	168.3°	67.8°
O1	C12	C11	C18	0.8°	0.7°
O2	C6	C5	H8	32.9°	100.5°
O2	C6	C5	H9	86.3°	20.7°
C4	C13	C14	H12	120.3°	119.9°
C4	C13	C14	H13	120.3°	120.0°
C4	C13	C14	N1	60.1°	59.1°
C13	C4	C5	H8	71.3°	178.5°
C13	C4	C5	H9	47.9°	57.4°
C4	C13	H12	H13	119.1°	120.1°
C4	C13	C14	H14	60.1°	179.1°
C4	C13	C14	H15	179.8°	60.9°
C13	C4	C3	H6	168.4°	62.3°
C13	C4	C3	H7	72.8°	177.5°
C13	C14	N1	H14	120.1°	120.0°
C13	C14	N1	H15	120.1°	120.1°
C14	C13	C4	O1	65.9°	62.8°
C14	C13	H12	H13	119.1°	120.1°
C13	C14	H14	H15	119.6°	120.1°
N1	C14	C13	H12	179.6°	179.0°
N1	C14	C13	H13	60.2°	60.9°
C14	N1	C1	H1	59.0°	64.3°
C14	N1	C1	H2	179.0°	55.8°
C14	N1	C1	H3	61.0°	175.8°
N1	C14	H14	H15	119.7°	119.9°
C14	N1	C2	H4	59.3°	58.2°
C14	N1	C2	H5	178.8°	178.2°
C4	O1	C12	C11	159.9°	158.0°
O1	C4	C5	H8	171.8°	61.3°
O1	C4	C5	H9	69.1°	177.6°
O1	C4	C13	H12	54.4°	57.1°
O1	C4	C13	H13	173.8°	177.2°
O1	C4	C3	H6	54.6°	177.2°
O1	C4	C3	H7	173.4°	57.1°
C12	C11	C10	C15	179.7°	179.9°
C12	C11	C18	C17	180.0°	179.9°
C12	C11	C18	H19	0.0°	0.1°
C10	C15	C16	H16	180.0°	179.9°
C10	C15	C16	C17	0.5°	0.1°
C15	C10	C11	C18	0.2°	0.0°
C10	C15	C16	H17	179.4°	179.9°
C15	C10	C9	H11	0.1°	0.1°
C15	C16	C17	H17	180.0°	180.0°
C15	C16	C17	C18	0.2°	0.1°
C15	C16	C17	H18	179.8°	180.0°
C16	C17	C18	H18	180.0°	179.9°
C16	C17	C18	C11	0.2°	0.0°
C17	C16	C15	H16	179.4°	180.0°
C16	C17	C18	H19	179.8°	179.9°
C17	C18	C11	H19	180.0°	180.0°
C18	C17	C16	H17	179.8°	179.9°
C11	C18	C17	H18	179.8°	180.0°
H10	C8	C9	H11	0.7°	0.0°
H12	C13	C14	H14	60.2°	61.0°
H12	C13	C14	H15	59.5°	59.0°
H13	C13	C14	H14	179.7°	59.1°
H13	C13	C14	H15	60.0°	179.1°
H16	C15	C16	H17	0.6°	0.0°
H18	C17	C16	H17	0.2°	0.1°
H18	C17	C18	H19	0.1°	0.0°
H1	C1	H2	H3	120.0°	119.9°
H4	C2	C3	H6	54.3°	179.2°
H4	C2	C3	H7	173.1°	59.0°
H5	C2	C3	H6	65.2°	59.2°
H5	C2	C3	H7	53.6°	61.0°

Release date:	2026-01-21
Definition date:	2025-08-01
Last modified:	2026-01-16
Release status:	REL
Processing site:	RCSB
Derived from:	9PUJ