A1CLU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	O	doub	1.21Å	1.17Å
O1	C	sing	1.34Å	1.27Å
C1	C	sing	1.51Å	1.51Å
C1	C2	sing	1.54Å	1.56Å
C2	C3	sing	1.55Å	1.50Å
C3	C4	sing	1.55Å	1.51Å
C4	C5	sing	1.54Å	1.54Å
C5	C1	sing	1.54Å	1.57Å
C6	C5	sing	1.51Å	1.53Å
C6	C7	doub	1.39Å	1.40Å	Aromatic
C7	C8	sing	1.38Å	1.38Å	Aromatic
C8	C9	doub	1.39Å	1.37Å	Aromatic
C9	O2	sing	1.35Å	1.38Å	Aromatic
O2	C10	sing	1.34Å	1.42Å	Aromatic
C10	N	doub	1.30Å	1.28Å	Aromatic
N	C11	sing	1.36Å	1.39Å	Aromatic
C9	C11	sing	1.40Å	1.38Å	Aromatic
C11	C12	doub	1.40Å	1.40Å	Aromatic
C12	C6	sing	1.38Å	1.40Å	Aromatic
C4	H7	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C5	H1	sing	1.09Å	1.10Å
C7	H9	sing	1.08Å	1.08Å
C8	H10	sing	1.08Å	1.08Å
C10	H11	sing	1.08Å	1.08Å
O1	H2	sing	0.97Å	0.95Å
C1	H	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C12	H12	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	O1	122.0°	120.0°
O	C	C1	121.1°	120.0°
O1	C	C1	116.9°	120.0°
C	O1	H2	109.5°	117.0°
C	C1	C2	108.8°	110.1°
C	C1	C5	117.2°	110.0°
C	C1	H	108.8°	110.0°
C1	C2	C3	106.1°	104.2°
C2	C1	C5	105.4°	106.6°
C2	C1	H	108.2°	110.1°
C1	C2	H3	110.3°	110.5°
C1	C2	H4	110.3°	110.5°
C2	C3	C4	102.5°	102.7°
C2	C3	H5	111.2°	110.7°
C2	C3	H6	111.2°	110.9°
C3	C2	H3	110.3°	110.5°
C3	C2	H4	110.3°	110.5°
C3	C4	C5	105.0°	104.2°
C3	C4	H7	110.6°	110.5°
C3	C4	H8	110.6°	110.6°
C4	C3	H5	111.2°	110.8°
C4	C3	H6	111.2°	110.8°
C4	C5	C1	102.9°	106.6°
C4	C5	C6	112.9°	110.0°
C5	C4	H7	110.6°	110.5°
C5	C4	H8	110.6°	110.5°
C4	C5	H1	108.1°	110.0°
C1	C5	C6	116.5°	110.0°
C1	C5	H1	107.8°	110.1°
C5	C1	H	108.1°	110.0°
C5	C6	C7	119.4°	119.8°
C5	C6	C12	120.9°	119.8°
C6	C5	H1	108.2°	110.0°
C6	C7	C8	121.9°	120.5°
C7	C6	C12	119.6°	120.4°
C6	C7	H9	119.1°	119.8°
C7	C8	C9	117.0°	119.8°
C8	C7	H9	119.1°	119.7°
C7	C8	H10	121.5°	120.1°
C8	C9	O2	127.3°	133.9°
C8	C9	C11	123.5°	119.8°
C9	C8	H10	121.5°	120.0°
C9	O2	C10	101.9°	108.1°
O2	C9	C11	109.1°	106.2°
O2	C10	N	115.0°	110.3°
O2	C10	H11	122.5°	124.9°
C10	N	C11	105.1°	108.8°
N	C10	H11	122.5°	124.8°
N	C11	C9	108.8°	106.5°
N	C11	C12	131.9°	133.8°
C9	C11	C12	119.3°	119.7°
C11	C12	C6	118.6°	119.7°
C11	C12	H12	120.7°	120.2°
C6	C12	H12	120.7°	120.1°
H7	C4	H8	109.5°	110.4°
H5	C3	H6	109.5°	110.7°
H3	C2	H4	109.5°	110.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	O1	C1	179.2°	180.0°
O	C	C1	C2	52.9°	20.4°
O	C	C1	C5	66.4°	96.8°
O	C	O1	H2	0.0°	0.1°
O	C	C1	H	170.6°	141.8°
O1	C	C1	C2	127.9°	159.6°
O1	C	C1	C5	112.8°	83.3°
O1	C	C1	H	10.2°	38.1°
C	C1	C2	C5	126.4°	119.3°
C	C1	C2	H	118.1°	121.4°
C	C1	C2	C3	139.6°	142.9°
C	C1	C5	C4	108.1°	119.3°
C	C1	C5	H	123.3°	121.4°
C	C1	C5	C6	16.0°	0.0°
C	C1	C5	H1	137.8°	121.4°
C1	C	O1	H2	179.2°	180.0°
C	C1	C2	H3	20.2°	24.2°
C	C1	C2	H4	100.9°	98.4°
C1	C2	C3	H3	119.5°	118.7°
C1	C2	C3	H4	119.5°	118.7°
C1	C2	C3	C4	34.6°	37.9°
C2	C1	C5	C4	13.0°	0.0°
C2	C1	C5	H	115.5°	119.3°
C2	C1	C5	C6	137.1°	119.3°
C2	C1	C5	H1	101.1°	119.3°
C1	C2	C3	H5	153.5°	80.4°
C1	C2	C3	H6	84.3°	156.3°
C1	C2	H3	H4	121.6°	122.6°
C2	C3	C4	H5	118.9°	118.3°
C2	C3	C4	H6	118.9°	118.5°
C2	C3	C4	C5	43.6°	37.9°
C3	C2	C1	C5	13.1°	23.6°
C2	C3	C4	H7	75.6°	156.6°
C2	C3	C4	H8	162.9°	80.8°
C3	C2	C1	H	102.3°	95.7°
C2	C3	H5	H6	123.2°	123.5°
C3	C2	H3	H4	121.6°	122.6°
C3	C4	C5	H7	119.3°	118.7°
C3	C4	C5	H8	119.3°	118.8°
C3	C4	C5	C1	34.9°	23.6°
C3	C4	C5	C6	161.3°	142.9°
C3	C4	H7	H8	122.1°	122.6°
C3	C4	C5	H1	79.0°	95.7°
C4	C3	H5	H6	123.2°	123.3°
C4	C3	C2	H3	84.9°	80.8°
C4	C3	C2	H4	154.0°	156.6°
C4	C5	C1	C6	124.1°	119.3°
C4	C5	C1	H1	114.1°	119.3°
C4	C5	C6	H1	119.7°	121.4°
C4	C5	C6	C7	39.8°	47.8°
C4	C5	C6	C12	137.6°	131.9°
C5	C4	H7	H8	122.1°	122.6°
C4	C5	C1	H	128.5°	119.3°
C5	C4	C3	H5	162.5°	80.3°
C5	C4	C3	H6	75.2°	156.4°
C1	C5	C6	H1	121.5°	121.4°
C1	C5	C6	C7	79.0°	69.4°
C1	C5	C6	C12	103.7°	110.9°
C1	C5	C4	H7	84.4°	142.3°
C1	C5	C4	H8	154.2°	95.2°
C5	C1	C2	H3	106.3°	95.1°
C5	C1	C2	H4	132.6°	142.3°
C5	C6	C7	C12	177.4°	179.7°
C5	C6	C7	C8	176.2°	180.0°
C5	C6	C12	C11	175.3°	180.0°
C6	C5	C4	H7	42.0°	98.4°
C6	C5	C4	H8	79.4°	24.1°
C5	C6	C7	H9	3.8°	0.0°
C6	C5	C1	H	107.4°	121.4°
C5	C6	C12	H12	4.7°	0.0°
C6	C7	C8	H9	180.0°	180.0°
C6	C7	C8	C9	0.1°	0.0°
C7	C6	C12	C11	2.0°	0.3°
C7	C6	C5	H1	159.4°	169.2°
C6	C7	C8	H10	179.9°	180.0°
C7	C6	C12	H12	178.0°	179.7°
C7	C8	C9	H10	180.0°	180.0°
C7	C8	C9	O2	179.3°	180.0°
C7	C8	C9	C11	0.1°	0.3°
C8	C7	C6	C12	1.1°	0.3°
C8	C9	O2	C11	179.3°	179.7°
C8	C9	O2	C10	178.7°	179.7°
C8	C9	C11	N	179.2°	179.7°
C8	C9	C11	C12	0.8°	0.3°
C9	C8	C7	H9	179.9°	180.0°
C9	O2	C10	N	2.0°	0.1°
O2	C9	C11	N	1.4°	0.0°
O2	C9	C11	C12	178.6°	179.9°
O2	C9	C8	H10	0.7°	0.0°
C9	O2	C10	H11	178.1°	180.0°
O2	C10	N	H11	180.0°	180.0°
O2	C10	N	C11	1.1°	0.0°
C10	O2	C9	C11	1.9°	0.1°
C10	N	C11	C9	0.2°	0.0°
C10	N	C11	C12	179.8°	180.0°
N	C11	C9	C12	180.0°	180.0°
N	C11	C12	C6	178.2°	180.0°
C11	N	C10	H11	178.9°	180.0°
N	C11	C12	H12	1.8°	0.0°
C9	C11	C12	C6	1.8°	0.0°
C11	C9	C8	H10	179.9°	179.7°
C9	C11	C12	H12	178.2°	180.0°
C11	C12	C6	H12	180.0°	180.0°
C12	C6	C5	H1	17.9°	10.5°
C12	C6	C7	H9	178.9°	179.7°
H7	C4	C5	H1	161.7°	23.0°
H7	C4	C3	H5	43.2°	38.4°
H7	C4	C3	H6	165.5°	84.8°
H8	C4	C5	H1	40.3°	145.5°
H8	C4	C3	H5	78.2°	160.9°
H8	C4	C3	H6	44.1°	37.7°
H1	C5	C1	H	14.4°	0.0°
H9	C7	C8	H10	0.1°	0.0°
H	C1	C2	H3	138.2°	145.6°
H	C1	C2	H4	17.2°	23.0°
H5	C3	C2	H3	34.0°	161.0°
H5	C3	C2	H4	87.1°	38.3°
H6	C3	C2	H3	156.3°	37.6°
H6	C3	C2	H4	35.2°	85.0°

Release date:	2025-08-13
Definition date:	2025-08-05
Last modified:	2025-08-08
Release status:	REL
Processing site:	RCSB
Derived from:	7IJQ