A1CL5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	O	doub	1.21Å	1.21Å
O1	C	sing	1.34Å	1.31Å
C1	C	sing	1.51Å	1.51Å
C1	C2	sing	1.55Å	1.55Å
C2	C3	sing	1.55Å	1.55Å
C3	C4	sing	1.54Å	1.52Å
C4	C5	sing	1.54Å	1.54Å
C5	C1	sing	1.54Å	1.55Å
C6	C5	sing	1.51Å	1.52Å
C6	C7	doub	1.39Å	1.40Å	Aromatic
C7	C8	sing	1.36Å	1.36Å	Aromatic
C8	C9	doub	1.41Å	1.41Å	Aromatic
C9	N	sing	1.34Å	1.37Å	Aromatic
N	C10	doub	1.31Å	1.32Å	Aromatic
C10	C11	sing	1.40Å	1.39Å	Aromatic
C11	N1	doub	1.31Å	1.32Å	Aromatic
C9	C12	sing	1.42Å	1.41Å	Aromatic
N1	C12	sing	1.34Å	1.37Å	Aromatic
C12	C13	doub	1.40Å	1.41Å	Aromatic
C13	C6	sing	1.36Å	1.37Å	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
C13	H13	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
C11	H12	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	O1	123.3°	120.0°
O	C	C1	121.8°	120.0°
O1	C	C1	114.9°	120.0°
C	O1	H2	109.5°	117.0°
C	C1	C2	110.8°	110.5°
C	C1	C5	111.5°	110.5°
C	C1	H	110.9°	110.5°
C1	C2	C3	106.0°	102.7°
C2	C1	C5	102.7°	104.2°
C2	C1	H	110.3°	110.6°
C1	C2	H3	110.4°	110.7°
C1	C2	H4	110.3°	110.8°
C2	C3	C4	106.8°	104.2°
C2	C3	H5	110.1°	110.5°
C2	C3	H6	110.1°	110.6°
C3	C2	H3	110.3°	110.7°
C3	C2	H4	110.4°	110.7°
C3	C4	C5	104.7°	106.6°
C3	C4	H7	110.6°	110.1°
C3	C4	H8	110.6°	110.1°
C4	C3	H5	110.2°	110.5°
C4	C3	H6	110.1°	110.5°
C4	C5	C1	103.3°	106.6°
C4	C5	C6	117.1°	110.0°
C5	C4	H7	110.6°	110.0°
C5	C4	H8	110.7°	110.0°
C4	C5	H1	106.5°	110.0°
C1	C5	C6	115.9°	110.0°
C1	C5	H1	106.5°	110.0°
C5	C1	H	110.4°	110.5°
C5	C6	C7	119.1°	119.5°
C5	C6	C13	121.7°	119.6°
C6	C5	H1	106.8°	110.1°
C6	C7	C8	121.6°	121.0°
C7	C6	C13	119.2°	120.9°
C6	C7	H9	119.2°	119.6°
C7	C8	C9	120.3°	119.7°
C8	C7	H9	119.2°	119.5°
C7	C8	H10	119.8°	120.1°
C8	C9	N	120.2°	121.1°
C8	C9	C12	118.9°	119.3°
C9	C8	H10	119.9°	120.2°
C9	N	C10	116.4°	119.7°
N	C9	C12	120.9°	119.6°
N	C10	C11	122.6°	120.7°
N	C10	H11	118.7°	119.7°
C10	C11	N1	122.7°	120.7°
C11	C10	H11	118.7°	119.7°
C10	C11	H12	118.6°	119.7°
C11	N1	C12	116.4°	119.7°
N1	C11	H12	118.6°	119.6°
C9	C12	N1	121.0°	119.5°
C9	C12	C13	119.5°	119.3°
N1	C12	C13	119.5°	121.2°
C12	C13	C6	120.6°	119.8°
C12	C13	H13	119.7°	120.1°
C6	C13	H13	119.7°	120.1°
H7	C4	H8	109.5°	110.0°
H5	C3	H6	109.5°	110.4°
H3	C2	H4	109.4°	110.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	O1	C1	179.9°	180.0°
O	C	C1	C2	67.2°	114.8°
O	C	C1	C5	46.5°	0.0°
O	C	O1	H2	0.0°	0.0°
O	C	C1	H	169.9°	122.5°
O1	C	C1	C2	112.9°	65.2°
O1	C	C1	C5	133.4°	180.0°
O1	C	C1	H	9.9°	57.5°
C	C1	C2	C5	119.1°	118.7°
C	C1	C2	H	123.2°	122.6°
C	C1	C2	C3	146.4°	156.6°
C	C1	C5	C4	158.5°	142.3°
C	C1	C5	H	123.7°	122.5°
C	C1	C5	C6	72.1°	98.4°
C	C1	C5	H1	46.5°	23.0°
C1	C	O1	H2	179.9°	180.0°
C	C1	C2	H3	26.9°	38.3°
C	C1	C2	H4	94.2°	85.1°
C1	C2	C3	H3	119.5°	118.3°
C1	C2	C3	H4	119.5°	118.3°
C1	C2	C3	C4	4.3°	37.9°
C2	C1	C5	C4	39.9°	23.6°
C2	C1	C5	H	117.6°	118.8°
C2	C1	C5	C6	169.3°	142.9°
C2	C1	C5	H1	72.2°	95.6°
C1	C2	C3	H5	123.9°	80.8°
C1	C2	C3	H6	115.2°	156.7°
C1	C2	H3	H4	121.6°	123.4°
C2	C3	C4	H5	119.6°	118.7°
C2	C3	C4	H6	119.6°	118.8°
C2	C3	C4	C5	20.5°	23.6°
C3	C2	C1	C5	27.2°	37.9°
C2	C3	C4	H7	139.8°	142.9°
C2	C3	C4	H8	98.7°	95.7°
C3	C2	C1	H	90.4°	80.8°
C2	C3	H5	H6	121.2°	122.7°
C3	C2	H3	H4	121.6°	123.3°
C3	C4	C5	H7	119.2°	119.3°
C3	C4	C5	H8	119.2°	119.3°
C3	C4	C5	C1	37.7°	0.0°
C3	C4	C5	C6	166.4°	119.3°
C3	C4	H7	H8	122.2°	121.4°
C3	C4	C5	H1	74.2°	119.3°
C4	C3	H5	H6	121.2°	122.5°
C4	C3	C2	H3	115.1°	80.3°
C4	C3	C2	H4	123.8°	156.3°
C4	C5	C1	C6	129.4°	119.3°
C4	C5	C1	H1	112.0°	119.2°
C4	C5	C6	H1	119.2°	121.4°
C4	C5	C6	C7	137.6°	58.5°
C4	C5	C6	C13	41.3°	121.5°
C5	C4	H7	H8	122.2°	121.4°
C4	C5	C1	H	77.8°	95.2°
C5	C4	C3	H5	99.1°	95.1°
C5	C4	C3	H6	140.1°	142.4°
C1	C5	C6	H1	118.4°	121.4°
C1	C5	C6	C7	100.0°	58.6°
C1	C5	C6	C13	81.1°	121.4°
C1	C5	C4	H7	157.0°	119.3°
C1	C5	C4	H8	81.5°	119.3°
C5	C1	C2	H3	92.2°	80.3°
C5	C1	C2	H4	146.7°	156.2°
C5	C6	C7	C13	178.9°	180.0°
C5	C6	C7	C8	178.5°	180.0°
C5	C6	C13	C12	178.3°	180.0°
C6	C5	C4	H7	74.3°	0.0°
C6	C5	C4	H8	47.2°	121.4°
C5	C6	C7	H9	1.5°	0.0°
C5	C6	C13	H13	1.7°	0.0°
C6	C5	C1	H	51.7°	24.1°
C6	C7	C8	H9	180.0°	180.0°
C6	C7	C8	C9	0.7°	0.0°
C7	C6	C13	C12	0.6°	0.0°
C7	C6	C5	H1	18.4°	179.9°
C6	C7	C8	H10	179.4°	180.0°
C7	C6	C13	H13	179.4°	180.0°
C7	C8	C9	H10	180.0°	180.0°
C7	C8	C9	N	177.9°	179.9°
C7	C8	C9	C12	1.1°	0.0°
C8	C7	C6	C13	0.4°	0.0°
C8	C9	N	C12	179.0°	179.9°
C8	C9	N	C10	179.9°	179.9°
C8	C9	C12	N1	179.4°	180.0°
C8	C9	C12	C13	1.3°	0.1°
C9	C8	C7	H9	179.4°	180.0°
C9	N	C10	C11	0.8°	0.1°
N	C9	C12	N1	0.4°	0.1°
N	C9	C12	C13	177.7°	180.0°
N	C9	C8	H10	2.1°	0.1°
C9	N	C10	H11	179.2°	179.9°
N	C10	C11	H11	180.0°	179.9°
N	C10	C11	N1	0.1°	0.0°
C10	N	C9	C12	0.9°	0.2°
N	C10	C11	H12	179.9°	180.0°
C10	C11	N1	H12	180.0°	180.0°
C10	C11	N1	C12	0.5°	0.0°
C11	N1	C12	C9	0.3°	0.0°
C11	N1	C12	C13	178.4°	179.9°
N1	C11	C10	H11	179.9°	180.0°
C9	C12	N1	C13	178.1°	180.0°
C9	C12	C13	C6	1.0°	0.1°
C12	C9	C8	H10	178.9°	180.0°
C9	C12	C13	H13	179.0°	180.0°
N1	C12	C13	C6	179.2°	180.0°
N1	C12	C13	H13	0.8°	0.1°
C12	N1	C11	H12	179.5°	180.0°
C12	C13	C6	H13	180.0°	179.9°
C13	C6	C5	H1	160.5°	0.1°
C13	C6	C7	H9	179.6°	180.0°
H7	C4	C5	H1	45.0°	121.4°
H7	C4	C3	H5	20.2°	24.2°
H7	C4	C3	H6	100.6°	98.3°
H8	C4	C5	H1	166.5°	0.1°
H8	C4	C3	H5	141.7°	145.6°
H8	C4	C3	H6	20.9°	23.1°
H1	C5	C1	H	170.2°	145.6°
H9	C7	C8	H10	0.6°	0.0°
H11	C10	C11	H12	0.1°	0.0°
H	C1	C2	H3	150.1°	160.9°
H	C1	C2	H4	29.1°	37.5°
H5	C3	C2	H3	4.5°	161.0°
H5	C3	C2	H4	116.6°	37.6°
H6	C3	C2	H3	125.3°	38.4°
H6	C3	C2	H4	4.2°	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:	7IK0