A1CL9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	O	doub	1.21Å	1.22Å
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	1.51Å
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	1.37Å	Aromatic
C8	C9	doub	1.40Å	1.42Å	Aromatic
C9	N	sing	1.34Å	1.37Å	Aromatic
N	C10	doub	1.31Å	1.32Å	Aromatic
C10	C11	sing	1.39Å	1.39Å	Aromatic
C11	C12	doub	1.37Å	1.36Å	Aromatic
C9	C13	sing	1.42Å	1.41Å	Aromatic
C12	C13	sing	1.41Å	1.41Å	Aromatic
C13	C14	doub	1.40Å	1.41Å	Aromatic
C14	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
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
C14	H14	sing	1.08Å	1.08Å
C12	H13	sing	1.08Å	1.08Å
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	123.6°	120.0°
O1	C	C1	113.1°	120.0°
C	O1	H2	109.5°	117.0°
C	C1	C2	112.3°	110.5°
C	C1	C5	113.4°	110.5°
C	C1	H	109.3°	110.4°
C1	C2	C3	105.5°	102.8°
C2	C1	C5	103.9°	104.2°
C2	C1	H	108.9°	110.6°
C1	C2	H3	110.5°	110.7°
C1	C2	H4	110.5°	110.8°
C2	C3	C4	106.1°	104.2°
C2	C3	H5	110.3°	110.4°
C2	C3	H6	110.3°	110.7°
C3	C2	H3	110.5°	110.7°
C3	C2	H4	110.5°	110.8°
C3	C4	C5	104.8°	106.6°
C3	C4	H7	110.6°	110.0°
C3	C4	H8	110.6°	110.1°
C4	C3	H5	110.3°	110.5°
C4	C3	H6	110.3°	110.5°
C4	C5	C1	100.8°	106.6°
C4	C5	C6	116.3°	110.0°
C5	C4	H7	110.6°	110.0°
C5	C4	H8	110.6°	110.0°
C4	C5	H1	107.6°	110.0°
C1	C5	C6	116.3°	110.1°
C1	C5	H1	107.5°	110.0°
C5	C1	H	108.9°	110.5°
C5	C6	C7	121.8°	119.5°
C5	C6	C14	118.8°	119.5°
C6	C5	H1	107.9°	110.1°
C6	C7	C8	121.3°	121.0°
C7	C6	C14	119.2°	120.9°
C6	C7	H9	119.4°	119.5°
C7	C8	C9	120.4°	119.8°
C8	C7	H9	119.4°	119.5°
C7	C8	H10	119.8°	120.0°
C8	C9	N	119.3°	121.1°
C8	C9	C13	118.9°	119.1°
C9	C8	H10	119.8°	120.2°
C9	N	C10	117.5°	121.3°
N	C9	C13	121.8°	119.8°
N	C10	C11	124.4°	121.7°
N	C10	H11	117.8°	119.2°
C10	C11	C12	118.6°	119.9°
C11	C10	H11	117.8°	119.1°
C10	C11	H12	120.7°	120.0°
C11	C12	C13	119.8°	118.1°
C11	C12	H13	120.1°	120.9°
C12	C11	H12	120.7°	120.0°
C9	C13	C12	117.8°	119.0°
C9	C13	C14	118.7°	119.6°
C12	C13	C14	123.5°	121.3°
C13	C12	H13	120.1°	121.0°
C13	C14	C6	121.5°	119.6°
C13	C14	H14	119.2°	120.2°
C6	C14	H14	119.2°	120.2°
H7	C4	H8	109.5°	110.1°
H5	C3	H6	109.5°	110.4°
H3	C2	H4	109.5°	110.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	O1	C1	179.5°	180.0°
O	C	C1	C2	113.9°	114.8°
O	C	C1	C5	128.8°	0.0°
O	C	O1	H2	0.0°	0.0°
O	C	C1	H	7.1°	122.5°
O1	C	C1	C2	65.7°	65.1°
O1	C	C1	C5	51.7°	180.0°
O1	C	C1	H	173.3°	57.5°
C	C1	C2	C5	122.9°	118.7°
C	C1	C2	H	121.2°	122.5°
C	C1	C2	C3	147.6°	156.6°
C	C1	C5	C4	162.9°	142.3°
C	C1	C5	H	121.9°	122.5°
C	C1	C5	C6	70.5°	98.4°
C	C1	C5	H1	50.4°	23.1°
C1	C	O1	H2	179.5°	180.0°
C	C1	C2	H3	28.2°	38.4°
C	C1	C2	H4	93.0°	85.0°
C1	C2	C3	H3	119.4°	118.3°
C1	C2	C3	H4	119.4°	118.4°
C1	C2	C3	C4	1.4°	37.9°
C2	C1	C5	C4	40.8°	23.6°
C2	C1	C5	H	116.0°	118.8°
C2	C1	C5	C6	167.4°	142.8°
C2	C1	C5	H1	71.7°	95.7°
C1	C2	C3	H5	118.0°	80.7°
C1	C2	C3	H6	120.9°	156.7°
C1	C2	H3	H4	121.8°	123.4°
C2	C3	C4	H5	119.5°	118.6°
C2	C3	C4	H6	119.5°	118.9°
C2	C3	C4	C5	27.4°	23.6°
C3	C2	C1	C5	24.7°	37.9°
C2	C3	C4	H7	146.6°	142.8°
C2	C3	C4	H8	91.9°	95.7°
C3	C2	C1	H	91.2°	80.8°
C2	C3	H5	H6	121.6°	122.7°
C3	C2	H3	H4	121.9°	123.3°
C3	C4	C5	H7	119.3°	119.3°
C3	C4	C5	H8	119.2°	119.3°
C3	C4	C5	C1	42.2°	0.0°
C3	C4	C5	C6	168.8°	119.3°
C3	C4	H7	H8	122.2°	121.5°
C3	C4	C5	H1	70.2°	119.3°
C4	C3	H5	H6	121.5°	122.5°
C4	C3	C2	H3	120.8°	80.4°
C4	C3	C2	H4	117.9°	156.3°
C4	C5	C1	C6	126.6°	119.3°
C4	C5	C1	H1	112.5°	119.2°
C4	C5	C6	H1	120.9°	121.4°
C4	C5	C6	C7	43.1°	58.6°
C4	C5	C6	C14	131.4°	121.8°
C5	C4	H7	H8	122.2°	121.4°
C4	C5	C1	H	75.2°	95.2°
C5	C4	C3	H5	92.1°	95.0°
C5	C4	C3	H6	146.9°	142.5°
C1	C5	C6	H1	120.7°	121.5°
C1	C5	C6	C7	75.3°	58.6°
C1	C5	C6	C14	110.2°	121.1°
C1	C5	C4	H7	161.5°	119.3°
C1	C5	C4	H8	77.0°	119.3°
C5	C1	C2	H3	94.7°	80.4°
C5	C1	C2	H4	144.1°	156.3°
C5	C6	C7	C14	174.4°	179.7°
C5	C6	C7	C8	173.4°	179.9°
C5	C6	C14	C13	173.4°	180.0°
C6	C5	C4	H7	72.0°	0.0°
C6	C5	C4	H8	49.5°	121.4°
C5	C6	C7	H9	6.6°	0.1°
C6	C5	C1	H	51.4°	24.0°
C5	C6	C14	H14	6.6°	0.0°
C6	C7	C8	H9	180.0°	180.0°
C6	C7	C8	C9	1.2°	0.1°
C7	C6	C14	C13	1.2°	0.3°
C7	C6	C5	H1	164.0°	180.0°
C6	C7	C8	H10	178.8°	180.0°
C7	C6	C14	H14	178.8°	179.7°
C7	C8	C9	H10	180.0°	179.9°
C7	C8	C9	N	177.4°	180.0°
C7	C8	C9	C13	1.5°	0.3°
C8	C7	C6	C14	1.0°	0.3°
C8	C9	N	C13	178.8°	179.7°
C8	C9	N	C10	179.6°	180.0°
C8	C9	C13	C12	178.9°	179.7°
C8	C9	C13	C14	1.6°	0.3°
C9	C8	C7	H9	178.8°	179.9°
C9	N	C10	C11	1.0°	0.1°
N	C9	C13	C12	2.2°	0.0°
N	C9	C13	C14	177.2°	179.9°
N	C9	C8	H10	2.6°	0.1°
C9	N	C10	H11	178.9°	179.9°
N	C10	C11	H11	180.0°	180.0°
N	C10	C11	C12	1.4°	0.5°
C10	N	C9	C13	0.8°	0.3°
N	C10	C11	H12	178.6°	180.0°
C10	C11	C12	H12	180.0°	179.5°
C10	C11	C12	C13	0.2°	0.8°
C10	C11	C12	H13	179.8°	179.8°
C11	C12	C13	C9	1.9°	0.5°
C11	C12	C13	H13	180.0°	179.4°
C11	C12	C13	C14	177.5°	179.5°
C12	C11	C10	H11	178.6°	179.5°
C9	C13	C12	C14	179.4°	179.9°
C9	C13	C14	C6	1.5°	0.0°
C13	C9	C8	H10	178.5°	179.8°
C9	C13	C14	H14	178.5°	180.0°
C9	C13	C12	H13	178.1°	180.0°
C12	C13	C14	C6	179.1°	180.0°
C12	C13	C14	H14	0.9°	0.0°
C13	C12	C11	H12	179.8°	179.7°
C13	C14	C6	H14	180.0°	180.0°
C14	C13	C12	H13	2.5°	0.1°
C14	C6	C5	H1	10.5°	0.4°
C14	C6	C7	H9	179.0°	179.8°
H7	C4	C5	H1	49.1°	121.5°
H7	C4	C3	H5	27.2°	24.2°
H7	C4	C3	H6	93.9°	98.3°
H8	C4	C5	H1	170.6°	0.1°
H8	C4	C3	H5	148.7°	145.7°
H8	C4	C3	H6	27.6°	23.2°
H1	C5	C1	H	172.3°	145.5°
H9	C7	C8	H10	1.2°	0.0°
H11	C10	C11	H12	1.4°	0.0°
H	C1	C2	H3	149.4°	160.9°
H	C1	C2	H4	28.2°	37.5°
H5	C3	C2	H3	1.4°	161.0°
H5	C3	C2	H4	122.6°	37.7°
H6	C3	C2	H3	119.7°	38.4°
H6	C3	C2	H4	1.6°	84.9°
H13	C12	C11	H12	0.2°	0.3°

Release date:	2025-08-13
Definition date:	2025-08-05
Last modified:	2025-08-08
Release status:	REL
Processing site:	RCSB
Derived from:	7IK3