A1CKK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C14	C15	doub	1.38Å	1.40Å	Aromatic
C14	C13	sing	1.38Å	1.41Å	Aromatic
C15	C16	sing	1.38Å	1.40Å	Aromatic
C13	C12	doub	1.38Å	1.40Å	Aromatic
C16	C11	doub	1.38Å	1.41Å	Aromatic
C12	C11	sing	1.38Å	1.41Å	Aromatic
C11	C3	sing	1.51Å	1.53Å
C3	C2	sing	1.53Å	1.55Å
C3	N1	sing	1.46Å	1.46Å
C2	C1	sing	1.51Å	1.54Å
O2	C4	doub	1.22Å	1.23Å
O3	C1	doub	1.21Å	1.25Å
N1	C4	sing	1.35Å	1.35Å
C1	O1	sing	1.34Å	1.25Å
C4	C5	sing	1.48Å	1.51Å
C5	N2	doub	1.33Å	1.36Å	Aromatic
C5	C8	sing	1.40Å	1.42Å	Aromatic
N2	C6	sing	1.32Å	1.33Å	Aromatic
C9	C8	sing	1.46Å	1.44Å	Aromatic
C9	C10	doub	1.35Å	1.37Å	Aromatic
C8	C7	doub	1.42Å	1.42Å	Aromatic
C6	CL1	sing	1.74Å	1.71Å
C6	N3	doub	1.32Å	1.33Å	Aromatic
C10	N4	sing	1.37Å	1.38Å	Aromatic
C7	N3	sing	1.33Å	1.36Å	Aromatic
C7	N4	sing	1.37Å	1.38Å	Aromatic
C3	H3	sing	1.09Å	1.10Å
C9	H5	sing	1.08Å	1.08Å
C12	H8	sing	1.08Å	1.08Å
C14	H10	sing	1.08Å	1.08Å
C10	H6	sing	1.08Å	1.08Å
C13	H9	sing	1.08Å	1.08Å
C15	H11	sing	1.08Å	1.08Å
C16	H12	sing	1.08Å	1.08Å
C2	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
N1	H4	sing	0.97Å	1.00Å
N4	H7	sing	0.97Å	1.00Å
O1	H13	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C15	C14	C13	120.0°	120.0°
C14	C15	C16	119.6°	120.0°
C15	C14	H10	120.0°	120.0°
C14	C15	H11	120.2°	120.0°
C14	C13	C12	120.5°	120.0°
C13	C14	H10	120.0°	120.0°
C14	C13	H9	119.7°	120.0°
C15	C16	C11	121.0°	120.0°
C16	C15	H11	120.2°	120.1°
C15	C16	H12	119.5°	120.0°
C13	C12	C11	119.7°	120.0°
C13	C12	H8	120.2°	120.0°
C12	C13	H9	119.7°	120.0°
C16	C11	C12	119.1°	120.0°
C16	C11	C3	120.0°	120.0°
C11	C16	H12	119.5°	120.0°
C12	C11	C3	120.8°	120.0°
C11	C12	H8	120.1°	120.0°
C11	C3	C2	112.3°	109.5°
C11	C3	N1	115.6°	109.5°
C11	C3	H3	108.3°	109.5°
C2	C3	N1	103.2°	109.5°
C3	C2	C1	115.1°	109.5°
C2	C3	H3	108.0°	109.5°
C3	C2	H1	108.0°	109.4°
C3	C2	H2	108.1°	109.5°
C3	N1	C4	133.6°	120.1°
N1	C3	H3	109.1°	109.4°
C3	N1	H4	113.2°	119.9°
C2	C1	O3	118.5°	120.0°
C2	C1	O1	116.0°	120.0°
C1	C2	H1	108.1°	109.5°
C1	C2	H2	108.1°	109.5°
O2	C4	N1	127.2°	120.0°
O2	C4	C5	122.2°	120.0°
O3	C1	O1	125.5°	120.0°
N1	C4	C5	110.6°	120.1°
C4	N1	H4	113.2°	120.0°
C1	O1	H13	109.5°	116.9°
C4	C5	N2	118.0°	120.8°
C4	C5	C8	124.3°	120.9°
N2	C5	C8	117.7°	118.2°
C5	N2	C6	121.0°	121.1°
C5	C8	C9	137.4°	135.3°
C5	C8	C7	115.3°	118.6°
N2	C6	CL1	115.1°	118.6°
N2	C6	N3	127.9°	122.8°
C8	C9	C10	107.0°	106.9°
C9	C8	C7	107.3°	106.1°
C8	C9	H5	126.5°	126.6°
C9	C10	N4	109.1°	109.9°
C10	C9	H5	126.5°	126.5°
C9	C10	H6	125.4°	125.0°
C8	C7	N3	126.7°	118.5°
C8	C7	N4	106.5°	107.0°
CL1	C6	N3	116.9°	118.6°
C6	N3	C7	111.5°	120.8°
C10	N4	C7	110.1°	110.0°
N4	C10	H6	125.4°	125.1°
C10	N4	H7	124.9°	124.9°
N3	C7	N4	126.9°	134.5°
C7	N4	H7	124.9°	125.0°
H1	C2	H2	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C15	C14	C13	H10	180.0°	179.2°
C14	C15	C16	H11	180.0°	179.1°
C15	C14	C13	C12	0.2°	0.5°
C14	C15	C16	C11	0.1°	0.6°
C15	C14	C13	H9	179.8°	179.4°
C14	C15	C16	H12	179.9°	180.0°
C13	C14	C15	C16	0.1°	0.8°
C14	C13	C12	H9	180.0°	180.0°
C14	C13	C12	C11	0.6°	0.0°
C14	C13	C12	H8	179.4°	179.8°
C13	C14	C15	H11	179.9°	179.9°
C15	C16	C11	H12	180.0°	179.4°
C15	C16	C11	C12	0.3°	0.0°
C15	C16	C11	C3	179.7°	180.0°
C16	C15	C14	H10	179.9°	180.0°
C13	C12	C11	C16	0.6°	0.3°
C13	C12	C11	H8	180.0°	179.7°
C13	C12	C11	C3	180.0°	179.7°
C12	C13	C14	H10	179.8°	179.7°
C16	C11	C12	C3	179.4°	180.0°
C16	C11	C3	C2	2.2°	80.0°
C16	C11	C3	N1	120.2°	40.1°
C16	C11	C3	H3	117.0°	160.0°
C16	C11	C12	H8	179.4°	180.0°
C11	C16	C15	H11	180.0°	179.7°
C12	C11	C3	C2	178.5°	100.0°
C12	C11	C3	N1	60.4°	139.9°
C12	C11	C3	H3	62.4°	20.0°
C11	C12	C13	H9	179.4°	180.0°
C12	C11	C16	H12	179.7°	179.4°
C11	C3	C2	N1	125.2°	120.1°
C11	C3	C2	H3	119.3°	120.0°
C11	C3	N1	H3	122.3°	120.0°
C11	C3	C2	C1	79.4°	174.4°
C11	C3	N1	C4	54.7°	86.0°
C3	C11	C12	H8	0.0°	0.0°
C3	C11	C16	H12	0.3°	0.6°
C11	C3	C2	H1	41.4°	65.6°
C11	C3	C2	H2	159.8°	54.3°
C11	C3	N1	H4	125.3°	94.0°
C2	C3	N1	H3	114.7°	120.0°
C3	C2	C1	H1	120.8°	120.0°
C3	C2	C1	H2	120.8°	120.0°
C3	C2	C1	O3	73.1°	4.0°
C2	C3	N1	C4	177.8°	153.9°
C3	C2	C1	O1	106.5°	175.9°
C3	C2	H1	H2	117.4°	119.9°
C2	C3	N1	H4	2.2°	26.1°
N1	C3	C2	C1	45.8°	65.6°
C3	N1	C4	O2	3.0°	5.1°
C3	N1	C4	H4	180.0°	180.0°
C3	N1	C4	C5	179.3°	175.0°
N1	C3	C2	H1	166.6°	54.4°
N1	C3	C2	H2	75.0°	174.4°
C2	C1	O3	O1	179.5°	180.0°
C1	C2	C3	H3	161.3°	54.4°
C1	C2	H1	H2	117.5°	120.1°
C2	C1	O1	H13	179.5°	180.0°
O2	C4	N1	C5	177.8°	180.0°
O2	C4	C5	N2	162.3°	180.0°
O2	C4	C5	C8	19.0°	0.1°
O2	C4	N1	H4	177.0°	175.0°
O3	C1	C2	H1	47.7°	115.9°
O3	C1	C2	H2	166.0°	124.1°
O3	C1	O1	H13	0.0°	0.0°
N1	C4	C5	N2	19.9°	0.0°
N1	C4	C5	C8	158.9°	180.0°
C4	N1	C3	H3	67.6°	33.9°
O1	C1	C2	H1	132.7°	64.1°
O1	C1	C2	H2	14.4°	55.9°
C4	C5	N2	C8	178.8°	180.0°
C4	C5	N2	C6	179.5°	180.0°
C4	C5	C8	C9	0.9°	0.1°
C4	C5	C8	C7	178.9°	180.0°
C5	C4	N1	H4	0.7°	5.0°
N2	C5	C8	C9	179.6°	180.0°
N2	C5	C8	C7	0.2°	0.0°
C5	N2	C6	CL1	179.4°	179.9°
C5	N2	C6	N3	0.8°	0.0°
C8	C5	N2	C6	0.7°	0.0°
C5	C8	C9	C7	179.8°	180.0°
C5	C8	C9	C10	179.9°	180.0°
C5	C8	C7	N3	0.3°	0.0°
C5	C8	C7	N4	179.7°	180.0°
C5	C8	C9	H5	0.1°	0.0°
N2	C6	CL1	N3	179.8°	179.9°
N2	C6	N3	C7	0.3°	0.0°
C8	C9	C10	H5	180.0°	180.0°
C8	C9	C10	N4	0.3°	0.0°
C9	C8	C7	N3	179.9°	180.0°
C9	C8	C7	N4	0.4°	0.0°
C8	C9	C10	H6	179.8°	180.0°
C10	C9	C8	C7	0.1°	0.0°
C9	C10	N4	H6	180.0°	180.0°
C9	C10	N4	C7	0.5°	0.0°
C9	C10	N4	H7	179.5°	180.0°
C8	C7	N3	C6	0.2°	0.0°
C8	C7	N4	C10	0.6°	0.0°
C8	C7	N3	N4	179.4°	179.9°
C7	C8	C9	H5	179.9°	180.0°
C8	C7	N4	H7	179.4°	180.0°
CL1	C6	N3	C7	179.9°	179.9°
C6	N3	C7	N4	179.6°	179.9°
C10	N4	C7	N3	180.0°	179.9°
C10	N4	C7	H7	180.0°	180.0°
N4	C10	C9	H5	179.7°	180.0°
N3	C7	N4	H7	0.0°	0.0°
C7	N4	C10	H6	179.5°	180.0°
H3	C3	C2	H1	77.9°	174.4°
H3	C3	C2	H2	40.5°	65.7°
H3	C3	N1	H4	112.4°	146.1°
H5	C9	C10	H6	0.2°	0.0°
H8	C12	C13	H9	0.6°	0.3°
H10	C14	C13	H9	0.3°	0.3°
H10	C14	C15	H11	0.1°	0.9°
H6	C10	N4	H7	0.5°	0.0°
H11	C15	C16	H12	0.1°	0.9°

Release date:	2025-09-17
Definition date:	2025-07-24
Last modified:	2025-09-12
Release status:	REL
Processing site:	RCSB
Derived from:	7IJL