A1CWK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	N2	sing	1.49Å	1.49Å
C12	C11	sing	1.55Å	1.55Å
N2	C13	sing	1.48Å	1.49Å
C9	C8	sing	1.51Å	1.51Å
C13	C10	sing	1.54Å	1.54Å
C7	C8	doub	1.34Å	1.34Å	Aromatic
C7	N1	sing	1.37Å	1.37Å	Aromatic
C8	C5	sing	1.47Å	1.47Å	Aromatic
C11	C10	sing	1.55Å	1.54Å
C10	N1	sing	1.47Å	1.46Å
N1	C4	sing	1.38Å	1.38Å	Aromatic
C5	C4	doub	1.41Å	1.41Å	Aromatic
C5	C6	sing	1.40Å	1.39Å	Aromatic
C4	C3	sing	1.39Å	1.39Å	Aromatic
C6	C1	doub	1.37Å	1.38Å	Aromatic
C3	C2	doub	1.38Å	1.38Å	Aromatic
C1	C2	sing	1.39Å	1.39Å	Aromatic
C1	CL	sing	1.74Å	1.73Å
C6	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.08Å	1.08Å
C10	H3	sing	1.09Å	1.10Å
C13	H4	sing	1.09Å	1.10Å
C13	H5	sing	1.09Å	1.10Å
C11	H6	sing	1.09Å	1.10Å
C11	H7	sing	1.09Å	1.10Å
C12	H8	sing	1.09Å	1.10Å
C12	H9	sing	1.09Å	1.10Å
C2	H10	sing	1.08Å	1.08Å
C3	H11	sing	1.08Å	1.08Å
C9	H12	sing	1.09Å	1.10Å
C9	H13	sing	1.09Å	1.10Å
C9	H14	sing	1.09Å	1.10Å
N2	H15	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	C12	C11	106.5°	103.2°
C12	N2	C13	105.4°	105.8°
N2	C12	H8	110.2°	110.7°
N2	C12	H9	110.2°	110.7°
C12	N2	H15	110.5°	111.0°
C12	C11	C10	105.3°	102.9°
C12	C11	H6	110.5°	110.7°
C12	C11	H7	110.5°	110.9°
C11	C12	H8	110.2°	110.7°
C11	C12	H9	110.2°	110.6°
N2	C13	C10	103.7°	107.1°
N2	C13	H4	110.9°	109.9°
N2	C13	H5	110.9°	110.1°
C13	N2	H15	110.5°	110.9°
C9	C8	C7	126.7°	126.5°
C9	C8	C5	126.3°	126.5°
C8	C9	H12	109.5°	109.5°
C8	C9	H13	109.5°	109.5°
C8	C9	H14	109.5°	109.5°
C13	C10	C11	103.7°	105.2°
C13	C10	N1	110.3°	110.3°
C13	C10	H3	110.2°	110.3°
C10	C13	H4	110.9°	109.9°
C10	C13	H5	110.9°	109.9°
C8	C7	N1	109.9°	109.9°
C7	C8	C5	107.0°	107.0°
C8	C7	H2	125.0°	125.0°
C7	N1	C10	125.4°	125.1°
C7	N1	C4	109.9°	109.9°
N1	C7	H2	125.1°	125.0°
C8	C5	C4	106.1°	106.0°
C8	C5	C6	134.0°	134.0°
C11	C10	N1	110.8°	110.3°
C11	C10	H3	110.2°	110.3°
C10	C11	H6	110.5°	110.8°
C10	C11	H7	110.5°	110.8°
C10	N1	C4	124.7°	125.1°
N1	C10	H3	111.3°	110.3°
N1	C4	C5	107.1°	107.2°
N1	C4	C3	133.3°	133.5°
C4	C5	C6	119.9°	120.0°
C5	C4	C3	119.5°	119.4°
C5	C6	C1	119.7°	119.7°
C5	C6	H1	120.2°	120.2°
C4	C3	C2	119.8°	119.8°
C4	C3	H11	120.1°	120.1°
C6	C1	C2	120.4°	120.5°
C6	C1	CL	119.7°	119.7°
C1	C6	H1	120.2°	120.1°
C3	C2	C1	120.6°	120.6°
C3	C2	H10	119.7°	119.7°
C2	C3	H11	120.1°	120.1°
C2	C1	CL	119.9°	119.7°
C1	C2	H10	119.7°	119.7°
H4	C13	H5	109.5°	109.9°
H6	C11	H7	109.4°	110.6°
H8	C12	H9	109.5°	110.7°
H12	C9	H13	109.5°	109.4°
H12	C9	H14	109.5°	109.4°
H13	C9	H14	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C12	C11	H8	119.5°	118.5°
N2	C12	C11	H9	119.6°	118.5°
C12	N2	C13	H15	119.4°	120.5°
C12	N2	C13	C10	39.4°	25.3°
N2	C12	C11	C10	3.9°	37.3°
C12	N2	C13	H4	79.7°	94.0°
C12	N2	C13	H5	158.4°	144.7°
N2	C12	C11	H6	115.4°	81.1°
N2	C12	C11	H7	123.3°	155.8°
N2	C12	H8	H9	121.4°	123.2°
C11	C12	N2	C13	27.0°	39.1°
C12	C11	C10	C13	19.5°	21.9°
C12	C11	C10	H6	119.3°	118.4°
C12	C11	C10	H7	119.4°	118.6°
C12	C11	C10	N1	137.8°	140.9°
C12	C11	C10	H3	98.5°	97.1°
C12	C11	H6	H7	121.9°	123.3°
C11	C12	H8	H9	121.3°	123.0°
C11	C12	N2	H15	146.3°	81.3°
N2	C13	C10	H4	119.1°	119.4°
N2	C13	C10	H5	119.1°	119.6°
N2	C13	C10	C11	36.1°	1.3°
N2	C13	C10	N1	154.8°	117.7°
N2	C13	C10	H3	81.8°	120.3°
N2	C13	H4	H5	122.7°	121.4°
C13	N2	C12	H8	146.5°	157.6°
C13	N2	C12	H9	92.6°	79.2°
C9	C8	C7	C5	179.9°	180.0°
C9	C8	C7	N1	180.0°	180.0°
C9	C8	C5	C4	179.9°	180.0°
C9	C8	C5	C6	0.1°	0.0°
C9	C8	C7	H2	0.0°	0.0°
C8	C9	H12	H13	120.0°	120.0°
C8	C9	H12	H14	120.0°	120.0°
C8	C9	H13	H14	120.0°	120.0°
C13	C10	N1	C7	40.7°	57.6°
C13	C10	C11	N1	118.3°	118.9°
C13	C10	C11	H3	118.0°	119.0°
C13	C10	N1	H3	122.7°	122.1°
C13	C10	N1	C4	139.0°	122.9°
C10	C13	H4	H5	122.7°	121.1°
C13	C10	C11	H6	138.8°	96.4°
C13	C10	C11	H7	99.9°	140.5°
C10	C13	N2	H15	158.7°	95.2°
C8	C7	N1	H2	180.0°	179.9°
C8	C7	N1	C10	179.9°	179.7°
C8	C7	N1	C4	0.2°	0.1°
C7	C8	C5	C4	0.0°	0.0°
C7	C8	C5	C6	180.0°	179.9°
C7	C8	C9	H12	90.0°	90.0°
C7	C8	C9	H13	150.0°	150.0°
C7	C8	C9	H14	30.1°	30.0°
N1	C7	C8	C5	0.1°	0.0°
C7	N1	C10	C11	73.5°	58.3°
C7	N1	C10	C4	179.7°	179.6°
C7	N1	C4	C5	0.2°	0.1°
C7	N1	C4	C3	179.9°	180.0°
C7	N1	C10	H3	163.4°	179.6°
C8	C5	C4	N1	0.1°	0.1°
C8	C5	C4	C6	180.0°	179.9°
C8	C5	C4	C3	179.9°	180.0°
C8	C5	C6	C1	180.0°	180.0°
C8	C5	C6	H1	0.0°	0.0°
C5	C8	C7	H2	179.9°	180.0°
C5	C8	C9	H12	89.9°	90.0°
C5	C8	C9	H13	30.0°	30.0°
C5	C8	C9	H14	150.0°	150.0°
C11	C10	N1	H3	123.1°	122.1°
C11	C10	N1	C4	106.8°	121.3°
C11	C10	C13	H4	82.9°	118.1°
C11	C10	C13	H5	155.2°	120.8°
C10	C11	H6	H7	121.9°	123.2°
C10	C11	C12	H8	123.5°	155.8°
C10	C11	C12	H9	115.6°	81.1°
C10	N1	C4	C5	179.9°	179.7°
C10	N1	C4	C3	0.3°	0.4°
C10	N1	C7	H2	0.1°	0.3°
N1	C10	C13	H4	35.7°	122.9°
N1	C10	C13	H5	86.1°	1.9°
N1	C10	C11	H6	102.9°	22.5°
N1	C10	C11	H7	18.4°	100.6°
N1	C4	C5	C3	179.8°	179.9°
N1	C4	C5	C6	179.9°	180.0°
N1	C4	C3	C2	179.9°	179.9°
C4	N1	C7	H2	179.9°	180.0°
C4	N1	C10	H3	16.3°	0.8°
N1	C4	C3	H11	0.1°	0.1°
C4	C5	C6	C1	0.0°	0.1°
C5	C4	C3	C2	0.1°	0.0°
C4	C5	C6	H1	180.0°	180.0°
C5	C4	C3	H11	179.9°	180.0°
C6	C5	C4	C3	0.1°	0.1°
C5	C6	C1	H1	180.0°	180.0°
C5	C6	C1	C2	0.0°	0.0°
C5	C6	C1	CL	180.0°	180.0°
C4	C3	C2	H11	180.0°	180.0°
C4	C3	C2	C1	0.1°	0.1°
C4	C3	C2	H10	179.9°	180.0°
C6	C1	C2	C3	0.0°	0.1°
C6	C1	C2	CL	180.0°	180.0°
C6	C1	C2	H10	180.0°	180.0°
C3	C2	C1	H10	180.0°	179.9°
C3	C2	C1	CL	180.0°	179.9°
C2	C1	C6	H1	180.0°	180.0°
C1	C2	C3	H11	179.9°	180.0°
CL	C1	C6	H1	0.0°	0.0°
CL	C1	C2	H10	0.0°	0.0°
H3	C10	C13	H4	159.1°	0.9°
H3	C10	C13	H5	37.2°	120.2°
H3	C10	C11	H6	20.8°	144.6°
H3	C10	C11	H7	142.1°	21.5°
H4	C13	N2	H15	39.6°	145.5°
H5	C13	N2	H15	82.2°	24.3°
H6	C11	C12	H8	4.1°	37.4°
H6	C11	C12	H9	125.0°	160.5°
H7	C11	C12	H8	117.2°	85.7°
H7	C11	C12	H9	3.8°	37.3°
H8	C12	N2	H15	94.2°	37.2°
H9	C12	N2	H15	26.8°	160.3°
H10	C2	C3	H11	0.1°	0.1°
H12	C9	H13	H14	120.0°	119.9°

Release date:	2026-01-28
Definition date:	2025-09-29
Last modified:	2026-01-23
Release status:	REL
Processing site:	RCSB
Derived from:	9YG2