A1CW2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.52Å
C2	C3	sing	1.53Å	1.51Å
C3	C4	sing	1.53Å	1.51Å
C4	C5	sing	1.53Å	1.53Å
C5	N1	sing	1.47Å	1.50Å
N1	C6	sing	1.47Å	1.52Å
C6	C7	sing	1.51Å	1.49Å
C7	C8	doub	1.34Å	1.39Å	Aromatic
C8	N2	sing	1.32Å	1.38Å	Aromatic
N2	C9	doub	1.29Å	1.36Å	Aromatic
C9	CL1	sing	1.74Å	1.70Å
C9	S1	sing	1.71Å	1.73Å	Aromatic
C7	S1	sing	1.76Å	1.73Å	Aromatic
N1	C10	sing	1.47Å	1.50Å
C2	C10	sing	1.53Å	1.53Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C6	H12	sing	1.09Å	1.10Å
C6	H13	sing	1.09Å	1.10Å
C8	H14	sing	1.08Å	1.08Å
C10	H15	sing	1.09Å	1.10Å
C10	H16	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	113.3°	109.5°
C1	C2	C10	109.4°	109.5°
C2	C1	H1	109.5°	109.4°
C2	C1	H2	109.4°	109.5°
C2	C1	H3	109.4°	109.5°
C1	C2	H4	107.1°	109.5°
C2	C3	C4	111.3°	109.1°
C3	C2	C10	112.5°	109.3°
C3	C2	H4	107.2°	109.5°
C2	C3	H5	109.0°	109.6°
C2	C3	H6	109.0°	109.5°
C3	C4	C5	116.7°	109.2°
C4	C3	H5	109.0°	109.6°
C4	C3	H6	109.0°	109.5°
C3	C4	H7	107.6°	109.5°
C3	C4	H8	107.6°	109.5°
C4	C5	N1	112.5°	109.5°
C5	C4	H7	107.7°	109.5°
C5	C4	H8	107.7°	109.5°
C4	C5	H10	108.7°	109.4°
C4	C5	H9	108.7°	109.5°
C5	N1	C6	117.1°	111.0°
C5	N1	C10	109.1°	111.2°
N1	C5	H10	108.7°	109.4°
N1	C5	H9	108.7°	109.5°
N1	C6	C7	113.8°	109.5°
C6	N1	C10	112.1°	111.0°
N1	C6	H12	108.3°	109.4°
N1	C6	H13	108.4°	109.5°
C6	C7	C8	130.4°	126.0°
C6	C7	S1	115.9°	126.0°
C7	C6	H12	108.4°	109.5°
C7	C6	H13	108.4°	109.5°
C7	C8	N2	110.8°	114.5°
C8	C7	S1	113.7°	108.0°
C7	C8	H14	124.6°	122.7°
C8	N2	C9	113.3°	117.1°
N2	C8	H14	124.6°	122.8°
N2	C9	CL1	124.1°	125.0°
N2	C9	S1	113.5°	110.1°
CL1	C9	S1	122.4°	124.9°
C9	S1	C7	88.6°	90.3°
N1	C10	C2	113.5°	109.5°
N1	C10	H15	108.5°	109.4°
N1	C10	H16	108.5°	109.5°
C10	C2	H4	107.0°	109.6°
C2	C10	H15	108.5°	109.5°
C2	C10	H16	108.5°	109.5°
H1	C1	H2	109.5°	109.5°
H1	C1	H3	109.4°	109.5°
H2	C1	H3	109.5°	109.5°
H5	C3	H6	109.5°	109.6°
H7	C4	H8	109.5°	109.6°
H10	C5	H9	109.5°	109.5°
H12	C6	H13	109.5°	109.5°
H15	C10	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	C10	124.7°	119.9°
C1	C2	C3	H4	117.9°	120.1°
C1	C2	C3	C4	102.9°	177.6°
C1	C2	C10	N1	162.4°	179.1°
C1	C2	C10	H4	115.7°	120.1°
C2	C1	H1	H2	120.0°	120.0°
C2	C1	H1	H3	120.0°	120.0°
C2	C1	H2	H3	120.0°	120.0°
C1	C2	C3	H5	17.4°	57.7°
C1	C2	C3	H6	136.8°	62.5°
C1	C2	C10	H15	41.8°	60.9°
C1	C2	C10	H16	77.0°	59.1°
C2	C3	C4	H5	120.3°	119.9°
C2	C3	C4	H6	120.3°	119.9°
C2	C3	C4	C5	53.2°	57.7°
C3	C2	C10	N1	35.6°	59.2°
C3	C2	C10	H4	117.5°	120.0°
C3	C2	C1	H1	180.0°	60.0°
C3	C2	C1	H2	60.0°	180.0°
C3	C2	C1	H3	60.0°	60.0°
C2	C3	H5	H6	119.2°	120.2°
C2	C3	C4	H7	67.8°	177.6°
C2	C3	C4	H8	174.3°	62.2°
C3	C2	C10	H15	85.0°	179.2°
C3	C2	C10	H16	156.2°	60.8°
C3	C4	C5	H7	121.0°	119.9°
C3	C4	C5	H8	121.0°	119.9°
C3	C4	C5	N1	23.4°	59.2°
C4	C3	C2	C10	21.9°	57.7°
C4	C3	C2	H4	139.2°	62.3°
C4	C3	H5	H6	119.2°	120.2°
C3	C4	H7	H8	116.7°	120.1°
C3	C4	C5	H10	143.9°	179.2°
C3	C4	C5	H9	97.0°	60.8°
C4	C5	N1	H10	120.4°	119.9°
C4	C5	N1	H9	120.5°	120.0°
C4	C5	N1	C6	162.7°	174.1°
C4	C5	N1	C10	34.0°	61.8°
C5	C4	C3	H5	173.5°	62.2°
C5	C4	C3	H6	67.0°	177.6°
C5	C4	H7	H8	116.8°	120.1°
C4	C5	H10	H9	118.6°	120.0°
C5	N1	C6	C10	127.2°	124.2°
C5	N1	C6	C7	19.5°	65.9°
C5	N1	C10	C2	66.0°	61.8°
N1	C5	C4	H7	97.6°	179.1°
N1	C5	C4	H8	144.5°	60.7°
N1	C5	H10	H9	118.6°	120.1°
C5	N1	C6	H12	140.1°	174.2°
C5	N1	C6	H13	101.2°	54.2°
C5	N1	C10	H15	54.6°	178.2°
C5	N1	C10	H16	173.4°	58.2°
N1	C6	C7	H12	120.6°	119.9°
N1	C6	C7	H13	120.6°	120.1°
N1	C6	C7	C8	112.2°	89.9°
N1	C6	C7	S1	69.2°	90.3°
C6	N1	C10	C2	162.6°	174.2°
C6	N1	C5	H10	42.2°	54.2°
C6	N1	C5	H9	76.9°	65.9°
N1	C6	H12	H13	118.0°	120.0°
C6	N1	C10	H15	76.8°	54.2°
C6	N1	C10	H16	42.0°	65.8°
C6	C7	C8	S1	178.6°	179.8°
C6	C7	C8	N2	179.5°	180.0°
C6	C7	S1	C9	178.8°	179.9°
C7	C6	N1	C10	146.6°	170.0°
C7	C6	H12	H13	118.0°	120.0°
C6	C7	C8	H14	0.5°	0.0°
C7	C8	N2	H14	180.0°	179.9°
C7	C8	N2	C9	0.1°	0.1°
C8	C7	S1	C9	2.4°	0.3°
C8	C7	C6	H12	127.2°	30.0°
C8	C7	C6	H13	8.4°	150.0°
C8	N2	C9	CL1	179.6°	180.0°
C8	N2	C9	S1	1.8°	0.3°
N2	C8	C7	S1	1.9°	0.2°
N2	C9	CL1	S1	178.5°	179.6°
N2	C9	S1	C7	2.4°	0.3°
C9	N2	C8	H14	179.9°	180.0°
CL1	C9	S1	C7	179.0°	180.0°
S1	C7	C6	H12	51.4°	149.7°
S1	C7	C6	H13	170.1°	29.7°
S1	C7	C8	H14	178.1°	179.8°
N1	C10	C2	H15	120.6°	120.0°
N1	C10	C2	H16	120.6°	120.0°
N1	C10	C2	H4	81.9°	60.8°
C10	N1	C5	H10	86.4°	178.3°
C10	N1	C5	H9	154.5°	58.2°
C10	N1	C6	H12	92.7°	50.0°
C10	N1	C6	H13	26.0°	70.0°
N1	C10	H15	H16	118.2°	120.0°
C10	C2	C1	H1	53.6°	59.8°
C10	C2	C1	H2	173.6°	60.2°
C10	C2	C1	H3	66.4°	179.8°
C10	C2	C3	H5	142.1°	62.2°
C10	C2	C3	H6	98.4°	177.6°
C2	C10	H15	H16	118.2°	120.0°
H1	C1	H2	H3	120.0°	120.0°
H1	C1	C2	H4	62.0°	179.9°
H2	C1	C2	H4	58.0°	59.9°
H3	C1	C2	H4	178.0°	60.1°
H4	C2	C3	H5	100.5°	177.7°
H4	C2	C3	H6	18.9°	57.5°
H4	C2	C10	H15	157.5°	59.2°
H4	C2	C10	H16	38.7°	179.2°
H5	C3	C4	H7	52.5°	57.7°
H5	C3	C4	H8	65.4°	177.8°
H6	C3	C4	H7	171.9°	62.5°
H6	C3	C4	H8	54.0°	57.6°
H7	C4	C5	H10	22.9°	60.9°
H7	C4	C5	H9	141.9°	59.1°
H8	C4	C5	H10	95.1°	59.2°
H8	C4	C5	H9	24.0°	179.2°

Release date:	2026-02-18
Definition date:	2025-09-30
Last modified:	2026-02-13
Release status:	REL
Processing site:	RCSB
Derived from:	13QV