A1CLW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	sing	1.34Å	1.30Å
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	1.55Å
C4	C5	sing	1.54Å	1.54Å
C5	C1	sing	1.54Å	1.55Å
C6	C5	sing	1.51Å	1.51Å
C6	C7	doub	1.38Å	1.40Å	Aromatic
C7	C8	sing	1.39Å	1.40Å	Aromatic
C8	S	sing	1.76Å	1.74Å	Aromatic
S	C9	sing	1.71Å	1.73Å	Aromatic
C9	N	doub	1.28Å	1.29Å	Aromatic
C8	C10	doub	1.40Å	1.41Å	Aromatic
N	C10	sing	1.35Å	1.39Å	Aromatic
C10	C11	sing	1.41Å	1.40Å	Aromatic
C11	C12	doub	1.36Å	1.39Å	Aromatic
C12	C6	sing	1.39Å	1.41Å	Aromatic
C	O1	doub	1.21Å	1.22Å
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
O	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
C12	H12	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C9	H10	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	C1	117.8°	120.0°
O	C	O1	121.8°	120.0°
C	O	H2	109.5°	117.0°
C	C1	C2	113.1°	110.5°
C	C1	C5	112.1°	110.5°
C1	C	O1	120.4°	120.0°
C	C1	H	109.8°	110.4°
C1	C2	C3	104.9°	102.8°
C2	C1	C5	103.2°	104.2°
C2	C1	H	109.3°	110.6°
C1	C2	H3	110.6°	110.7°
C1	C2	H4	110.6°	110.7°
C2	C3	C4	108.0°	104.2°
C2	C3	H5	109.8°	110.5°
C2	C3	H6	109.8°	110.6°
C3	C2	H3	110.6°	110.8°
C3	C2	H4	110.6°	110.7°
C3	C4	C5	104.3°	106.6°
C3	C4	H7	110.7°	110.0°
C3	C4	H8	110.7°	110.0°
C4	C3	H5	109.9°	110.4°
C4	C3	H6	109.8°	110.4°
C4	C5	C1	104.1°	106.6°
C4	C5	C6	116.2°	110.0°
C5	C4	H7	110.7°	110.0°
C5	C4	H8	110.7°	110.0°
C4	C5	H1	107.5°	110.0°
C1	C5	C6	113.2°	110.0°
C1	C5	H1	107.4°	110.0°
C5	C1	H	109.2°	110.5°
C5	C6	C7	119.4°	119.9°
C5	C6	C12	121.5°	120.0°
C6	C5	H1	107.9°	110.0°
C6	C7	C8	119.3°	120.0°
C7	C6	C12	119.1°	120.1°
C6	C7	H9	120.3°	120.0°
C7	C8	S	129.2°	131.8°
C7	C8	C10	121.5°	120.3°
C8	C7	H9	120.4°	120.0°
C8	S	C9	88.9°	90.9°
S	C8	C10	109.2°	108.0°
S	C9	N	117.0°	111.5°
S	C9	H10	121.5°	124.3°
C9	N	C10	110.2°	117.9°
N	C9	H10	121.5°	124.2°
C8	C10	N	114.7°	111.8°
C8	C10	C11	118.8°	118.5°
N	C10	C11	126.5°	129.7°
C10	C11	C12	120.0°	120.4°
C10	C11	H11	120.0°	119.7°
C11	C12	C6	121.1°	120.8°
C11	C12	H12	119.5°	119.6°
C12	C11	H11	120.0°	119.8°
C6	C12	H12	119.4°	119.6°
H7	C4	H8	109.5°	110.1°
H5	C3	H6	109.5°	110.5°
H3	C2	H4	109.5°	110.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	C1	O1	179.3°	180.0°
O	C	C1	C2	111.6°	65.2°
O	C	C1	C5	132.3°	180.0°
O	C	C1	H	10.7°	57.5°
C	C1	C2	C5	121.3°	118.7°
C	C1	C2	H	122.6°	122.6°
C	C1	C2	C3	152.7°	156.7°
C	C1	C5	C4	161.9°	142.3°
C	C1	C5	H	121.9°	122.5°
C	C1	C5	C6	71.0°	98.4°
C	C1	C5	H1	48.1°	23.0°
C1	C	O	H2	179.3°	180.0°
C	C1	C2	H3	33.4°	38.3°
C	C1	C2	H4	88.0°	85.1°
C1	C2	C3	H3	119.3°	118.4°
C1	C2	C3	H4	119.3°	118.3°
C1	C2	C3	C4	11.6°	38.0°
C2	C1	C5	C4	39.9°	23.6°
C2	C1	C5	H	116.1°	118.8°
C2	C1	C5	C6	167.0°	142.9°
C2	C1	C	O1	67.7°	114.8°
C2	C1	C5	H1	73.9°	95.7°
C1	C2	C3	H5	131.4°	80.7°
C1	C2	C3	H6	108.1°	156.6°
C1	C2	H3	H4	122.1°	123.3°
C2	C3	C4	H5	119.8°	118.6°
C2	C3	C4	H6	119.7°	118.8°
C2	C3	C4	C5	12.9°	23.6°
C3	C2	C1	C5	31.4°	38.0°
C2	C3	C4	H7	132.1°	142.8°
C2	C3	C4	H8	106.2°	95.7°
C3	C2	C1	H	84.7°	80.8°
C2	C3	H5	H6	120.7°	122.8°
C3	C2	H3	H4	122.1°	123.3°
C3	C4	C5	H7	119.2°	119.3°
C3	C4	C5	H8	119.2°	119.3°
C3	C4	C5	C1	32.5°	0.0°
C3	C4	C5	C6	157.7°	119.3°
C3	C4	H7	H8	122.4°	121.5°
C3	C4	C5	H1	81.3°	119.3°
C4	C3	H5	H6	120.7°	122.5°
C4	C3	C2	H3	107.7°	80.4°
C4	C3	C2	H4	130.9°	156.3°
C4	C5	C1	C6	127.1°	119.3°
C4	C5	C1	H1	113.8°	119.3°
C4	C5	C6	H1	120.8°	121.4°
C4	C5	C6	C7	128.1°	121.5°
C4	C5	C6	C12	50.8°	58.3°
C5	C4	H7	H8	122.4°	121.4°
C4	C5	C1	H	76.2°	95.2°
C5	C4	C3	H5	106.8°	95.0°
C5	C4	C3	H6	132.7°	142.4°
C1	C5	C6	H1	118.8°	121.4°
C1	C5	C6	C7	111.4°	121.3°
C1	C5	C6	C12	69.6°	58.9°
C5	C1	C	O1	48.5°	0.0°
C1	C5	C4	H7	151.7°	119.3°
C1	C5	C4	H8	86.7°	119.3°
C5	C1	C2	H3	87.9°	80.4°
C5	C1	C2	H4	150.7°	156.3°
C5	C6	C7	C12	179.0°	179.8°
C5	C6	C7	C8	179.7°	180.0°
C5	C6	C12	C11	176.9°	179.7°
C6	C5	C4	H7	83.1°	0.0°
C6	C5	C4	H8	38.6°	121.4°
C5	C6	C7	H9	0.2°	0.0°
C6	C5	C1	H	50.9°	24.1°
C5	C6	C12	H12	3.0°	0.0°
C6	C7	C8	H9	180.0°	179.9°
C6	C7	C8	S	177.6°	180.0°
C6	C7	C8	C10	3.3°	0.0°
C7	C6	C12	C11	2.0°	0.5°
C7	C6	C5	H1	7.3°	0.1°
C7	C6	C12	H12	178.0°	179.8°
C7	C8	S	C10	179.2°	180.0°
C7	C8	S	C9	179.0°	180.0°
C7	C8	C10	N	178.7°	180.0°
C7	C8	C10	C11	1.9°	0.0°
C8	C7	C6	C12	1.3°	0.2°
C8	S	C9	N	0.2°	0.0°
S	C8	C10	N	0.5°	0.0°
S	C8	C10	C11	178.8°	180.0°
S	C8	C7	H9	2.3°	0.1°
C8	S	C9	H10	179.8°	180.0°
S	C9	N	H10	180.0°	179.9°
C9	S	C8	C10	0.2°	0.0°
S	C9	N	C10	0.5°	0.0°
C9	N	C10	C8	0.6°	0.0°
C9	N	C10	C11	178.6°	180.0°
C8	C10	N	C11	179.3°	179.9°
C8	C10	C11	C12	1.4°	0.3°
C10	C8	C7	H9	176.8°	180.0°
C8	C10	C11	H11	178.6°	180.0°
N	C10	C11	C12	177.8°	179.7°
N	C10	C11	H11	2.2°	0.1°
C10	N	C9	H10	179.5°	180.0°
C10	C11	C12	H11	180.0°	179.7°
C10	C11	C12	C6	3.4°	0.6°
C10	C11	C12	H12	176.6°	179.7°
C11	C12	C6	H12	180.0°	179.7°
C12	C6	C5	H1	171.6°	179.7°
C12	C6	C7	H9	178.8°	179.7°
C6	C12	C11	H11	176.6°	179.8°
O1	C	O	H2	0.0°	0.0°
O1	C	C1	H	170.0°	122.5°
H7	C4	C5	H1	37.9°	121.4°
H7	C4	C3	H5	12.4°	24.2°
H7	C4	C3	H6	108.1°	98.3°
H8	C4	C5	H1	159.6°	0.0°
H8	C4	C3	H5	134.0°	145.7°
H8	C4	C3	H6	13.5°	23.2°
H1	C5	C1	H	169.9°	145.5°
H	C1	C2	H3	156.0°	160.9°
H	C1	C2	H4	34.6°	37.5°
H5	C3	C2	H3	12.1°	161.0°
H5	C3	C2	H4	109.3°	37.7°
H6	C3	C2	H3	132.6°	38.3°
H6	C3	C2	H4	11.2°	85.0°
H12	C12	C11	H11	3.4°	0.1°

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