A1CIY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C5	doub	1.21Å	1.31Å
O1	C5	sing	1.34Å	1.22Å
C5	C3	sing	1.51Å	1.50Å
C4	C3	sing	1.53Å	1.52Å
C3	C2	sing	1.53Å	1.53Å
C2	C1	sing	1.51Å	1.50Å
C1	O	doub	1.21Å	1.23Å
C1	C	sing	1.42Å	1.44Å
C6	C	doub	1.34Å	1.36Å	Aromatic
C6	C7	sing	1.40Å	1.43Å	Aromatic
C12	O3	sing	1.43Å	1.43Å
C	S	sing	1.76Å	1.75Å	Aromatic
C13	C7	doub	1.42Å	1.40Å	Aromatic
C13	C11	sing	1.36Å	1.37Å	Aromatic
C7	C8	sing	1.40Å	1.41Å	Aromatic
O3	C11	sing	1.36Å	1.36Å
C11	C10	doub	1.40Å	1.41Å	Aromatic
S	C8	sing	1.76Å	1.75Å	Aromatic
C8	C9	doub	1.40Å	1.39Å	Aromatic
C10	C9	sing	1.38Å	1.38Å	Aromatic
C10	O4	sing	1.36Å	1.36Å
O4	C14	sing	1.43Å	1.42Å
C4	H4	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C4	H5	sing	1.09Å	1.10Å
C6	H7	sing	1.08Å	1.08Å
C13	H12	sing	1.08Å	1.08Å
O1	H6	sing	0.97Å	0.95Å
C3	H	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C2	H1	sing	1.09Å	1.10Å
C9	H8	sing	1.08Å	1.08Å
C14	H15	sing	1.09Å	1.10Å
C14	H14	sing	1.09Å	1.10Å
C14	H13	sing	1.09Å	1.10Å
C12	H11	sing	1.09Å	1.10Å
C12	H9	sing	1.09Å	1.10Å
C12	H10	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C5	O1	124.7°	120.0°
O2	C5	C3	112.6°	120.0°
O1	C5	C3	122.7°	120.0°
C5	O1	H6	109.5°	117.0°
C5	C3	C4	107.3°	109.5°
C5	C3	C2	104.4°	109.5°
C5	C3	H	111.2°	109.5°
C4	C3	C2	112.0°	109.5°
C3	C4	H4	109.5°	109.4°
C3	C4	H3	109.4°	109.5°
C3	C4	H5	109.5°	109.4°
C4	C3	H	110.9°	109.5°
C3	C2	C1	111.2°	109.5°
C2	C3	H	110.9°	109.4°
C3	C2	H2	109.0°	109.4°
C3	C2	H1	109.0°	109.5°
C2	C1	O	121.8°	120.0°
C2	C1	C	117.5°	120.0°
C1	C2	H2	109.0°	109.5°
C1	C2	H1	109.0°	109.5°
O	C1	C	120.7°	120.0°
C1	C	C6	130.0°	124.7°
C1	C	S	117.5°	124.7°
C	C6	C7	114.3°	115.5°
C6	C	S	112.5°	110.6°
C	C6	H7	122.8°	122.3°
C6	C7	C13	131.0°	128.7°
C6	C7	C8	110.4°	112.6°
C7	C6	H7	122.8°	122.2°
C12	O3	C11	117.9°	117.0°
O3	C12	H11	109.5°	109.5°
O3	C12	H9	109.5°	109.5°
O3	C12	H10	109.5°	109.4°
C	S	C8	90.3°	91.6°
C7	C13	C11	121.2°	120.5°
C13	C7	C8	118.5°	118.7°
C7	C13	H12	119.4°	119.7°
C13	C11	O3	124.6°	119.7°
C13	C11	C10	120.0°	120.5°
C11	C13	H12	119.4°	119.7°
C7	C8	S	112.4°	109.6°
C7	C8	C9	120.4°	120.0°
O3	C11	C10	115.4°	119.8°
C11	C10	C9	119.7°	120.1°
C11	C10	O4	115.1°	120.0°
S	C8	C9	127.2°	130.4°
C8	C9	C10	120.2°	120.2°
C8	C9	H8	119.9°	119.9°
C9	C10	O4	125.1°	120.0°
C10	C9	H8	120.0°	119.9°
C10	O4	C14	118.1°	117.0°
O4	C14	H15	109.5°	109.5°
O4	C14	H14	109.5°	109.4°
O4	C14	H13	109.5°	109.5°
H4	C4	H3	109.5°	109.5°
H4	C4	H5	109.5°	109.5°
H3	C4	H5	109.5°	109.5°
H2	C2	H1	109.5°	109.5°
H15	C14	H14	109.5°	109.5°
H15	C14	H13	109.5°	109.5°
H14	C14	H13	109.4°	109.4°
H11	C12	H9	109.5°	109.5°
H11	C12	H10	109.4°	109.5°
H9	C12	H10	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C5	O1	C3	178.6°	179.9°
O2	C5	C3	C4	104.8°	120.0°
O2	C5	C3	C2	136.2°	0.1°
O2	C5	O1	H6	0.0°	0.1°
O2	C5	C3	H	16.6°	120.0°
O1	C5	C3	C4	76.5°	60.0°
O1	C5	C3	C2	42.5°	180.0°
O1	C5	C3	H	162.1°	60.1°
C5	C3	C4	C2	114.0°	120.0°
C5	C3	C4	H	121.6°	120.0°
C5	C3	C2	H	119.8°	120.0°
C5	C3	C2	C1	65.0°	175.0°
C5	C3	C4	H4	180.0°	60.0°
C5	C3	C4	H3	60.0°	180.0°
C5	C3	C4	H5	60.0°	60.0°
C3	C5	O1	H6	178.5°	180.0°
C5	C3	C2	H2	174.7°	65.0°
C5	C3	C2	H1	55.2°	55.0°
C4	C3	C2	H	124.4°	119.9°
C4	C3	C2	C1	179.2°	65.0°
C3	C4	H4	H3	120.0°	120.0°
C3	C4	H4	H5	120.0°	120.0°
C3	C4	H3	H5	120.0°	120.0°
C4	C3	C2	H2	58.9°	55.0°
C4	C3	C2	H1	60.5°	175.0°
C3	C2	C1	H2	120.3°	120.0°
C3	C2	C1	H1	120.2°	120.0°
C3	C2	C1	O	47.0°	0.0°
C3	C2	C1	C	132.5°	180.0°
C2	C3	C4	H4	66.0°	60.0°
C2	C3	C4	H3	174.0°	60.0°
C2	C3	C4	H5	54.0°	180.0°
C3	C2	H2	H1	119.2°	120.0°
C2	C1	O	C	179.5°	180.0°
C2	C1	C	C6	4.0°	180.0°
C2	C1	C	S	175.6°	0.0°
C1	C2	C3	H	54.8°	55.0°
C1	C2	H2	H1	119.2°	120.0°
O	C1	C	C6	175.5°	0.0°
O	C1	C	S	4.8°	180.0°
O	C1	C2	H2	73.3°	119.9°
O	C1	C2	H1	167.3°	120.0°
C1	C	C6	S	179.7°	180.0°
C1	C	C6	C7	177.9°	180.0°
C1	C	S	C8	178.5°	180.0°
C1	C	C6	H7	2.1°	0.2°
C	C1	C2	H2	107.2°	60.1°
C	C1	C2	H1	12.3°	60.0°
C	C6	C7	H7	180.0°	179.8°
C	C6	C7	C13	175.7°	179.9°
C	C6	C7	C8	1.9°	0.1°
C6	C	S	C8	1.8°	0.1°
C7	C6	C	S	2.4°	0.1°
C6	C7	C13	C8	177.4°	180.0°
C6	C7	C13	C11	175.4°	180.0°
C6	C7	C8	S	0.5°	0.0°
C6	C7	C8	C9	178.2°	180.0°
C6	C7	C13	H12	4.6°	0.0°
C12	O3	C11	C13	3.9°	0.0°
C12	O3	C11	C10	175.2°	179.9°
O3	C12	H11	H9	120.0°	120.0°
O3	C12	H11	H10	120.0°	119.9°
O3	C12	H9	H10	120.0°	120.0°
C	S	C8	C7	0.7°	0.0°
C	S	C8	C9	176.8°	180.0°
S	C	C6	H7	177.6°	179.8°
C7	C13	C11	H12	180.0°	179.9°
C7	C13	C11	O3	176.1°	180.0°
C7	C13	C11	C10	3.0°	0.1°
C13	C7	C8	S	177.5°	180.0°
C13	C7	C8	C9	0.3°	0.0°
C13	C7	C6	H7	4.3°	0.2°
C11	C13	C7	C8	2.0°	0.0°
C13	C11	O3	C10	179.1°	179.9°
C13	C11	C10	C9	1.6°	0.1°
C13	C11	C10	O4	177.1°	180.0°
C7	C8	S	C9	177.5°	180.0°
C7	C8	C9	C10	1.6°	0.0°
C8	C7	C6	H7	178.1°	179.8°
C8	C7	C13	H12	178.0°	180.0°
C7	C8	C9	H8	178.4°	180.0°
O3	C11	C10	C9	177.5°	180.0°
O3	C11	C10	O4	3.8°	0.1°
O3	C11	C13	H12	3.9°	0.1°
C11	O3	C12	H11	180.0°	60.0°
C11	O3	C12	H9	60.0°	60.0°
C11	O3	C12	H10	60.0°	180.0°
C11	C10	C9	C8	0.6°	0.0°
C11	C10	C9	O4	178.6°	179.9°
C11	C10	O4	C14	177.0°	180.0°
C10	C11	C13	H12	177.0°	180.0°
C11	C10	C9	H8	179.4°	179.9°
S	C8	C9	C10	175.8°	180.0°
S	C8	C9	H8	4.2°	0.0°
C8	C9	C10	H8	180.0°	180.0°
C8	C9	C10	O4	179.2°	180.0°
C9	C10	O4	C14	4.4°	0.0°
O4	C10	C9	H8	0.8°	0.0°
C10	O4	C14	H15	180.0°	60.0°
C10	O4	C14	H14	60.0°	60.0°
C10	O4	C14	H13	60.0°	180.0°
O4	C14	H15	H14	120.0°	120.0°
O4	C14	H15	H13	120.0°	120.0°
O4	C14	H14	H13	120.0°	120.0°
H4	C4	H3	H5	120.0°	120.1°
H4	C4	C3	H	58.4°	179.9°
H3	C4	C3	H	61.6°	60.0°
H5	C4	C3	H	178.4°	60.0°
H	C3	C2	H2	65.5°	174.9°
H	C3	C2	H1	175.1°	65.0°
H15	C14	H14	H13	120.0°	120.0°
H11	C12	H9	H10	119.9°	120.0°

Release date:	2026-07-01
Definition date:	2025-07-22
Last modified:	2026-06-26
Release status:	REL
Processing site:	RCSB
Derived from:	9PPL