A1CHV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O23	C18	sing	1.36Å	1.35Å
C18	C17	doub	1.39Å	1.38Å	Aromatic
C18	C19	sing	1.39Å	1.40Å	Aromatic
C17	C16	sing	1.38Å	1.38Å	Aromatic
O21	C19	sing	1.36Å	1.36Å
O21	C22	sing	1.43Å	1.42Å
C19	C20	doub	1.39Å	1.38Å	Aromatic
C16	C15	doub	1.38Å	1.38Å	Aromatic
C20	C15	sing	1.38Å	1.39Å	Aromatic
C15	C14	sing	1.51Å	1.51Å
C14	N13	sing	1.46Å	1.46Å
O24	C12	doub	1.21Å	1.23Å
N13	C12	sing	1.35Å	1.33Å
C12	C11	sing	1.51Å	1.50Å
C11	C10	sing	1.53Å	1.51Å
C10	C8	sing	1.51Å	1.50Å
C8	S9	sing	1.75Å	1.74Å	Aromatic
C8	C7	doub	1.32Å	1.35Å	Aromatic
S9	C5	sing	1.76Å	1.74Å	Aromatic
C7	C6	sing	1.45Å	1.43Å	Aromatic
C5	C6	doub	1.40Å	1.40Å	Aromatic
C5	C4	sing	1.40Å	1.39Å	Aromatic
C6	C1	sing	1.41Å	1.40Å	Aromatic
C4	C3	doub	1.38Å	1.39Å	Aromatic
C1	C2	doub	1.36Å	1.38Å	Aromatic
C3	C2	sing	1.39Å	1.38Å	Aromatic
C2	H1	sing	1.08Å	1.08Å
C4	H2	sing	1.08Å	1.08Å
C1	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.09Å	1.10Å
C10	H5	sing	1.09Å	1.10Å
C11	H6	sing	1.09Å	1.10Å
C11	H7	sing	1.09Å	1.10Å
C14	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.09Å	1.10Å
C16	H10	sing	1.08Å	1.08Å
C17	H11	sing	1.08Å	1.08Å
C20	H12	sing	1.08Å	1.08Å
C22	H13	sing	1.09Å	1.10Å
C22	H14	sing	1.09Å	1.10Å
C22	H15	sing	1.09Å	1.10Å
C3	H16	sing	1.08Å	1.08Å
C7	H17	sing	1.08Å	1.08Å
N13	H18	sing	0.97Å	1.00Å
O23	H19	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O23	C18	C17	120.2°	120.1°
O23	C18	C19	120.6°	120.1°
C18	O23	H19	109.5°	114.0°
C17	C18	C19	119.2°	119.8°
C18	C17	C16	120.4°	120.0°
C18	C17	H11	119.8°	120.0°
C18	C19	O21	114.5°	120.1°
C18	C19	C20	120.0°	119.8°
C17	C16	C15	121.0°	120.2°
C17	C16	H10	119.5°	120.0°
C16	C17	H11	119.8°	120.0°
C19	O21	C22	117.9°	117.0°
O21	C19	C20	125.5°	120.1°
O21	C22	H13	109.5°	109.5°
O21	C22	H14	109.5°	109.4°
O21	C22	H15	109.5°	109.4°
C19	C20	C15	120.7°	120.0°
C19	C20	H12	119.7°	120.0°
C16	C15	C20	118.7°	120.1°
C16	C15	C14	120.7°	120.0°
C15	C16	H10	119.5°	119.9°
C20	C15	C14	120.6°	119.9°
C15	C20	H12	119.6°	120.0°
C15	C14	N13	113.8°	109.5°
C15	C14	H8	108.3°	109.5°
C15	C14	H9	108.4°	109.4°
C14	N13	C12	122.7°	120.0°
N13	C14	H8	108.4°	109.5°
N13	C14	H9	108.3°	109.5°
C14	N13	H18	118.7°	120.0°
O24	C12	N13	123.1°	120.0°
O24	C12	C11	121.6°	120.0°
N13	C12	C11	115.3°	120.0°
C12	N13	H18	118.7°	120.0°
C12	C11	C10	112.4°	109.5°
C12	C11	H6	108.7°	109.5°
C12	C11	H7	108.7°	109.5°
C11	C10	C8	116.9°	109.5°
C11	C10	H4	107.6°	109.5°
C11	C10	H5	107.6°	109.4°
C10	C11	H6	108.8°	109.5°
C10	C11	H7	108.7°	109.4°
C10	C8	S9	119.5°	124.3°
C10	C8	C7	129.0°	124.3°
C8	C10	H4	107.6°	109.5°
C8	C10	H5	107.6°	109.4°
S9	C8	C7	111.5°	111.4°
C8	S9	C5	91.5°	92.2°
C8	C7	C6	114.7°	114.9°
C8	C7	H17	122.7°	122.5°
S9	C5	C6	111.7°	109.7°
S9	C5	C4	127.1°	130.6°
C7	C6	C5	110.6°	111.9°
C7	C6	C1	131.1°	129.3°
C6	C7	H17	122.7°	122.6°
C6	C5	C4	121.1°	119.7°
C5	C6	C1	118.3°	118.8°
C5	C4	C3	119.2°	120.2°
C5	C4	H2	120.4°	119.9°
C6	C1	C2	120.6°	120.5°
C6	C1	H3	119.7°	119.8°
C4	C3	C2	120.4°	120.2°
C3	C4	H2	120.4°	119.9°
C4	C3	H16	119.8°	119.9°
C1	C2	C3	120.4°	120.6°
C1	C2	H1	119.8°	119.7°
C2	C1	H3	119.7°	119.7°
C3	C2	H1	119.8°	119.7°
C2	C3	H16	119.8°	119.9°
H4	C10	H5	109.5°	109.4°
H6	C11	H7	109.5°	109.4°
H8	C14	H9	109.5°	109.5°
H13	C22	H14	109.4°	109.5°
H13	C22	H15	109.4°	109.5°
H14	C22	H15	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O23	C18	C17	C19	179.3°	179.9°
O23	C18	C17	C16	179.2°	179.9°
O23	C18	C19	O21	0.7°	0.0°
O23	C18	C19	C20	179.3°	179.8°
O23	C18	C17	H11	0.7°	0.0°
C18	C17	C16	H11	180.0°	179.9°
C17	C18	C19	O21	178.5°	180.0°
C17	C18	C19	C20	0.1°	0.3°
C18	C17	C16	C15	0.0°	0.0°
C18	C17	C16	H10	179.9°	180.0°
C17	C18	O23	H19	180.0°	90.0°
C19	C18	C17	C16	0.0°	0.0°
C18	C19	O21	C20	178.5°	179.7°
C18	C19	O21	C22	176.7°	180.0°
C18	C19	C20	C15	0.1°	0.5°
C19	C18	C17	H11	180.0°	179.9°
C18	C19	C20	H12	179.9°	180.0°
C19	C18	O23	H19	0.8°	90.0°
C17	C16	C15	H10	180.0°	179.9°
C17	C16	C15	C20	0.0°	0.2°
C17	C16	C15	C14	179.8°	180.0°
O21	C19	C20	C15	178.3°	179.7°
O21	C19	C20	H12	1.7°	0.3°
C19	O21	C22	H13	180.0°	180.0°
C19	O21	C22	H14	60.0°	59.9°
C19	O21	C22	H15	60.0°	60.0°
C22	O21	C19	C20	1.8°	0.3°
O21	C22	H13	H14	120.0°	120.0°
O21	C22	H13	H15	120.0°	120.0°
O21	C22	H14	H15	120.0°	119.9°
C19	C20	C15	C16	0.1°	0.5°
C19	C20	C15	H12	180.0°	179.5°
C19	C20	C15	C14	179.9°	179.7°
C16	C15	C20	C14	179.7°	179.8°
C16	C15	C14	N13	134.2°	90.0°
C16	C15	C14	H8	13.5°	150.0°
C16	C15	C14	H9	105.2°	30.0°
C15	C16	C17	H11	180.0°	180.0°
C16	C15	C20	H12	179.9°	180.0°
C20	C15	C14	N13	46.1°	90.2°
C20	C15	C14	H8	166.8°	29.8°
C20	C15	C14	H9	74.5°	149.8°
C20	C15	C16	H10	180.0°	179.7°
C15	C14	N13	H8	120.6°	120.0°
C15	C14	N13	H9	120.7°	120.0°
C15	C14	N13	C12	95.0°	180.0°
C15	C14	H8	H9	118.0°	120.0°
C14	C15	C16	H10	0.3°	0.1°
C14	C15	C20	H12	0.2°	0.2°
C15	C14	N13	H18	85.1°	0.0°
C14	N13	C12	O24	4.9°	0.0°
C14	N13	C12	H18	180.0°	180.0°
C14	N13	C12	C11	175.9°	180.0°
N13	C14	H8	H9	118.0°	120.0°
O24	C12	N13	C11	179.2°	180.0°
O24	C12	C11	C10	34.9°	0.0°
O24	C12	C11	H6	155.4°	120.0°
O24	C12	C11	H7	85.5°	120.0°
O24	C12	N13	H18	175.1°	180.0°
N13	C12	C11	C10	145.9°	180.0°
N13	C12	C11	H6	25.4°	60.0°
N13	C12	C11	H7	93.7°	60.0°
C12	N13	C14	H8	25.7°	60.0°
C12	N13	C14	H9	144.4°	60.0°
C12	C11	C10	H6	120.4°	120.0°
C12	C11	C10	H7	120.4°	120.0°
C12	C11	C10	C8	157.7°	179.9°
C12	C11	C10	H4	81.3°	60.0°
C12	C11	C10	H5	36.6°	60.0°
C12	C11	H6	H7	118.6°	120.0°
C11	C12	N13	H18	4.1°	0.0°
C11	C10	C8	H4	121.1°	120.1°
C11	C10	C8	H5	121.1°	120.0°
C11	C10	C8	S9	149.9°	90.0°
C11	C10	C8	C7	31.5°	90.2°
C11	C10	H4	H5	116.7°	120.0°
C10	C11	H6	H7	118.7°	119.9°
C10	C8	S9	C7	178.9°	179.8°
C10	C8	S9	C5	178.8°	179.7°
C10	C8	C7	C6	178.7°	179.7°
C8	C10	H4	H5	116.6°	120.0°
C8	C10	C11	H6	37.2°	59.9°
C8	C10	C11	H7	81.9°	60.1°
C10	C8	C7	H17	1.3°	0.3°
S9	C8	C7	C6	0.1°	0.0°
C8	S9	C5	C6	0.1°	0.0°
C8	S9	C5	C4	180.0°	180.0°
S9	C8	C10	H4	28.8°	30.0°
S9	C8	C10	H5	89.1°	150.0°
S9	C8	C7	H17	179.9°	179.9°
C7	C8	S9	C5	0.1°	0.0°
C8	C7	C6	H17	180.0°	180.0°
C8	C7	C6	C5	0.0°	0.0°
C8	C7	C6	C1	180.0°	180.0°
C7	C8	C10	H4	152.5°	149.7°
C7	C8	C10	H5	89.6°	29.7°
S9	C5	C6	C7	0.1°	0.0°
S9	C5	C6	C4	179.9°	180.0°
S9	C5	C6	C1	180.0°	180.0°
S9	C5	C4	C3	180.0°	179.9°
S9	C5	C4	H2	0.0°	0.0°
C7	C6	C5	C1	180.0°	179.9°
C7	C6	C5	C4	180.0°	180.0°
C7	C6	C1	C2	179.9°	180.0°
C7	C6	C1	H3	0.1°	0.0°
C6	C5	C4	C3	0.1°	0.0°
C5	C6	C1	C2	0.1°	0.0°
C6	C5	C4	H2	179.9°	180.0°
C5	C6	C1	H3	179.9°	180.0°
C5	C6	C7	H17	180.0°	179.9°
C4	C5	C6	C1	0.0°	0.0°
C5	C4	C3	H2	180.0°	179.9°
C5	C4	C3	C2	0.1°	0.1°
C5	C4	C3	H16	179.9°	180.0°
C6	C1	C2	H3	180.0°	180.0°
C6	C1	C2	C3	0.1°	0.1°
C6	C1	C2	H1	179.9°	180.0°
C1	C6	C7	H17	0.0°	0.0°
C4	C3	C2	C1	0.0°	0.1°
C4	C3	C2	H16	180.0°	179.9°
C4	C3	C2	H1	180.0°	179.9°
C1	C2	C3	H1	180.0°	180.0°
C1	C2	C3	H16	180.0°	180.0°
C2	C3	C4	H2	179.9°	180.0°
C3	C2	C1	H3	179.9°	179.9°
H1	C2	C1	H3	0.1°	0.0°
H1	C2	C3	H16	0.0°	0.0°
H2	C4	C3	H16	0.1°	0.1°
H4	C10	C11	H6	158.3°	NaN°
H4	C10	C11	H7	39.1°	60.0°
H5	C10	C11	H6	83.8°	60.1°
H5	C10	C11	H7	157.0°	180.0°
H8	C14	N13	H18	154.3°	120.0°
H9	C14	N13	H18	35.6°	119.9°
H10	C16	C17	H11	0.0°	0.1°
H13	C22	H14	H15	120.0°	120.1°

Release date:	2026-07-22
Definition date:	2025-07-02
Last modified:	2026-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	9PEA