A1CCA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F8	C7	sing	1.35Å	0.00Å
C7	C6	doub	1.38Å	0.00Å	Aromatic
C7	C9	sing	1.39Å	0.00Å	Aromatic
F13	C9	sing	1.35Å	0.00Å
C6	C5	sing	1.38Å	0.00Å	Aromatic
C9	C10	doub	1.39Å	0.00Å	Aromatic
O1	C2	doub	1.21Å	0.00Å
C2	C3	sing	1.51Å	0.00Å
C2	N15	sing	1.34Å	0.00Å
C5	C4	sing	1.51Å	0.00Å
C5	C12	doub	1.38Å	0.00Å	Aromatic
C10	C12	sing	1.38Å	0.00Å	Aromatic
C10	F11	sing	1.35Å	0.00Å
C3	C4	sing	1.55Å	0.00Å
N15	C14	sing	1.47Å	0.00Å
N15	C16	sing	1.46Å	0.00Å
C14	C4	sing	1.54Å	0.00Å
C16	C17	sing	1.51Å	0.00Å
C23	C22	sing	1.51Å	0.00Å
C17	C22	doub	1.39Å	0.00Å	Aromatic
C17	C18	sing	1.39Å	0.00Å	Aromatic
C22	C21	sing	1.38Å	0.00Å	Aromatic
C18	C19	doub	1.38Å	0.00Å	Aromatic
C21	N20	doub	1.32Å	0.00Å	Aromatic
C19	N20	sing	1.32Å	0.00Å	Aromatic
C6	H1	sing	1.08Å	0.00Å
C4	H2	sing	1.09Å	0.00Å
C3	H3	sing	1.09Å	0.00Å
C3	H4	sing	1.09Å	0.00Å
C16	H5	sing	1.09Å	0.00Å
C16	H6	sing	1.09Å	0.00Å
C18	H7	sing	1.08Å	0.00Å
C23	H8	sing	1.09Å	0.00Å
C23	H9	sing	1.09Å	0.00Å
C23	H10	sing	1.09Å	0.00Å
C12	H11	sing	1.08Å	0.00Å
C14	H12	sing	1.09Å	0.00Å
C14	H13	sing	1.09Å	0.00Å
C19	H14	sing	1.08Å	0.00Å
C21	H15	sing	1.08Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F8	C7	C6	90.0°	120.0°
F8	C7	C9	90.0°	120.1°
C6	C7	C9	90.0°	119.9°
C7	C6	C5	90.0°	120.0°
C7	C6	H1	90.0°	120.0°
C7	C9	F13	90.0°	120.0°
C7	C9	C10	90.0°	120.0°
F13	C9	C10	90.0°	120.0°
C6	C5	C4	90.0°	120.0°
C6	C5	C12	90.0°	120.1°
C5	C6	H1	90.0°	120.0°
C9	C10	C12	90.0°	119.9°
C9	C10	F11	90.0°	120.0°
O1	C2	C3	90.0°	124.9°
O1	C2	N15	90.0°	124.9°
C3	C2	N15	90.0°	110.1°
C2	C3	C4	90.0°	104.2°
C2	C3	H3	90.0°	110.5°
C2	C3	H4	90.0°	110.5°
C2	N15	C14	90.0°	111.3°
C2	N15	C16	90.0°	124.4°
C4	C5	C12	90.0°	120.0°
C5	C4	C3	90.0°	111.0°
C5	C4	C14	90.0°	111.0°
C5	C4	H2	90.0°	110.8°
C5	C12	C10	90.0°	120.1°
C5	C12	H11	90.0°	120.0°
C12	C10	F11	90.0°	120.0°
C10	C12	H11	90.0°	119.9°
C3	C4	C14	90.0°	101.8°
C3	C4	H2	90.0°	111.0°
C4	C3	H3	90.0°	110.5°
C4	C3	H4	90.0°	110.5°
C14	N15	C16	90.0°	124.4°
N15	C14	C4	90.0°	105.5°
N15	C14	H12	90.0°	110.2°
N15	C14	H13	90.0°	110.3°
N15	C16	C17	90.0°	109.5°
N15	C16	H5	90.0°	109.5°
N15	C16	H6	90.0°	109.5°
C14	C4	H2	90.0°	111.0°
C4	C14	H12	90.0°	110.3°
C4	C14	H13	90.0°	110.3°
C16	C17	C22	90.0°	120.8°
C16	C17	C18	90.0°	120.8°
C17	C16	H5	90.0°	109.5°
C17	C16	H6	90.0°	109.5°
C23	C22	C17	90.0°	120.4°
C23	C22	C21	90.0°	120.4°
C22	C23	H8	90.0°	109.5°
C22	C23	H9	90.0°	109.4°
C22	C23	H10	90.0°	109.5°
C22	C17	C18	90.0°	118.4°
C17	C22	C21	90.0°	119.2°
C17	C18	C19	90.0°	119.2°
C17	C18	H7	90.0°	120.4°
C22	C21	N20	90.0°	120.8°
C22	C21	H15	90.0°	119.6°
C18	C19	N20	90.0°	120.8°
C19	C18	H7	90.0°	120.4°
C18	C19	H14	90.0°	119.7°
C21	N20	C19	90.0°	121.7°
N20	C21	H15	90.0°	119.6°
N20	C19	H14	90.0°	119.5°
H3	C3	H4	90.0°	110.5°
H5	C16	H6	90.0°	109.5°
H8	C23	H9	90.0°	109.5°
H8	C23	H10	90.0°	109.5°
H9	C23	H10	90.0°	109.5°
H12	C14	H13	90.0°	110.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F8	C7	C6	C9	90.0°	180.0°
F8	C7	C9	F13	90.0°	0.0°
F8	C7	C6	C5	90.0°	180.0°
F8	C7	C9	C10	90.0°	180.0°
F8	C7	C6	H1	90.0°	0.2°
C6	C7	C9	F13	90.0°	180.0°
C7	C6	C5	H1	90.0°	179.8°
C6	C7	C9	C10	90.0°	0.0°
C7	C6	C5	C4	90.0°	179.8°
C7	C6	C5	C12	90.0°	0.3°
C7	C9	F13	C10	90.0°	179.9°
C9	C7	C6	C5	90.0°	0.0°
C7	C9	C10	C12	90.0°	0.2°
C7	C9	C10	F11	90.0°	179.7°
C9	C7	C6	H1	90.0°	179.8°
F13	C9	C10	C12	90.0°	179.7°
F13	C9	C10	F11	90.0°	0.2°
C6	C5	C4	C12	90.0°	179.9°
C6	C5	C12	C10	90.0°	0.6°
C6	C5	C4	C3	90.0°	124.5°
C6	C5	C4	C14	90.0°	123.1°
C6	C5	C4	H2	90.0°	0.7°
C6	C5	C12	H11	90.0°	180.0°
C9	C10	C12	C5	90.0°	0.5°
C9	C10	C12	F11	90.0°	179.5°
C9	C10	C12	H11	90.0°	180.0°
O1	C2	C3	N15	90.0°	179.8°
O1	C2	C3	C4	90.0°	163.5°
O1	C2	N15	C14	90.0°	179.8°
O1	C2	N15	C16	90.0°	0.2°
O1	C2	C3	H3	90.0°	77.8°
O1	C2	C3	H4	90.0°	44.9°
C2	C3	C4	C5	90.0°	142.9°
C2	C3	C4	H3	90.0°	118.7°
C2	C3	C4	H4	90.0°	118.7°
C3	C2	N15	C14	90.0°	0.3°
C3	C2	N15	C16	90.0°	179.6°
C2	C3	C4	C14	90.0°	24.8°
C2	C3	C4	H2	90.0°	93.4°
C2	C3	H3	H4	90.0°	122.6°
N15	C2	C3	C4	90.0°	16.3°
C2	N15	C14	C16	90.0°	179.9°
C2	N15	C14	C4	90.0°	17.0°
C2	N15	C16	C17	90.0°	90.0°
N15	C2	C3	H3	90.0°	102.4°
N15	C2	C3	H4	90.0°	135.0°
C2	N15	C16	H5	90.0°	29.9°
C2	N15	C16	H6	90.0°	150.0°
C2	N15	C14	H12	90.0°	102.1°
C2	N15	C14	H13	90.0°	136.1°
C4	C5	C12	C10	90.0°	179.5°
C5	C4	C3	C14	90.0°	118.1°
C5	C4	C3	H2	90.0°	123.7°
C5	C4	C14	N15	90.0°	143.5°
C5	C4	C14	H2	90.0°	123.7°
C4	C5	C6	H1	90.0°	0.0°
C5	C4	C3	H3	90.0°	24.2°
C5	C4	C3	H4	90.0°	98.4°
C4	C5	C12	H11	90.0°	0.1°
C5	C4	C14	H12	90.0°	24.5°
C5	C4	C14	H13	90.0°	97.4°
C5	C12	C10	H11	90.0°	179.4°
C5	C12	C10	F11	90.0°	180.0°
C12	C5	C4	C3	90.0°	55.5°
C12	C5	C4	C14	90.0°	56.9°
C12	C5	C6	H1	90.0°	179.9°
C12	C5	C4	H2	90.0°	179.2°
F11	C10	C12	H11	90.0°	0.6°
C3	C4	C14	N15	90.0°	25.4°
C3	C4	C14	H2	90.0°	118.2°
C4	C3	H3	H4	90.0°	122.6°
C3	C4	C14	H12	90.0°	93.6°
C3	C4	C14	H13	90.0°	144.5°
N15	C14	C4	H12	90.0°	119.0°
N15	C14	C4	H13	90.0°	119.1°
C14	N15	C16	C17	90.0°	90.0°
N15	C14	C4	H2	90.0°	92.7°
C14	N15	C16	H5	90.0°	150.0°
C14	N15	C16	H6	90.0°	30.0°
N15	C14	H12	H13	90.0°	122.0°
C16	N15	C14	C4	90.0°	163.0°
N15	C16	C17	H5	90.0°	120.0°
N15	C16	C17	H6	90.0°	120.0°
N15	C16	C17	C22	90.0°	80.0°
N15	C16	C17	C18	90.0°	99.7°
N15	C16	H5	H6	90.0°	120.0°
C16	N15	C14	H12	90.0°	78.0°
C16	N15	C14	H13	90.0°	43.9°
C14	C4	C3	H3	90.0°	93.9°
C14	C4	C3	H4	90.0°	143.5°
C4	C14	H12	H13	90.0°	121.9°
C16	C17	C22	C23	90.0°	0.1°
C16	C17	C22	C18	90.0°	179.7°
C16	C17	C22	C21	90.0°	180.0°
C16	C17	C18	C19	90.0°	180.0°
C17	C16	H5	H6	90.0°	120.0°
C16	C17	C18	H7	90.0°	0.0°
C23	C22	C17	C21	90.0°	179.9°
C23	C22	C17	C18	90.0°	179.8°
C23	C22	C21	N20	90.0°	180.0°
C22	C23	H8	H9	90.0°	120.0°
C22	C23	H8	H10	90.0°	120.0°
C22	C23	H9	H10	90.0°	120.0°
C23	C22	C21	H15	90.0°	0.2°
C22	C17	C18	C19	90.0°	0.3°
C17	C22	C21	N20	90.0°	0.0°
C22	C17	C16	H5	90.0°	160.1°
C22	C17	C16	H6	90.0°	40.1°
C22	C17	C18	H7	90.0°	179.6°
C17	C22	C23	H8	90.0°	89.9°
C17	C22	C23	H9	90.0°	150.1°
C17	C22	C23	H10	90.0°	30.1°
C17	C22	C21	H15	90.0°	179.7°
C18	C17	C22	C21	90.0°	0.3°
C17	C18	C19	H7	90.0°	179.9°
C17	C18	C19	N20	90.0°	0.0°
C18	C17	C16	H5	90.0°	20.3°
C18	C17	C16	H6	90.0°	140.3°
C17	C18	C19	H14	90.0°	180.0°
C22	C21	N20	H15	90.0°	179.7°
C22	C21	N20	C19	90.0°	0.3°
C21	C22	C23	H8	90.0°	90.0°
C21	C22	C23	H9	90.0°	30.0°
C21	C22	C23	H10	90.0°	150.0°
C18	C19	N20	C21	90.0°	0.3°
C18	C19	N20	H14	90.0°	180.0°
C21	N20	C19	H14	90.0°	179.7°
N20	C19	C18	H7	90.0°	179.9°
C19	N20	C21	H15	90.0°	180.0°
H2	C4	C3	H3	90.0°	147.9°
H2	C4	C3	H4	90.0°	25.3°
H2	C4	C14	H12	90.0°	148.3°
H2	C4	C14	H13	90.0°	26.4°
H7	C18	C19	H14	90.0°	0.1°
H8	C23	H9	H10	90.0°	120.0°

Release date:	2025-09-10
Definition date:	2025-05-12
Last modified:	2025-09-05
Release status:	REL
Processing site:	RCSB