A1CAP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C16	doub	1.21Å	1.25Å
O4	C16	sing	1.35Å	1.27Å
C16	C15	sing	1.47Å	1.51Å
F1	C9	sing	1.40Å	1.32Å
F2	C9	sing	1.40Å	1.33Å
C15	C14	doub	1.40Å	1.40Å	Aromatic
C15	C10	sing	1.40Å	1.41Å	Aromatic
C9	O2	sing	1.43Å	1.34Å
C9	F3	sing	1.40Å	1.33Å
C14	C13	sing	1.38Å	1.38Å	Aromatic
N2	C10	sing	1.39Å	1.41Å
N2	C1	sing	1.35Å	1.34Å
O2	C8	sing	1.36Å	1.43Å
C10	C11	doub	1.39Å	1.40Å	Aromatic
C2	C1	sing	1.51Å	1.51Å
C2	N1	sing	1.47Å	1.44Å
C1	O1	doub	1.21Å	1.23Å
C13	C12	doub	1.39Å	1.38Å	Aromatic
C8	C7	doub	1.38Å	1.39Å	Aromatic
C8	C3	sing	1.39Å	1.40Å	Aromatic
N1	C3	sing	1.40Å	1.39Å
C11	C12	sing	1.38Å	1.38Å	Aromatic
C7	C6	sing	1.38Å	1.38Å	Aromatic
C3	C4	doub	1.39Å	1.39Å	Aromatic
C6	C5	doub	1.38Å	1.37Å	Aromatic
C4	C5	sing	1.38Å	1.38Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C13	H11	sing	1.08Å	1.08Å
C2	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C12	H10	sing	1.08Å	1.08Å
C11	H9	sing	1.08Å	1.08Å
C14	H12	sing	1.08Å	1.08Å
N1	H3	sing	0.97Å	1.00Å
N2	H8	sing	0.97Å	1.00Å
O4	H13	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C16	O4	123.8°	120.0°
O3	C16	C15	115.2°	120.0°
O4	C16	C15	121.0°	120.0°
C16	O4	H13	109.5°	117.0°
C16	C15	C14	117.9°	120.2°
C16	C15	C10	123.4°	120.2°
F1	C9	F2	105.9°	109.5°
F1	C9	O2	111.1°	109.5°
F1	C9	F3	106.6°	109.5°
F2	C9	O2	111.5°	109.5°
F2	C9	F3	107.5°	109.5°
C14	C15	C10	118.7°	119.6°
C15	C14	C13	121.3°	119.9°
C15	C14	H12	119.3°	120.1°
C15	C10	N2	120.3°	120.1°
C15	C10	C11	119.1°	119.7°
O2	C9	F3	113.8°	109.4°
C9	O2	C8	120.0°	117.0°
C14	C13	C12	119.8°	120.4°
C14	C13	H11	120.1°	119.8°
C13	C14	H12	119.4°	120.0°
C10	N2	C1	120.7°	120.0°
N2	C10	C11	120.5°	120.2°
C10	N2	H8	119.6°	120.0°
N2	C1	C2	115.7°	120.0°
N2	C1	O1	123.3°	120.0°
C1	N2	H8	119.6°	120.0°
O2	C8	C7	122.0°	120.1°
O2	C8	C3	118.1°	120.1°
C10	C11	C12	120.5°	120.0°
C10	C11	H9	119.8°	120.0°
C1	C2	N1	105.1°	109.5°
C2	C1	O1	120.7°	120.0°
C1	C2	H1	110.6°	109.5°
C1	C2	H2	110.6°	109.5°
C2	N1	C3	128.7°	120.0°
N1	C2	H1	110.6°	109.4°
N1	C2	H2	110.6°	109.5°
C2	N1	H3	104.5°	120.0°
C13	C12	C11	120.5°	120.4°
C12	C13	H11	120.1°	119.8°
C13	C12	H10	119.7°	119.8°
C7	C8	C3	119.9°	119.8°
C8	C7	C6	119.9°	120.0°
C8	C7	H7	120.0°	120.0°
C8	C3	N1	119.1°	120.1°
C8	C3	C4	119.0°	119.8°
N1	C3	C4	121.9°	120.1°
C3	N1	H3	104.5°	120.0°
C11	C12	H10	119.8°	119.8°
C12	C11	H9	119.7°	120.0°
C7	C6	C5	120.5°	120.2°
C7	C6	H6	119.8°	119.9°
C6	C7	H7	120.0°	120.0°
C3	C4	C5	120.3°	120.0°
C3	C4	H4	119.8°	120.1°
C6	C5	C4	120.3°	120.1°
C6	C5	H5	119.9°	120.0°
C5	C6	H6	119.7°	119.9°
C5	C4	H4	119.8°	120.0°
C4	C5	H5	119.9°	119.9°
H1	C2	H2	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C16	O4	C15	178.0°	180.0°
O3	C16	C15	C14	13.1°	174.7°
O3	C16	C15	C10	163.6°	5.2°
O3	C16	O4	H13	0.0°	0.1°
O4	C16	C15	C14	165.1°	5.3°
O4	C16	C15	C10	18.2°	174.8°
C16	C15	C14	C10	176.9°	180.0°
C16	C15	C14	C13	179.0°	179.4°
C16	C15	C10	N2	0.3°	0.2°
C16	C15	C10	C11	176.7°	180.0°
C16	C15	C14	H12	1.0°	0.2°
C15	C16	O4	H13	178.0°	179.9°
F1	C9	F2	O2	121.0°	120.0°
F1	C9	F2	F3	113.6°	120.1°
F1	C9	O2	F3	120.3°	120.0°
F1	C9	O2	C8	97.1°	180.0°
F2	C9	O2	F3	121.8°	120.0°
F2	C9	O2	C8	145.0°	60.0°
C15	C14	C13	H12	180.0°	179.2°
C14	C15	C10	N2	176.4°	179.7°
C14	C15	C10	C11	0.0°	0.1°
C15	C14	C13	C12	2.0°	0.9°
C15	C14	C13	H11	178.0°	179.3°
C10	C15	C14	C13	2.1°	0.6°
C15	C10	N2	C11	176.3°	179.8°
C15	C10	N2	C1	165.8°	154.5°
C15	C10	C11	C12	2.3°	0.2°
C15	C10	C11	H9	177.7°	179.8°
C10	C15	C14	H12	177.9°	179.8°
C15	C10	N2	H8	14.2°	25.5°
C9	O2	C8	C7	3.1°	0.0°
C9	O2	C8	C3	174.4°	179.8°
F3	C9	O2	C8	23.2°	60.0°
C14	C13	C12	H11	180.0°	179.9°
C14	C13	C12	C11	0.2°	0.6°
C14	C13	C12	H10	179.8°	180.0°
C10	N2	C1	H8	180.0°	180.0°
C10	N2	C1	C2	168.1°	174.4°
C10	N2	C1	O1	5.9°	5.5°
N2	C10	C11	C12	178.6°	180.0°
N2	C10	C11	H9	1.4°	0.0°
C1	N2	C10	C11	10.5°	25.3°
N2	C1	C2	O1	174.2°	179.9°
N2	C1	C2	N1	147.3°	180.0°
N2	C1	C2	H1	93.3°	60.1°
N2	C1	C2	H2	28.0°	60.0°
O2	C8	C7	C3	177.5°	179.8°
O2	C8	C3	N1	1.8°	0.2°
O2	C8	C7	C6	178.9°	180.0°
O2	C8	C3	C4	179.6°	179.7°
O2	C8	C7	H7	1.1°	0.0°
C10	C11	C12	C13	2.4°	0.0°
C10	C11	C12	H9	180.0°	180.0°
C10	C11	C12	H10	177.6°	179.5°
C11	C10	N2	H8	169.5°	154.8°
C1	C2	N1	H1	119.3°	120.0°
C1	C2	N1	H2	119.3°	120.1°
C1	C2	N1	C3	132.5°	180.0°
C1	C2	H1	H2	122.0°	120.0°
C1	C2	N1	H3	104.9°	0.0°
C2	C1	N2	H8	11.9°	5.6°
N1	C2	C1	O1	26.8°	0.0°
C2	N1	C3	C8	17.9°	180.0°
C2	N1	C3	H3	122.5°	179.9°
C2	N1	C3	C4	164.4°	0.5°
N1	C2	H1	H2	122.0°	120.0°
O1	C1	C2	H1	92.5°	120.0°
O1	C1	C2	H2	146.2°	120.0°
O1	C1	N2	H8	174.1°	174.4°
C13	C12	C11	H10	180.0°	179.4°
C13	C12	C11	H9	177.6°	180.0°
C12	C13	C14	H12	178.0°	179.9°
C7	C8	C3	N1	179.4°	180.0°
C8	C7	C6	H7	180.0°	180.0°
C7	C8	C3	C4	2.9°	0.5°
C8	C7	C6	C5	0.2°	0.0°
C8	C7	C6	H6	179.8°	180.0°
C8	C3	N1	C4	177.7°	179.5°
C3	C8	C7	C6	1.4°	0.3°
C8	C3	C4	C5	3.2°	0.5°
C8	C3	C4	H4	176.8°	179.7°
C3	C8	C7	H7	178.6°	179.8°
C8	C3	N1	H3	104.6°	0.0°
N1	C3	C4	C5	179.2°	180.0°
N1	C3	C4	H4	0.8°	0.3°
C3	N1	C2	H1	13.2°	60.0°
C3	N1	C2	H2	108.2°	59.9°
C11	C12	C13	H11	179.7°	179.6°
C7	C6	C5	H6	180.0°	180.0°
C7	C6	C5	C4	0.5°	0.1°
C7	C6	C5	H5	179.5°	180.0°
C3	C4	C5	C6	2.0°	0.2°
C3	C4	C5	H4	180.0°	179.8°
C3	C4	C5	H5	178.0°	179.7°
C4	C3	N1	H3	73.1°	179.5°
C6	C5	C4	H5	180.0°	180.0°
C6	C5	C4	H4	178.0°	180.0°
C5	C6	C7	H7	179.8°	179.9°
C4	C5	C6	H6	179.6°	180.0°
H4	C4	C5	H5	2.0°	0.0°
H5	C5	C6	H6	0.5°	0.0°
H6	C6	C7	H7	0.2°	0.1°
H11	C13	C12	H10	0.2°	0.1°
H11	C13	C14	H12	2.0°	0.1°
H1	C2	N1	H3	135.7°	120.0°
H2	C2	N1	H3	14.4°	120.0°
H10	C12	C11	H9	2.4°	0.5°

Release date:	2026-11-04
Definition date:	2025-04-24
Last modified:	2026-10-30
Release status:	REL
Processing site:	RCSB
Derived from:	9OCA