A1BIP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F1	C1	sing	1.35Å	1.36Å
C1	C2	doub	1.36Å	1.37Å	Aromatic
C2	C3	sing	1.41Å	1.41Å	Aromatic
C3	N1	doub	1.33Å	1.33Å	Aromatic
N1	C4	sing	1.34Å	1.37Å	Aromatic
C4	C5	sing	1.48Å	1.48Å
C5	C6	doub	1.39Å	1.40Å	Aromatic
C6	C7	sing	1.38Å	1.38Å	Aromatic
C7	C8	doub	1.39Å	1.37Å	Aromatic
C8	F2	sing	1.35Å	1.36Å
C8	C9	sing	1.39Å	1.37Å	Aromatic
C9	C10	doub	1.38Å	1.38Å	Aromatic
C4	C11	doub	1.39Å	1.38Å	Aromatic
C11	C12	sing	1.47Å	1.48Å
C12	C13	doub	1.40Å	1.39Å	Aromatic
C13	C14	sing	1.38Å	1.38Å	Aromatic
C14	N2	doub	1.32Å	1.33Å	Aromatic
N2	C15	sing	1.32Å	1.33Å	Aromatic
C15	C16	doub	1.38Å	1.38Å	Aromatic
C11	N3	sing	1.38Å	1.40Å	Aromatic
N3	C17	sing	1.36Å	1.38Å	Aromatic
C17	C18	doub	1.35Å	1.35Å	Aromatic
C1	C18	sing	1.41Å	1.37Å	Aromatic
C3	N3	sing	1.37Å	1.39Å	Aromatic
C5	C10	sing	1.39Å	1.40Å	Aromatic
C12	C16	sing	1.40Å	1.39Å	Aromatic
C10	H5	sing	1.08Å	1.08Å
C13	H6	sing	1.08Å	1.08Å
C14	H7	sing	1.08Å	1.08Å
C15	H8	sing	1.08Å	1.08Å
C16	H9	sing	1.08Å	1.08Å
C17	H10	sing	1.08Å	1.08Å
C18	H11	sing	1.08Å	1.08Å
C2	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C9	H4	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F1	C1	C2	118.3°	120.2°
F1	C1	C18	118.9°	120.2°
C1	C2	C3	117.7°	119.4°
C2	C1	C18	122.8°	119.6°
C1	C2	H1	121.2°	120.3°
C2	C3	N1	131.3°	131.7°
C2	C3	N3	118.5°	119.5°
C3	C2	H1	121.1°	120.3°
C3	N1	C4	106.9°	109.6°
N1	C3	N3	110.2°	108.8°
N1	C4	C5	119.4°	126.0°
N1	C4	C11	110.5°	107.9°
C4	C5	C6	120.9°	120.1°
C5	C4	C11	130.1°	126.1°
C4	C5	C10	120.9°	120.0°
C5	C6	C7	121.0°	119.9°
C6	C5	C10	118.2°	119.8°
C5	C6	H2	119.5°	120.1°
C6	C7	C8	118.3°	120.1°
C7	C6	H2	119.5°	120.0°
C6	C7	H3	120.8°	119.9°
C7	C8	F2	118.5°	119.9°
C7	C8	C9	123.0°	120.2°
C8	C7	H3	120.9°	120.0°
F2	C8	C9	118.5°	119.9°
C8	C9	C10	118.4°	120.1°
C8	C9	H4	120.8°	119.9°
C9	C10	C5	121.0°	119.9°
C9	C10	H5	119.5°	120.1°
C10	C9	H4	120.8°	120.0°
C4	C11	C12	130.3°	126.7°
C4	C11	N3	105.6°	106.6°
C11	C12	C13	121.1°	121.0°
C12	C11	N3	124.0°	126.7°
C11	C12	C16	120.9°	120.9°
C12	C13	C14	118.7°	119.0°
C13	C12	C16	117.9°	118.1°
C12	C13	H6	120.6°	120.5°
C13	C14	N2	123.9°	121.0°
C14	C13	H6	120.7°	120.5°
C13	C14	H7	118.0°	119.5°
C14	N2	C15	116.9°	122.0°
N2	C14	H7	118.1°	119.5°
N2	C15	C16	123.9°	121.0°
N2	C15	H8	118.1°	119.5°
C15	C16	C12	118.7°	118.9°
C16	C15	H8	118.0°	119.5°
C15	C16	H9	120.7°	120.5°
C11	N3	C17	131.6°	132.3°
C11	N3	C3	106.8°	107.1°
N3	C17	C18	119.7°	120.7°
C17	N3	C3	121.6°	120.6°
N3	C17	H10	120.1°	119.6°
C17	C18	C1	119.7°	120.2°
C18	C17	H10	120.1°	119.7°
C17	C18	H11	120.2°	119.9°
C1	C18	H11	120.2°	119.9°
C5	C10	H5	119.5°	120.1°
C12	C16	H9	120.7°	120.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F1	C1	C2	C18	179.9°	179.7°
F1	C1	C2	C3	180.0°	179.7°
F1	C1	C18	C17	179.9°	179.8°
F1	C1	C18	H11	0.1°	0.4°
F1	C1	C2	H1	0.0°	0.3°
C1	C2	C3	H1	180.0°	180.0°
C1	C2	C3	N1	179.6°	180.0°
C2	C1	C18	C17	0.0°	0.1°
C1	C2	C3	N3	0.2°	0.0°
C2	C1	C18	H11	180.0°	180.0°
C2	C3	N1	N3	179.4°	180.0°
C2	C3	N1	C4	179.9°	180.0°
C2	C3	N3	C11	179.5°	180.0°
C2	C3	N3	C17	0.0°	0.0°
C3	C2	C1	C18	0.2°	0.1°
C3	N1	C4	C5	179.6°	180.0°
C3	N1	C4	C11	0.1°	0.0°
N1	C3	N3	C11	1.0°	0.0°
N1	C3	N3	C17	179.5°	180.0°
N1	C3	C2	H1	0.4°	0.0°
N1	C4	C5	C11	179.6°	180.0°
N1	C4	C5	C6	142.7°	35.0°
N1	C4	C11	C12	178.5°	180.0°
N1	C4	C11	N3	0.5°	0.0°
C4	N1	C3	N3	0.7°	0.0°
N1	C4	C5	C10	37.7°	145.0°
C4	C5	C6	C10	179.6°	180.0°
C4	C5	C6	C7	179.9°	180.0°
C4	C5	C10	C9	179.9°	179.8°
C5	C4	C11	C12	1.9°	0.0°
C5	C4	C11	N3	179.9°	180.0°
C4	C5	C10	H5	0.1°	0.0°
C4	C5	C6	H2	0.1°	0.0°
C5	C6	C7	H2	180.0°	180.0°
C5	C6	C7	C8	0.5°	0.0°
C6	C5	C10	C9	0.3°	0.2°
C6	C5	C4	C11	36.9°	145.0°
C6	C5	C10	H5	179.7°	180.0°
C5	C6	C7	H3	179.5°	180.0°
C6	C7	C8	H3	180.0°	180.0°
C6	C7	C8	F2	179.8°	180.0°
C6	C7	C8	C9	0.3°	0.3°
C7	C6	C5	C10	0.5°	0.0°
C7	C8	F2	C9	180.0°	179.7°
C7	C8	C9	C10	0.1°	0.5°
C8	C7	C6	H2	179.4°	180.0°
C7	C8	C9	H4	179.9°	180.0°
F2	C8	C9	C10	180.0°	179.8°
F2	C8	C7	H3	0.2°	0.0°
F2	C8	C9	H4	0.1°	0.3°
C8	C9	C10	H4	180.0°	179.5°
C8	C9	C10	C5	0.1°	0.5°
C8	C9	C10	H5	179.9°	179.8°
C9	C8	C7	H3	179.7°	179.7°
C9	C10	C5	H5	180.0°	179.7°
C4	C11	C12	N3	177.7°	180.0°
C4	C11	C12	C13	137.7°	45.0°
C4	C11	N3	C17	179.7°	180.0°
C4	C11	N3	C3	0.8°	0.0°
C11	C4	C5	C10	142.7°	35.0°
C4	C11	C12	C16	44.3°	134.7°
C11	C12	C13	C16	178.1°	179.7°
C11	C12	C13	C14	179.6°	180.0°
C11	C12	C16	C15	179.6°	180.0°
C12	C11	N3	C17	1.5°	0.0°
C12	C11	N3	C3	179.0°	180.0°
C11	C12	C13	H6	0.4°	0.1°
C11	C12	C16	H9	0.4°	0.1°
C12	C13	C14	H6	180.0°	179.9°
C12	C13	C14	N2	0.8°	0.0°
C13	C12	C16	C15	1.5°	0.4°
C13	C12	C11	N3	44.7°	135.0°
C12	C13	C14	H7	179.2°	179.9°
C13	C12	C16	H9	178.6°	179.7°
C13	C14	N2	H7	180.0°	179.9°
C13	C14	N2	C15	0.0°	0.3°
C14	C13	C12	C16	1.5°	0.3°
C14	N2	C15	C16	0.0°	0.2°
N2	C14	C13	H6	179.2°	179.9°
C14	N2	C15	H8	180.0°	179.7°
N2	C15	C16	H8	180.0°	179.9°
N2	C15	C16	C12	0.7°	0.1°
C15	N2	C14	H7	180.0°	179.8°
N2	C15	C16	H9	179.3°	180.0°
C15	C16	C12	H9	180.0°	179.9°
C11	N3	C17	C3	179.4°	180.0°
C11	N3	C17	C18	179.3°	180.0°
N3	C11	C12	C16	133.4°	45.3°
C11	N3	C17	H10	0.7°	0.0°
N3	C17	C18	H10	180.0°	180.0°
N3	C17	C18	C1	0.1°	0.1°
N3	C17	C18	H11	179.9°	179.9°
C17	C18	C1	H11	180.0°	179.9°
C18	C17	N3	C3	0.2°	0.0°
C1	C18	C17	H10	179.9°	180.0°
C18	C1	C2	H1	179.8°	180.0°
C3	N3	C17	H10	179.9°	180.0°
N3	C3	C2	H1	179.8°	180.0°
C10	C5	C6	H2	179.4°	180.0°
C5	C10	C9	H4	179.9°	180.0°
C16	C12	C13	H6	178.5°	179.7°
C12	C16	C15	H8	179.3°	180.0°
H5	C10	C9	H4	0.1°	0.2°
H6	C13	C14	H7	0.8°	0.0°
H8	C15	C16	H9	0.7°	0.1°
H10	C17	C18	H11	0.1°	0.1°
H2	C6	C7	H3	0.5°	0.0°

Release date:	2025-01-08
Definition date:	2024-12-01
Last modified:	2025-01-03
Release status:	REL
Processing site:	RCSB
Derived from:	9EDW