A1BRB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL29	C28	sing	1.74Å	1.73Å
N9	C10	doub	1.32Å	1.35Å	Aromatic
N9	C8	sing	1.32Å	1.35Å	Aromatic
C10	C11	sing	1.38Å	1.38Å	Aromatic
C8	C7	doub	1.38Å	1.38Å	Aromatic
C11	N12	doub	1.32Å	1.35Å	Aromatic
F22	C21	sing	1.40Å	1.37Å
C6	C4	sing	1.53Å	1.52Å
C6	C5	sing	1.53Å	1.50Å
C30	C28	doub	1.38Å	1.39Å	Aromatic
C30	C24	sing	1.38Å	1.39Å	Aromatic
C28	C27	sing	1.38Å	1.40Å	Aromatic
C7	N12	sing	1.32Å	1.35Å	Aromatic
C7	C4	sing	1.51Å	1.49Å
C17	N18	doub	1.32Å	1.36Å	Aromatic
C17	C16	sing	1.40Å	1.39Å	Aromatic
N18	C13	sing	1.33Å	1.35Å	Aromatic
N3	C4	sing	1.47Å	1.44Å
N3	C2	sing	1.35Å	1.38Å
C4	C5	sing	1.53Å	1.52Å
O19	C16	sing	1.36Å	1.38Å
O19	C20	sing	1.43Å	1.43Å
C21	C24	sing	1.51Å	1.48Å
C21	F23	sing	1.40Å	1.36Å
C21	C20	sing	1.53Å	1.52Å
C24	C25	doub	1.38Å	1.40Å	Aromatic
C27	C26	doub	1.38Å	1.40Å	Aromatic
C16	N15	doub	1.33Å	1.35Å	Aromatic
C13	C2	sing	1.48Å	1.47Å
C13	C14	doub	1.39Å	1.39Å	Aromatic
C2	O1	doub	1.22Å	1.22Å
C25	C26	sing	1.38Å	1.40Å	Aromatic
N15	C14	sing	1.32Å	1.36Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C11	H2	sing	1.08Å	1.08Å
C14	H3	sing	1.08Å	1.08Å
C17	H4	sing	1.08Å	1.08Å
C20	H5	sing	1.09Å	1.10Å
C20	H6	sing	1.09Å	1.10Å
C25	H7	sing	1.08Å	1.08Å
C26	H8	sing	1.08Å	1.08Å
C27	H9	sing	1.08Å	1.08Å
C30	H10	sing	1.08Å	1.08Å
C5	H11	sing	1.09Å	1.10Å
C5	H12	sing	1.09Å	1.10Å
C6	H13	sing	1.09Å	1.10Å
C6	H14	sing	1.09Å	1.10Å
C8	H15	sing	1.08Å	1.08Å
N3	H16	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL29	C28	C30	117.9°	120.0°
CL29	C28	C27	121.3°	120.0°
C10	N9	C8	115.6°	120.0°
N9	C10	C11	122.0°	120.0°
N9	C10	H1	119.0°	120.1°
N9	C8	C7	122.5°	120.0°
N9	C8	H15	118.7°	120.0°
C10	C11	N12	122.4°	120.0°
C11	C10	H1	119.0°	120.0°
C10	C11	H2	118.8°	120.0°
C8	C7	N12	121.7°	120.0°
C8	C7	C4	120.8°	120.0°
C7	C8	H15	118.7°	120.0°
C11	N12	C7	115.8°	120.0°
N12	C11	H2	118.8°	120.0°
F22	C21	C24	113.0°	109.5°
F22	C21	F23	107.5°	109.5°
F22	C21	C20	108.5°	109.5°
C4	C6	C5	60.7°	60.0°
C6	C4	C7	113.7°	117.5°
C6	C4	N3	118.9°	117.5°
C6	C4	C5	59.0°	60.0°
C4	C6	H13	119.9°	117.5°
C4	C6	H14	119.9°	117.5°
C6	C5	C4	60.4°	60.0°
C6	C5	H11	119.9°	117.5°
C6	C5	H12	119.9°	117.6°
C5	C6	H13	119.9°	117.4°
C5	C6	H14	119.9°	117.5°
C28	C30	C24	120.1°	119.9°
C30	C28	C27	120.8°	120.0°
C28	C30	H10	120.0°	120.0°
C30	C24	C21	119.2°	119.9°
C30	C24	C25	119.9°	120.0°
C24	C30	H10	120.0°	120.0°
C28	C27	C26	118.6°	120.0°
C28	C27	H9	120.7°	120.0°
N12	C7	C4	117.5°	120.0°
C7	C4	N3	117.0°	115.6°
C7	C4	C5	114.6°	117.6°
N18	C17	C16	121.6°	120.0°
C17	N18	C13	116.3°	120.0°
N18	C17	H4	119.2°	120.0°
C17	C16	O19	118.3°	120.0°
C17	C16	N15	121.8°	120.1°
C16	C17	H4	119.2°	120.0°
N18	C13	C2	117.3°	120.0°
N18	C13	C14	122.4°	120.0°
C4	N3	C2	119.8°	120.0°
N3	C4	C5	120.9°	117.5°
C4	N3	H16	120.1°	120.0°
N3	C2	C13	115.4°	120.0°
N3	C2	O1	124.7°	120.0°
C2	N3	H16	120.1°	120.0°
C4	C5	H11	119.9°	117.4°
C4	C5	H12	119.9°	117.5°
C16	O19	C20	109.4°	117.0°
O19	C16	N15	119.9°	119.9°
O19	C20	C21	112.3°	109.5°
O19	C20	H5	108.7°	109.5°
O19	C20	H6	108.8°	109.5°
C24	C21	F23	110.9°	109.4°
C24	C21	C20	108.1°	109.5°
C21	C24	C25	121.0°	120.1°
F23	C21	C20	108.8°	109.4°
C21	C20	H5	108.7°	109.5°
C21	C20	H6	108.7°	109.4°
C24	C25	C26	119.9°	120.1°
C24	C25	H7	120.0°	120.0°
C27	C26	C25	120.7°	120.0°
C27	C26	H8	119.6°	120.0°
C26	C27	H9	120.7°	120.0°
C16	N15	C14	116.8°	120.0°
C2	C13	C14	120.3°	120.0°
C13	C2	O1	119.9°	120.0°
C13	C14	N15	121.0°	119.9°
C13	C14	H3	119.5°	120.1°
C26	C25	H7	120.1°	120.0°
C25	C26	H8	119.6°	120.0°
N15	C14	H3	119.5°	120.0°
H5	C20	H6	109.5°	109.5°
H11	C5	H12	109.5°	115.6°
H13	C6	H14	109.5°	115.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL29	C28	C30	C27	179.3°	179.7°
CL29	C28	C30	C24	179.4°	179.7°
CL29	C28	C27	C26	180.0°	180.0°
CL29	C28	C27	H9	0.0°	0.1°
CL29	C28	C30	H10	0.6°	0.3°
N9	C10	C11	H1	180.0°	179.8°
C10	N9	C8	C7	0.2°	0.6°
N9	C10	C11	N12	0.6°	0.2°
N9	C10	C11	H2	179.4°	179.7°
C10	N9	C8	H15	179.8°	179.7°
C8	N9	C10	C11	0.3°	0.0°
N9	C8	C7	H15	180.0°	179.1°
N9	C8	C7	N12	0.5°	0.9°
N9	C8	C7	C4	179.4°	179.7°
C8	N9	C10	H1	179.7°	179.7°
C10	C11	N12	H2	180.0°	179.9°
C10	C11	N12	C7	0.8°	0.1°
C8	C7	N12	C11	0.7°	0.6°
C8	C7	C4	C6	142.0°	177.4°
C8	C7	N12	C4	179.0°	179.4°
C8	C7	C4	N3	2.7°	31.8°
C8	C7	C4	C5	152.7°	113.9°
C11	N12	C7	C4	179.7°	180.0°
N12	C11	C10	H1	179.4°	180.0°
F22	C21	C24	C30	26.3°	30.3°
F22	C21	C20	O19	45.0°	180.0°
F22	C21	C24	F23	120.8°	120.0°
F22	C21	C24	C20	120.0°	120.1°
F22	C21	F23	C20	117.2°	120.0°
F22	C21	C24	C25	153.8°	150.0°
F22	C21	C20	H5	75.4°	59.9°
F22	C21	C20	H6	165.5°	60.0°
C4	C6	C5	H13	109.7°	107.5°
C4	C6	C5	H14	109.6°	107.5°
C6	C4	C7	N12	37.0°	3.2°
C6	C4	C7	N3	144.6°	145.6°
C6	C4	C7	C5	65.3°	68.7°
C6	C4	N3	C5	69.1°	68.6°
C6	C4	N3	C2	126.1°	126.1°
C4	C6	C5	H11	109.6°	107.4°
C4	C6	C5	H12	109.6°	107.5°
C4	C6	H13	H14	144.4°	145.7°
C6	C4	N3	H16	53.9°	54.0°
C6	C5	H11	H12	144.5°	145.8°
C5	C6	H13	H14	144.4°	145.7°
C28	C30	C24	H10	180.0°	179.4°
C28	C30	C24	C21	179.3°	179.7°
C28	C30	C24	C25	0.6°	0.6°
C30	C28	C27	C26	0.7°	0.3°
C30	C28	C27	H9	179.3°	179.8°
C24	C30	C28	C27	0.0°	0.6°
C30	C24	C21	C25	179.9°	179.7°
C30	C24	C21	F23	147.1°	150.3°
C30	C24	C21	C20	93.7°	89.8°
C30	C24	C25	C26	0.6°	0.3°
C30	C24	C25	H7	179.4°	179.8°
C28	C27	C26	H9	180.0°	179.9°
C28	C27	C26	C25	0.7°	0.1°
C28	C27	C26	H8	179.4°	180.0°
C27	C28	C30	H10	180.0°	180.0°
N12	C7	C4	N3	178.4°	148.8°
N12	C7	C4	C5	28.3°	65.5°
C7	N12	C11	H2	179.2°	180.0°
N12	C7	C8	H15	179.5°	180.0°
C7	C4	N3	C5	148.1°	145.8°
C7	C4	N3	C2	91.1°	88.3°
C7	C4	C5	H11	146.5°	0.0°
C7	C4	C5	H12	5.6°	145.0°
C7	C4	C6	H13	144.9°	145.0°
C7	C4	C6	H14	4.2°	0.1°
C4	C7	C8	H15	0.6°	0.7°
C7	C4	N3	H16	88.9°	91.7°
N18	C17	C16	H4	180.0°	180.0°
N18	C17	C16	O19	179.4°	180.0°
N18	C17	C16	N15	0.6°	0.2°
C17	N18	C13	C2	179.8°	180.0°
C17	N18	C13	C14	0.2°	0.2°
C16	C17	N18	C13	0.0°	0.0°
C17	C16	O19	N15	179.9°	179.8°
C17	C16	O19	C20	153.2°	179.8°
C17	C16	N15	C14	1.1°	0.2°
N18	C13	C2	N3	7.7°	0.3°
N18	C13	C2	C14	180.0°	179.7°
N18	C13	C2	O1	173.3°	179.7°
N18	C13	C14	N15	0.3°	0.2°
N18	C13	C14	H3	179.7°	179.7°
C13	N18	C17	H4	180.0°	180.0°
C4	N3	C2	H16	180.0°	179.9°
C4	N3	C2	C13	179.8°	175.1°
C4	N3	C2	O1	0.9°	4.9°
N3	C4	C5	H11	2.3°	145.1°
N3	C4	C5	H12	143.2°	0.1°
N3	C4	C6	H13	1.0°	0.1°
N3	C4	C6	H14	139.7°	145.0°
C2	N3	C4	C5	57.0°	57.5°
N3	C2	C13	O1	179.0°	180.0°
N3	C2	C13	C14	172.3°	180.0°
C4	C5	H11	H12	144.5°	145.6°
C5	C4	N3	H16	123.0°	122.6°
C16	O19	C20	C21	88.6°	180.0°
O19	C16	N15	C14	179.0°	180.0°
O19	C16	C17	H4	0.6°	0.0°
C16	O19	C20	H5	151.0°	60.0°
C16	O19	C20	H6	31.8°	60.0°
O19	C20	C21	C24	77.8°	59.9°
O19	C20	C21	F23	161.7°	60.0°
O19	C20	C21	H5	120.4°	120.1°
O19	C20	C21	H6	120.4°	120.0°
C20	O19	C16	N15	26.8°	0.0°
O19	C20	H5	H6	118.7°	120.0°
C24	C21	F23	C20	118.7°	120.0°
C21	C24	C25	C26	179.3°	180.0°
C24	C21	C20	H5	161.8°	180.0°
C24	C21	C20	H6	42.6°	60.0°
C21	C24	C25	H7	0.7°	0.1°
C21	C24	C30	H10	0.7°	0.3°
F23	C21	C24	C25	32.9°	30.0°
F23	C21	C20	H5	41.3°	60.1°
F23	C21	C20	H6	77.9°	180.0°
C20	C21	C24	C25	86.2°	89.9°
C21	C20	H5	H6	118.7°	119.9°
C24	C25	C26	C27	0.0°	0.0°
C24	C25	C26	H7	180.0°	180.0°
C24	C25	C26	H8	180.0°	180.0°
C25	C24	C30	H10	179.4°	180.0°
C27	C26	C25	H8	180.0°	180.0°
C27	C26	C25	H7	180.0°	180.0°
C16	N15	C14	C13	0.9°	0.0°
C16	N15	C14	H3	179.1°	179.9°
N15	C16	C17	H4	179.4°	179.8°
C2	C13	C14	N15	179.7°	180.0°
C2	C13	C14	H3	0.3°	0.0°
C13	C2	N3	H16	0.2°	4.8°
C14	C13	C2	O1	6.7°	0.0°
C13	C14	N15	H3	180.0°	179.9°
O1	C2	N3	H16	179.1°	175.2°
C25	C26	C27	H9	179.4°	179.9°
H1	C10	C11	H2	0.6°	0.1°
H7	C25	C26	H8	0.0°	0.0°
H8	C26	C27	H9	0.6°	0.1°
H11	C5	C6	H13	0.1°	145.1°
H11	C5	C6	H14	140.8°	0.0°
H12	C5	C6	H13	140.8°	0.0°
H12	C5	C6	H14	0.1°	145.0°

Release date:	2025-03-05
Definition date:	2025-01-14
Last modified:	2025-02-28
Release status:	REL
Processing site:	RCSB
Derived from:	9MUM