A1BI5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.50Å
C2	C3	sing	1.55Å	1.54Å
C2	O6	sing	1.44Å	1.48Å
C3	C4	sing	1.52Å	1.50Å
O6	C5	sing	1.36Å	1.38Å
C4	C5	doub	1.39Å	1.38Å	Aromatic
C4	C19	sing	1.37Å	1.39Å	Aromatic
C5	C7	sing	1.39Å	1.38Å	Aromatic
C19	C9	doub	1.40Å	1.39Å	Aromatic
C7	C8	doub	1.38Å	1.39Å	Aromatic
C9	C8	sing	1.40Å	1.40Å	Aromatic
C9	C10	sing	1.48Å	1.48Å
C11	C10	doub	1.38Å	1.38Å	Aromatic
C11	C12	sing	1.39Å	1.40Å	Aromatic
C10	N14	sing	1.37Å	1.39Å	Aromatic
C12	N13	doub	1.32Å	1.32Å	Aromatic
N14	N18	sing	1.40Å	1.37Å	Aromatic
N14	C15	sing	1.37Å	1.37Å	Aromatic
N18	C17	doub	1.31Å	1.32Å	Aromatic
N13	C15	sing	1.34Å	1.35Å	Aromatic
C15	N16	doub	1.33Å	1.33Å	Aromatic
C17	N16	sing	1.33Å	1.36Å	Aromatic
C7	H1	sing	1.08Å	1.08Å
C8	H2	sing	1.08Å	1.08Å
C17	H3	sing	1.08Å	1.08Å
C1	H4	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C2	H7	sing	1.09Å	1.10Å
C3	H8	sing	1.09Å	1.10Å
C3	H9	sing	1.09Å	1.10Å
C11	H10	sing	1.08Å	1.08Å
C12	H11	sing	1.08Å	1.08Å
C19	H12	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	113.0°	110.8°
C1	C2	O6	108.3°	110.8°
C2	C1	H4	109.5°	109.5°
C2	C1	H5	109.5°	109.5°
C2	C1	H6	109.5°	109.4°
C1	C2	H7	110.0°	110.7°
C3	C2	O6	105.4°	102.8°
C2	C3	C4	102.1°	101.9°
C3	C2	H7	109.6°	110.7°
C2	C3	H8	111.3°	110.9°
C2	C3	H9	111.3°	110.9°
C2	O6	C5	106.2°	109.2°
O6	C2	H7	110.4°	110.9°
C3	C4	C5	108.1°	107.1°
C3	C4	C19	132.5°	132.0°
C4	C3	H8	111.3°	110.9°
C4	C3	H9	111.3°	111.0°
O6	C5	C4	113.5°	111.1°
O6	C5	C7	124.4°	129.7°
C5	C4	C19	119.2°	120.9°
C4	C5	C7	122.1°	119.1°
C4	C19	C9	120.3°	119.9°
C4	C19	H12	119.9°	120.1°
C5	C7	C8	118.3°	120.5°
C5	C7	H1	120.9°	119.8°
C19	C9	C8	119.0°	119.5°
C19	C9	C10	120.4°	120.3°
C9	C19	H12	119.9°	120.1°
C7	C8	C9	121.1°	120.2°
C8	C7	H1	120.8°	119.7°
C7	C8	H2	119.4°	119.9°
C8	C9	C10	120.6°	120.2°
C9	C8	H2	119.4°	119.9°
C9	C10	C11	124.6°	120.7°
C9	C10	N14	120.9°	120.7°
C10	C11	C12	120.3°	119.0°
C11	C10	N14	114.5°	118.6°
C10	C11	H10	119.9°	120.5°
C11	C12	N13	124.5°	120.5°
C12	C11	H10	119.9°	120.5°
C11	C12	H11	117.8°	119.8°
C10	N14	N18	127.6°	133.3°
C10	N14	C15	122.4°	120.2°
C12	N13	C15	115.7°	121.3°
N13	C12	H11	117.8°	119.7°
N18	N14	C15	109.9°	106.5°
N14	N18	C17	101.1°	107.0°
N14	C15	N13	122.6°	120.5°
N14	C15	N16	109.4°	107.1°
N18	C17	N16	117.2°	109.6°
N18	C17	H3	121.4°	125.2°
N13	C15	N16	127.8°	132.4°
C15	N16	C17	102.4°	109.8°
N16	C17	H3	121.4°	125.2°
H4	C1	H5	109.5°	109.5°
H4	C1	H6	109.4°	109.5°
H5	C1	H6	109.5°	109.5°
H8	C3	H9	109.5°	110.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	O6	118.1°	118.4°
C1	C2	C3	H7	123.1°	123.1°
C1	C2	O6	H7	120.5°	123.2°
C1	C2	C3	C4	97.4°	143.6°
C1	C2	O6	C5	100.4°	146.4°
C2	C1	H4	H5	120.0°	120.0°
C2	C1	H4	H6	120.0°	119.9°
C2	C1	H5	H6	120.0°	120.0°
C1	C2	C3	H8	143.8°	25.5°
C1	C2	C3	H9	21.4°	98.2°
C3	C2	O6	H7	118.2°	118.4°
C2	C3	C4	H8	118.8°	118.1°
C2	C3	C4	H9	118.8°	118.2°
C3	C2	O6	C5	20.8°	28.0°
C2	C3	C4	C5	13.6°	15.1°
C2	C3	C4	C19	170.3°	164.4°
C3	C2	C1	H4	180.0°	59.9°
C3	C2	C1	H5	60.0°	180.0°
C3	C2	C1	H6	60.0°	60.0°
C2	C3	H8	H9	123.5°	123.8°
O6	C2	C3	C4	20.6°	25.2°
C2	O6	C5	C4	12.9°	19.4°
C2	O6	C5	C7	169.5°	161.1°
O6	C2	C1	H4	63.6°	173.4°
O6	C2	C1	H5	56.4°	66.6°
O6	C2	C1	H6	176.4°	53.4°
O6	C2	C3	H8	98.1°	92.8°
O6	C2	C3	H9	139.4°	143.4°
C3	C4	C5	O6	1.0°	1.5°
C3	C4	C5	C19	176.7°	179.5°
C3	C4	C5	C7	176.7°	179.0°
C3	C4	C19	C9	175.3°	179.0°
C4	C3	C2	H7	139.4°	93.2°
C4	C3	H8	H9	123.4°	123.8°
C3	C4	C19	H12	4.7°	0.9°
O6	C5	C4	C7	177.7°	179.5°
O6	C5	C4	C19	177.7°	178.9°
O6	C5	C7	C8	177.1°	179.0°
O6	C5	C7	H1	2.9°	0.9°
C5	O6	C2	H7	139.1°	90.4°
C5	C4	C19	C9	0.4°	0.3°
C4	C5	C7	C8	0.3°	0.4°
C4	C5	C7	H1	179.7°	179.7°
C5	C4	C3	H8	105.2°	103.0°
C5	C4	C3	H9	132.4°	133.2°
C5	C4	C19	H12	179.5°	179.7°
C19	C4	C5	C7	0.0°	0.5°
C4	C19	C9	H12	180.0°	180.0°
C4	C19	C9	C8	0.5°	0.0°
C4	C19	C9	C10	177.0°	180.0°
C19	C4	C3	H8	70.9°	77.5°
C19	C4	C3	H9	51.5°	46.2°
C5	C7	C8	H1	180.0°	179.9°
C5	C7	C8	C9	0.1°	0.0°
C5	C7	C8	H2	179.8°	180.0°
C19	C9	C8	C7	0.3°	0.2°
C19	C9	C8	C10	177.5°	180.0°
C19	C9	C10	C11	31.5°	64.7°
C19	C9	C10	N14	150.6°	115.0°
C19	C9	C8	H2	179.8°	179.8°
C7	C8	C9	H2	180.0°	179.9°
C7	C8	C9	C10	177.3°	179.8°
C8	C9	C10	C11	145.9°	115.3°
C8	C9	C10	N14	31.9°	65.0°
C9	C8	C7	H1	179.8°	180.0°
C8	C9	C19	H12	179.4°	180.0°
C9	C10	C11	N14	178.0°	179.7°
C9	C10	C11	C12	177.7°	179.7°
C9	C10	N14	N18	6.7°	0.1°
C9	C10	N14	C15	177.5°	179.7°
C10	C9	C8	H2	2.7°	0.3°
C9	C10	C11	H10	2.3°	0.3°
C10	C9	C19	H12	3.0°	0.0°
C10	C11	C12	H10	180.0°	180.0°
C10	C11	C12	N13	0.0°	0.0°
C11	C10	N14	N18	175.2°	179.8°
C11	C10	N14	C15	0.5°	0.1°
C10	C11	C12	H11	180.0°	180.0°
C12	C11	C10	N14	0.3°	0.0°
C11	C12	N13	H11	180.0°	180.0°
C11	C12	N13	C15	0.1°	0.0°
C10	N14	N18	C15	176.2°	179.9°
C10	N14	N18	C17	176.2°	179.9°
C10	N14	C15	N13	0.5°	0.1°
C10	N14	C15	N16	176.6°	179.9°
N14	C10	C11	H10	179.7°	180.0°
C12	N13	C15	N14	0.2°	0.0°
C12	N13	C15	N16	175.5°	180.0°
N13	C12	C11	H10	180.0°	180.0°
N18	N14	C15	N13	175.9°	179.8°
N18	N14	C15	N16	0.2°	0.2°
N14	N18	C17	N16	0.1°	0.2°
N14	N18	C17	H3	179.8°	179.9°
C15	N14	N18	C17	0.0°	0.2°
N14	C15	N13	N16	175.4°	180.0°
N14	C15	N16	C17	0.3°	0.0°
N18	C17	N16	C15	0.3°	0.1°
N18	C17	N16	H3	180.0°	179.9°
N13	C15	N16	C17	175.6°	180.0°
C15	N13	C12	H11	179.9°	180.0°
C15	N16	C17	H3	179.7°	180.0°
H1	C7	C8	H2	0.2°	0.1°
H4	C1	H5	H6	119.9°	120.0°
H4	C1	C2	H7	57.1°	63.2°
H5	C1	C2	H7	177.1°	56.8°
H6	C1	C2	H7	62.9°	176.8°
H7	C2	C3	H8	20.7°	148.7°
H7	C2	C3	H9	101.8°	24.9°
H10	C11	C12	H11	0.0°	0.0°

Release date:	2025-12-10
Definition date:	2024-12-04
Last modified:	2025-12-05
Release status:	REL
Processing site:	RCSB
Derived from:	9EKP