A1IGX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C4	sing	1.51Å	1.52Å
C4	N8	doub	1.31Å	1.31Å	Aromatic
C4	N1	sing	1.35Å	1.33Å	Aromatic
N8	N6	sing	1.29Å	1.31Å	Aromatic
N1	N3	sing	1.40Å	1.40Å	Aromatic
N1	C2	sing	1.37Å	1.38Å	Aromatic
N6	C2	doub	1.32Å	1.32Å	Aromatic
N3	C7	doub	1.31Å	1.32Å	Aromatic
C2	C5	sing	1.41Å	1.41Å	Aromatic
C12	N11	sing	1.46Å	1.47Å
C12	C13	sing	1.53Å	1.53Å
C7	N11	sing	1.39Å	1.39Å
C7	C10	sing	1.41Å	1.42Å	Aromatic
C5	C10	doub	1.36Å	1.36Å	Aromatic
C13	C14	sing	1.51Å	1.51Å
C15	C14	doub	1.38Å	1.38Å	Aromatic
C15	C17	sing	1.38Å	1.38Å	Aromatic
C14	C16	sing	1.38Å	1.39Å	Aromatic
C17	C19	doub	1.38Å	1.38Å	Aromatic
C16	C18	doub	1.38Å	1.39Å	Aromatic
C19	C18	sing	1.38Å	1.39Å	Aromatic
C5	H1	sing	1.08Å	1.08Å
C10	H2	sing	1.08Å	1.08Å
C13	H3	sing	1.09Å	1.10Å
C13	H4	sing	1.09Å	1.10Å
C15	H5	sing	1.08Å	1.08Å
C17	H6	sing	1.08Å	1.08Å
C18	H7	sing	1.08Å	1.08Å
C16	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.09Å	1.10Å
C9	H10	sing	1.09Å	1.10Å
C9	H11	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C19	H14	sing	1.08Å	1.08Å
N11	H15	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C4	N8	129.5°	126.1°
C9	C4	N1	123.3°	126.2°
C4	C9	H9	109.5°	109.5°
C4	C9	H10	109.4°	109.4°
C4	C9	H11	109.5°	109.5°
N8	C4	N1	107.1°	107.7°
C4	N8	N6	110.9°	110.2°
C4	N1	N3	131.3°	133.9°
C4	N1	C2	107.4°	106.1°
N8	N6	C2	107.8°	109.3°
N3	N1	C2	121.2°	120.0°
N1	N3	C7	118.5°	120.5°
N1	C2	N6	106.8°	106.8°
N1	C2	C5	119.4°	119.4°
N6	C2	C5	133.7°	133.8°
N3	C7	N11	120.0°	119.6°
N3	C7	C10	122.2°	120.8°
C2	C5	C10	118.4°	119.1°
C2	C5	H1	120.8°	120.4°
N11	C12	C13	108.2°	109.5°
C12	N11	C7	121.6°	120.0°
N11	C12	H12	109.8°	109.4°
N11	C12	H13	109.8°	109.5°
C12	N11	H15	106.4°	120.0°
C12	C13	C14	108.7°	109.5°
C12	C13	H3	109.6°	109.5°
C12	C13	H4	109.6°	109.5°
C13	C12	H12	109.8°	109.4°
C13	C12	H13	109.8°	109.5°
N11	C7	C10	117.8°	119.6°
C7	N11	H15	106.4°	120.0°
C7	C10	C5	120.1°	120.1°
C7	C10	H2	120.0°	119.9°
C10	C5	H1	120.8°	120.5°
C5	C10	H2	119.9°	119.9°
C13	C14	C15	119.0°	120.0°
C13	C14	C16	120.6°	120.0°
C14	C13	H3	109.7°	109.5°
C14	C13	H4	109.7°	109.5°
C14	C15	C17	119.7°	120.0°
C15	C14	C16	120.4°	120.0°
C14	C15	H5	120.2°	120.0°
C15	C17	C19	120.6°	120.0°
C17	C15	H5	120.2°	120.0°
C15	C17	H6	119.7°	120.0°
C14	C16	C18	119.7°	120.0°
C14	C16	H8	120.1°	120.0°
C17	C19	C18	119.8°	120.0°
C19	C17	H6	119.7°	120.0°
C17	C19	H14	120.1°	120.0°
C16	C18	C19	119.8°	120.0°
C16	C18	H7	120.1°	120.0°
C18	C16	H8	120.1°	120.0°
C19	C18	H7	120.1°	119.9°
C18	C19	H14	120.1°	120.0°
H3	C13	H4	109.5°	109.5°
H9	C9	H10	109.5°	109.4°
H9	C9	H11	109.5°	109.5°
H10	C9	H11	109.5°	109.5°
H12	C12	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C4	N8	N1	176.7°	180.0°
C9	C4	N8	N6	177.5°	180.0°
C9	C4	N1	N3	1.5°	0.0°
C9	C4	N1	C2	178.2°	179.8°
C4	C9	H9	H10	120.0°	119.9°
C4	C9	H9	H11	120.0°	120.1°
C4	C9	H10	H11	120.0°	120.0°
N8	C4	N1	N3	175.5°	179.9°
N8	C4	N1	C2	1.2°	0.3°
C4	N8	N6	C2	0.1°	0.3°
N8	C4	C9	H9	0.0°	90.0°
N8	C4	C9	H10	120.0°	150.1°
N8	C4	C9	H11	120.0°	30.1°
N1	C4	N8	N6	0.7°	0.0°
C4	N1	N3	C2	176.4°	179.8°
C4	N1	C2	N6	1.3°	0.4°
C4	N1	N3	C7	174.8°	179.7°
C4	N1	C2	C5	178.6°	179.7°
N1	C4	C9	H9	176.3°	90.0°
N1	C4	C9	H10	56.3°	30.0°
N1	C4	C9	H11	63.7°	150.0°
N8	N6	C2	N1	0.9°	0.4°
N8	N6	C2	C5	177.6°	179.8°
N3	N1	C2	N6	175.8°	179.7°
N3	N1	C2	C5	1.5°	0.1°
N1	N3	C7	N11	179.8°	179.9°
N1	N3	C7	C10	2.3°	0.1°
N1	C2	N6	C5	176.7°	179.8°
C2	N1	N3	C7	1.5°	0.1°
N1	C2	C5	C10	3.7°	0.0°
N1	C2	C5	H1	176.3°	179.9°
N6	C2	C5	C10	172.7°	179.7°
N6	C2	C5	H1	7.3°	0.3°
N3	C7	N11	C12	7.9°	0.1°
N3	C7	N11	C10	178.1°	180.0°
N3	C7	C10	C5	0.0°	0.0°
N3	C7	C10	H2	180.0°	180.0°
N3	C7	N11	H15	113.8°	180.0°
C2	C5	C10	C7	3.0°	0.0°
C2	C5	C10	H1	180.0°	180.0°
C2	C5	C10	H2	177.0°	180.0°
N11	C12	C13	H12	119.8°	119.9°
N11	C12	C13	H13	119.8°	120.1°
C12	N11	C7	H15	121.7°	180.0°
C12	N11	C7	C10	174.0°	180.0°
N11	C12	C13	C14	65.9°	180.0°
N11	C12	C13	H3	54.0°	60.0°
N11	C12	C13	H4	174.2°	60.0°
N11	C12	H12	H13	120.6°	120.0°
C13	C12	N11	C7	148.7°	180.0°
C12	C13	C14	H3	119.9°	120.0°
C12	C13	C14	H4	119.9°	120.0°
C12	C13	C14	C15	69.0°	90.1°
C12	C13	C14	C16	111.6°	90.0°
C12	C13	H3	H4	120.3°	120.0°
C13	C12	H12	H13	120.6°	120.0°
C13	C12	N11	H15	89.6°	0.1°
N11	C7	C10	C5	178.0°	180.0°
N11	C7	C10	H2	2.0°	0.0°
C7	N11	C12	H12	91.5°	60.0°
C7	N11	C12	H13	28.9°	60.0°
C7	C10	C5	H2	180.0°	180.0°
C7	C10	C5	H1	177.0°	180.0°
C10	C7	N11	H15	64.3°	0.0°
C13	C14	C15	C16	179.4°	180.0°
C13	C14	C15	C17	178.9°	180.0°
C13	C14	C16	C18	179.3°	180.0°
C14	C13	H3	H4	120.4°	120.0°
C13	C14	C15	H5	1.1°	0.2°
C13	C14	C16	H8	0.7°	0.0°
C14	C13	C12	H12	174.3°	60.1°
C14	C13	C12	H13	53.9°	59.9°
C14	C15	C17	H5	180.0°	179.8°
C14	C15	C17	C19	0.6°	0.1°
C15	C14	C16	C18	0.1°	0.0°
C15	C14	C13	H3	171.1°	29.9°
C15	C14	C13	H4	50.9°	150.0°
C14	C15	C17	H6	179.4°	179.9°
C15	C14	C16	H8	180.0°	179.9°
C17	C15	C14	C16	0.5°	0.1°
C15	C17	C19	H6	180.0°	180.0°
C15	C17	C19	C18	0.4°	0.0°
C15	C17	C19	H14	179.6°	180.0°
C14	C16	C18	H8	180.0°	180.0°
C14	C16	C18	C19	0.2°	0.0°
C16	C14	C13	H3	8.3°	150.0°
C16	C14	C13	H4	128.5°	30.0°
C16	C14	C15	H5	179.5°	179.8°
C14	C16	C18	H7	179.8°	180.0°
C17	C19	C18	C16	0.1°	0.0°
C17	C19	C18	H14	180.0°	179.9°
C19	C17	C15	H5	179.4°	179.8°
C17	C19	C18	H7	180.0°	180.0°
C16	C18	C19	H7	180.0°	180.0°
C16	C18	C19	H14	180.0°	179.9°
C18	C19	C17	H6	179.7°	180.0°
C19	C18	C16	H8	179.8°	180.0°
H1	C5	C10	H2	3.0°	0.0°
H3	C13	C12	H12	65.8°	60.0°
H3	C13	C12	H13	173.8°	180.0°
H4	C13	C12	H12	54.4°	180.0°
H4	C13	C12	H13	66.1°	60.0°
H5	C15	C17	H6	0.6°	0.2°
H6	C17	C19	H14	0.4°	0.0°
H7	C18	C16	H8	0.2°	0.0°
H7	C18	C19	H14	0.0°	0.1°
H9	C9	H10	H11	120.0°	120.0°
H12	C12	N11	H15	30.2°	120.0°
H13	C12	N11	H15	150.6°	120.0°

Release date:	2024-08-07
Definition date:	2024-07-02
Last modified:	2024-08-02
Release status:	REL
Processing site:	PDBE
Derived from:	9FWX