A1I20

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C09	doub	1.38Å	1.38Å	Aromatic
C10	N11	sing	1.32Å	1.31Å	Aromatic
C09	C08	sing	1.39Å	1.37Å	Aromatic
N11	C12	doub	1.32Å	1.30Å	Aromatic
C08	C07	sing	1.51Å	1.55Å
C08	C13	doub	1.39Å	1.39Å	Aromatic
C07	N06	sing	1.46Å	1.44Å
N01	C02	sing	1.39Å	1.40Å
C12	C13	sing	1.38Å	1.38Å	Aromatic
N06	C02	sing	1.35Å	1.31Å	Aromatic
N06	N05	sing	1.40Å	1.35Å	Aromatic
C02	C03	doub	1.36Å	1.31Å	Aromatic
N05	C04	doub	1.31Å	1.30Å	Aromatic
C03	C04	sing	1.40Å	1.37Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C13	H2	sing	1.08Å	1.08Å
N01	H3	sing	0.97Å	1.00Å
N01	H4	sing	0.97Å	1.00Å
C03	H5	sing	1.08Å	1.08Å
C04	H6	sing	1.08Å	1.08Å
C07	H7	sing	1.09Å	1.10Å
C07	H8	sing	1.09Å	1.10Å
C09	H9	sing	1.08Å	1.08Å
C12	H10	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C09	C10	N11	120.3°	120.8°
C10	C09	C08	121.9°	119.2°
C09	C10	H1	119.8°	119.7°
C10	C09	H9	119.1°	120.4°
C10	N11	C12	120.4°	121.7°
N11	C10	H1	119.9°	119.6°
C09	C08	C07	115.2°	120.9°
C09	C08	C13	115.3°	118.4°
C08	C09	H9	119.1°	120.4°
N11	C12	C13	121.7°	120.7°
N11	C12	H10	119.1°	119.6°
C07	C08	C13	129.5°	120.8°
C08	C07	N06	117.8°	109.5°
C08	C07	H7	107.4°	109.5°
C08	C07	H8	107.4°	109.4°
C08	C13	C12	120.4°	119.2°
C08	C13	H2	119.8°	120.4°
C07	N06	C02	126.4°	126.1°
C07	N06	N05	122.9°	126.0°
N06	C07	H7	107.4°	109.5°
N06	C07	H8	107.3°	109.4°
N01	C02	N06	130.7°	126.2°
N01	C02	C03	122.7°	126.2°
C02	N01	H3	109.5°	120.0°
C02	N01	H4	109.5°	120.0°
C12	C13	H2	119.8°	120.4°
C13	C12	H10	119.1°	119.6°
C02	N06	N05	110.7°	107.9°
N06	C02	C03	106.6°	107.6°
N06	N05	C04	106.3°	108.4°
C02	C03	C04	108.8°	107.8°
C02	C03	H5	125.6°	126.1°
N05	C04	C03	107.6°	108.3°
N05	C04	H6	126.2°	125.9°
C04	C03	H5	125.6°	126.1°
C03	C04	H6	126.2°	125.8°
H3	N01	H4	109.5°	120.0°
H7	C07	H8	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C09	C10	N11	H1	180.0°	179.7°
C10	C09	C08	H9	180.0°	179.9°
C09	C10	N11	C12	0.2°	0.0°
C10	C09	C08	C07	179.8°	180.0°
C10	C09	C08	C13	0.5°	0.0°
N11	C10	C09	C08	0.3°	0.0°
C10	N11	C12	C13	0.4°	0.0°
N11	C10	C09	H9	179.7°	179.9°
C10	N11	C12	H10	179.6°	180.0°
C09	C08	C07	C13	179.7°	180.0°
C09	C08	C07	N06	161.3°	90.0°
C09	C08	C13	C12	0.3°	0.1°
C08	C09	C10	H1	179.7°	179.7°
C09	C08	C13	H2	179.7°	180.0°
C09	C08	C07	H7	77.5°	150.0°
C09	C08	C07	H8	40.1°	30.0°
N11	C12	C13	C08	0.1°	0.1°
N11	C12	C13	H10	180.0°	180.0°
C12	N11	C10	H1	179.8°	179.7°
N11	C12	C13	H2	179.9°	180.0°
C08	C07	N06	H7	121.2°	120.1°
C08	C07	N06	H8	121.2°	119.9°
C07	C08	C13	C12	180.0°	180.0°
C08	C07	N06	C02	178.0°	89.9°
C08	C07	N06	N05	2.8°	89.9°
C07	C08	C13	H2	0.0°	0.1°
C08	C07	H7	H8	116.2°	120.0°
C07	C08	C09	H9	0.2°	0.1°
C13	C08	C07	N06	19.0°	90.0°
C08	C13	C12	H2	180.0°	179.9°
C13	C08	C07	H7	102.2°	30.0°
C13	C08	C07	H8	140.2°	150.1°
C13	C08	C09	H9	179.5°	179.9°
C08	C13	C12	H10	179.9°	179.9°
C07	N06	C02	N01	1.1°	0.1°
C07	N06	C02	N05	179.2°	179.8°
C07	N06	C02	C03	179.0°	179.8°
C07	N06	N05	C04	179.0°	179.8°
N06	C07	H7	H8	116.2°	120.0°
N01	C02	N06	C03	179.9°	179.7°
N01	C02	N06	N05	179.6°	179.9°
N01	C02	C03	C04	179.7°	180.0°
C02	N01	H3	H4	120.0°	179.9°
N01	C02	C03	H5	0.3°	0.1°
C02	N06	N05	C04	0.3°	0.4°
N06	C02	C03	C04	0.2°	0.3°
N06	C02	N01	H3	180.0°	179.7°
N06	C02	N01	H4	60.0°	0.4°
N06	C02	C03	H5	179.8°	179.8°
C02	N06	C07	H7	60.8°	150.0°
C02	N06	C07	H8	56.8°	30.0°
N05	N06	C02	C03	0.3°	0.4°
N06	N05	C04	C03	0.1°	0.2°
N06	N05	C04	H6	179.8°	179.8°
N05	N06	C07	H7	118.4°	30.2°
N05	N06	C07	H8	124.0°	150.2°
C02	C03	C04	N05	0.0°	0.0°
C02	C03	C04	H5	180.0°	179.9°
C03	C02	N01	H3	0.1°	0.1°
C03	C02	N01	H4	120.2°	180.0°
C02	C03	C04	H6	180.0°	180.0°
N05	C04	C03	H6	180.0°	180.0°
N05	C04	C03	H5	180.0°	180.0°
H1	C10	C09	H9	0.3°	0.4°
H2	C13	C12	H10	0.1°	0.0°
H5	C03	C04	H6	0.0°	0.0°

Release date:	2026-01-21
Definition date:	2025-02-17
Last modified:	2026-01-16
Release status:	REL
Processing site:	PDBE
Derived from:	9ID6