A1I8M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N15	C14	sing	1.37Å	1.42Å	Aromatic
N15	C05	sing	1.37Å	1.37Å	Aromatic
N04	C05	sing	1.33Å	1.37Å	Aromatic
N04	C03	doub	1.32Å	1.34Å	Aromatic
C14	C13	doub	1.34Å	1.36Å	Aromatic
C05	C06	doub	1.41Å	1.41Å	Aromatic
C03	C02	sing	1.38Å	1.42Å	Aromatic
C13	C06	sing	1.46Å	1.44Å	Aromatic
C06	C07	sing	1.41Å	1.40Å	Aromatic
C02	C07	doub	1.40Å	1.41Å	Aromatic
C02	CL01	sing	1.74Å	1.77Å
C07	C08	sing	1.48Å	1.43Å
C08	N12	sing	1.35Å	1.42Å	Aromatic
C08	C09	doub	1.37Å	1.38Å	Aromatic
N12	N11	doub	1.29Å	1.30Å	Aromatic
C09	N10	sing	1.35Å	1.38Å	Aromatic
N11	N10	sing	1.29Å	1.38Å	Aromatic
C13	H2	sing	1.08Å	1.08Å
C03	H3	sing	1.08Å	1.08Å
C09	H4	sing	1.08Å	1.08Å
C14	H5	sing	1.08Å	1.08Å
N15	H6	sing	0.97Å	1.00Å
N10	H1	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C14	N15	C05	108.2°	110.0°
N15	C14	C13	109.9°	109.9°
N15	C14	H5	125.1°	125.1°
C14	N15	H6	125.9°	124.9°
N15	C05	N04	126.7°	133.1°
N15	C05	C06	108.0°	107.0°
C05	N15	H6	125.9°	125.1°
C05	N04	C03	115.0°	122.0°
N04	C05	C06	125.3°	119.9°
N04	C03	C02	124.3°	121.7°
N04	C03	H3	117.9°	119.1°
C14	C13	C06	106.2°	106.8°
C14	C13	H2	126.9°	126.6°
C13	C14	H5	125.1°	125.0°
C05	C06	C13	107.7°	106.3°
C05	C06	C07	118.2°	119.4°
C03	C02	C07	119.7°	119.2°
C03	C02	CL01	116.7°	120.4°
C02	C03	H3	117.9°	119.2°
C13	C06	C07	134.0°	134.3°
C06	C13	H2	126.9°	126.5°
C06	C07	C02	117.5°	117.8°
C06	C07	C08	119.8°	121.1°
C07	C02	CL01	123.6°	120.4°
C02	C07	C08	122.7°	121.1°
C07	C08	N12	125.0°	126.9°
C07	C08	C09	127.3°	126.9°
N12	C08	C09	107.7°	106.1°
C08	N12	N11	108.2°	108.8°
C08	C09	N10	105.4°	106.1°
C08	C09	H4	127.3°	127.0°
N12	N11	N10	109.3°	110.6°
C09	N10	N11	109.3°	108.5°
N10	C09	H4	127.3°	126.9°
C09	N10	H1	125.3°	125.7°
N11	N10	H1	125.3°	125.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C14	N15	C05	H6	180.0°	179.8°
C14	N15	C05	N04	180.0°	179.9°
N15	C14	C13	H5	180.0°	180.0°
C14	N15	C05	C06	0.3°	0.4°
N15	C14	C13	C06	0.0°	0.0°
N15	C14	C13	H2	180.0°	179.7°
N15	C05	N04	C06	179.7°	179.4°
N15	C05	N04	C03	179.8°	179.4°
C05	N15	C14	C13	0.2°	0.2°
N15	C05	C06	C13	0.3°	0.4°
N15	C05	C06	C07	179.7°	179.5°
C05	N15	C14	H5	179.8°	179.7°
C05	N04	C03	C02	0.4°	0.0°
N04	C05	C06	C13	180.0°	180.0°
N04	C05	C06	C07	0.1°	0.0°
C05	N04	C03	H3	179.5°	180.0°
N04	C05	N15	H6	0.0°	0.3°
C03	N04	C05	C06	0.0°	0.0°
N04	C03	C02	H3	180.0°	180.0°
N04	C03	C02	C07	0.7°	0.0°
N04	C03	C02	CL01	179.7°	180.0°
C14	C13	C06	C05	0.1°	0.3°
C14	C13	C06	H2	180.0°	179.7°
C14	C13	C06	C07	179.8°	179.7°
C13	C14	N15	H6	179.8°	180.0°
C05	C06	C13	C07	179.9°	180.0°
C05	C06	C07	C02	0.2°	0.0°
C05	C06	C07	C08	179.4°	180.0°
C05	C06	C13	H2	179.9°	180.0°
C06	C05	N15	H6	179.8°	179.8°
C03	C02	C07	C06	0.5°	0.0°
C03	C02	C07	CL01	179.0°	180.0°
C03	C02	C07	C08	179.7°	180.0°
C13	C06	C07	C02	179.7°	180.0°
C13	C06	C07	C08	0.5°	0.0°
C06	C13	C14	H5	180.0°	180.0°
C06	C07	C02	C08	179.2°	180.0°
C06	C07	C02	CL01	179.5°	180.0°
C06	C07	C08	N12	136.4°	133.1°
C06	C07	C08	C09	42.0°	47.0°
C07	C06	C13	H2	0.2°	0.0°
C02	C07	C08	N12	42.8°	46.8°
C02	C07	C08	C09	138.8°	133.0°
C07	C02	C03	H3	179.3°	180.0°
CL01	C02	C07	C08	1.3°	0.0°
CL01	C02	C03	H3	0.2°	0.0°
C07	C08	N12	C09	178.6°	179.9°
C07	C08	N12	N11	179.0°	179.9°
C07	C08	C09	N10	178.8°	179.9°
C07	C08	C09	H4	1.2°	0.1°
N12	C08	C09	N10	0.3°	0.0°
C08	N12	N11	N10	0.4°	0.0°
N12	C08	C09	H4	179.8°	180.0°
C09	C08	N12	N11	0.4°	0.0°
C08	C09	N10	H4	180.0°	179.9°
C08	C09	N10	N11	0.0°	0.1°
C08	C09	N10	H1	180.0°	180.0°
N12	N11	N10	C09	0.2°	0.0°
N12	N11	N10	H1	179.8°	180.0°
C09	N10	N11	H1	180.0°	179.9°
N11	N10	C09	H4	180.0°	180.0°
H2	C13	C14	H5	0.0°	0.3°
H4	C09	N10	H1	0.0°	0.1°
H5	C14	N15	H6	0.2°	0.1°

Release date:	2026-02-11
Definition date:	2025-03-26
Last modified:	2026-02-06
Release status:	REL
Processing site:	PDBE
Derived from:	9QOT