A1I2S

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C08	C07	sing	1.41Å	1.37Å	Aromatic
C08	C09	doub	1.36Å	1.36Å	Aromatic
C07	C06	doub	1.35Å	1.39Å	Aromatic
C09	C10	sing	1.41Å	1.41Å	Aromatic
C06	N05	sing	1.36Å	1.38Å	Aromatic
C10	N05	sing	1.37Å	1.33Å	Aromatic
C10	N11	doub	1.33Å	1.38Å	Aromatic
N05	C04	sing	1.37Å	1.34Å	Aromatic
N11	C03	sing	1.34Å	1.33Å	Aromatic
C04	C03	doub	1.35Å	1.37Å	Aromatic
C03	C02	sing	1.51Å	1.52Å
N01	C02	sing	1.47Å	1.46Å
N01	H1	sing	1.01Å	1.00Å
N01	H2	sing	1.01Å	1.00Å
C02	H4	sing	1.09Å	1.10Å
C02	H5	sing	1.09Å	1.10Å
C04	H6	sing	1.08Å	1.08Å
C06	H7	sing	1.08Å	1.08Å
C07	H8	sing	1.08Å	1.08Å
C08	H9	sing	1.08Å	1.08Å
C09	H10	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C07	C08	C09	120.0°	119.7°
C08	C07	C06	119.8°	120.3°
C08	C07	H8	120.1°	119.9°
C07	C08	H9	120.0°	120.1°
C08	C09	C10	119.7°	119.3°
C09	C08	H9	120.0°	120.2°
C08	C09	H10	120.1°	120.3°
C07	C06	N05	119.3°	120.6°
C07	C06	H7	120.3°	119.7°
C06	C07	H8	120.1°	119.8°
C09	C10	N05	119.7°	119.7°
C09	C10	N11	132.1°	132.3°
C10	C09	H10	120.1°	120.4°
C06	N05	C10	121.4°	120.4°
C06	N05	C04	130.3°	132.6°
N05	C06	H7	120.4°	119.7°
N05	C10	N11	108.2°	108.0°
C10	N05	C04	108.3°	107.0°
C10	N11	C03	107.5°	109.2°
N05	C04	C03	108.2°	107.2°
N05	C04	H6	125.9°	126.4°
N11	C03	C04	107.7°	108.6°
N11	C03	C02	126.7°	125.7°
C04	C03	C02	125.6°	125.7°
C03	C04	H6	125.9°	126.4°
C03	C02	N01	111.2°	109.5°
C03	C02	H4	109.0°	109.4°
C03	C02	H5	109.0°	109.5°
C02	N01	H1	109.5°	111.0°
C02	N01	H2	109.5°	111.0°
N01	C02	H4	109.0°	109.5°
N01	C02	H5	109.1°	109.5°
H1	N01	H2	109.5°	111.0°
H4	C02	H5	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C07	C08	C09	H9	180.0°	179.7°
C08	C07	C06	H8	180.0°	180.0°
C07	C08	C09	C10	0.2°	0.5°
C08	C07	C06	N05	0.4°	0.0°
C08	C07	C06	H7	179.6°	180.0°
C07	C08	C09	H10	179.8°	180.0°
C09	C08	C07	C06	0.3°	0.3°
C08	C09	C10	H10	180.0°	179.5°
C08	C09	C10	N05	0.2°	0.5°
C08	C09	C10	N11	179.7°	179.8°
C09	C08	C07	H8	179.7°	179.8°
C07	C06	N05	H7	180.0°	180.0°
C07	C06	N05	C10	0.5°	0.0°
C07	C06	N05	C04	179.7°	180.0°
C06	C07	C08	H9	179.7°	180.0°
C09	C10	N05	C06	0.4°	0.2°
C09	C10	N05	N11	179.6°	179.8°
C09	C10	N05	C04	179.7°	179.8°
C09	C10	N11	C03	179.6°	179.7°
C10	C09	C08	H9	179.8°	179.8°
C06	N05	C10	C04	179.9°	180.0°
C06	N05	C10	N11	180.0°	180.0°
C06	N05	C04	C03	180.0°	180.0°
C06	N05	C04	H6	0.0°	0.0°
N05	C06	C07	H8	179.6°	180.0°
N05	C10	N11	C03	0.2°	0.0°
C10	N05	C04	C03	0.1°	0.0°
C10	N05	C04	H6	179.9°	180.0°
C10	N05	C06	H7	179.5°	180.0°
N05	C10	C09	H10	179.8°	180.0°
N11	C10	N05	C04	0.2°	0.0°
C10	N11	C03	C04	0.1°	0.1°
C10	N11	C03	C02	179.8°	180.0°
N11	C10	C09	H10	0.3°	0.3°
N05	C04	C03	N11	0.0°	0.0°
N05	C04	C03	H6	180.0°	180.0°
N05	C04	C03	C02	179.9°	180.0°
C04	N05	C06	H7	0.3°	0.0°
N11	C03	C04	C02	179.9°	180.0°
N11	C03	C02	N01	67.2°	85.0°
N11	C03	C02	H4	53.1°	155.0°
N11	C03	C02	H5	172.5°	35.0°
N11	C03	C04	H6	180.0°	180.0°
C04	C03	C02	N01	112.7°	95.0°
C04	C03	C02	H4	127.1°	25.0°
C04	C03	C02	H5	7.6°	144.9°
C03	C02	N01	H4	120.3°	120.0°
C03	C02	N01	H5	120.3°	120.0°
C03	C02	N01	H1	180.0°	180.0°
C03	C02	N01	H2	60.0°	56.0°
C03	C02	H4	H5	119.2°	120.0°
C02	C03	C04	H6	0.1°	0.0°
C02	N01	H1	H2	120.0°	124.0°
N01	C02	H4	H5	119.2°	120.0°
H1	N01	C02	H4	59.8°	60.0°
H1	N01	C02	H5	59.7°	60.0°
H2	N01	C02	H4	179.8°	64.0°
H2	N01	C02	H5	60.3°	176.0°
H7	C06	C07	H8	0.4°	0.0°
H8	C07	C08	H9	0.3°	0.0°
H9	C08	C09	H10	0.1°	0.3°

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