A1I3H

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C02	sing	1.53Å	1.51Å
C09	C02	sing	1.53Å	1.46Å
C09	C07	sing	1.51Å	1.49Å
C02	C03	sing	1.53Å	1.47Å
C02	C10	sing	1.53Å	1.52Å
C03	C04	sing	1.51Å	1.53Å
C07	O08	doub	1.21Å	1.16Å
C07	O06	sing	1.35Å	1.45Å
C04	O06	sing	1.35Å	1.46Å
C04	O05	doub	1.21Å	1.19Å
C10	H1	sing	1.09Å	1.10Å
C10	H2	sing	1.09Å	1.10Å
C10	H3	sing	1.09Å	1.10Å
C01	H4	sing	1.09Å	1.10Å
C01	H5	sing	1.09Å	1.10Å
C01	H6	sing	1.09Å	1.10Å
C03	H7	sing	1.09Å	1.10Å
C03	H8	sing	1.09Å	1.10Å
C09	H9	sing	1.09Å	1.10Å
C09	H10	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	C09	109.0°	109.6°
C01	C02	C03	111.2°	109.6°
C01	C02	C10	107.8°	109.6°
C02	C01	H4	109.5°	109.4°
C02	C01	H5	109.5°	109.5°
C02	C01	H6	109.4°	109.5°
C02	C09	C07	110.9°	108.5°
C09	C02	C03	112.0°	108.7°
C09	C02	C10	108.5°	109.7°
C02	C09	H9	109.1°	109.6°
C02	C09	H10	109.1°	109.6°
C09	C07	O08	123.7°	120.9°
C09	C07	O06	112.0°	118.1°
C07	C09	H9	109.1°	109.7°
C07	C09	H10	109.1°	109.6°
C03	C02	C10	108.2°	109.6°
C02	C03	C04	112.6°	108.5°
C02	C03	H7	108.7°	109.6°
C02	C03	H8	108.7°	109.6°
C02	C10	H1	109.5°	109.4°
C02	C10	H2	109.5°	109.5°
C02	C10	H3	109.4°	109.5°
C03	C04	O06	112.8°	118.1°
C03	C04	O05	125.0°	121.0°
C04	C03	H7	108.7°	109.6°
C04	C03	H8	108.7°	109.6°
O08	C07	O06	124.3°	121.0°
C07	O06	C04	127.6°	114.7°
O06	C04	O05	122.2°	120.9°
H1	C10	H2	109.5°	109.4°
H1	C10	H3	109.5°	109.5°
H2	C10	H3	109.5°	109.5°
H4	C01	H5	109.4°	109.4°
H4	C01	H6	109.5°	109.5°
H5	C01	H6	109.5°	109.5°
H7	C03	H8	109.5°	109.8°
H9	C09	H10	109.5°	109.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	C09	C03	123.4°	119.8°
C01	C02	C09	C10	117.2°	120.4°
C01	C02	C09	C07	170.0°	66.3°
C01	C02	C03	C10	118.3°	120.3°
C01	C02	C03	C04	177.9°	66.3°
C01	C02	C10	H1	180.0°	60.0°
C01	C02	C10	H2	60.0°	180.0°
C01	C02	C10	H3	60.0°	60.0°
C02	C01	H4	H5	120.0°	120.0°
C02	C01	H4	H6	120.0°	120.0°
C02	C01	H5	H6	120.0°	120.0°
C01	C02	C03	H7	61.6°	174.0°
C01	C02	C03	H8	57.5°	53.4°
C01	C02	C09	H9	69.8°	53.4°
C01	C02	C09	H10	49.8°	174.0°
C02	C09	C07	H9	120.2°	119.7°
C02	C09	C07	H10	120.2°	119.7°
C09	C02	C03	C10	119.6°	119.9°
C09	C02	C03	C04	55.7°	53.4°
C02	C09	C07	O08	141.5°	128.8°
C02	C09	C07	O06	38.7°	51.2°
C09	C02	C10	H1	62.1°	179.6°
C09	C02	C10	H2	57.9°	59.6°
C09	C02	C10	H3	177.9°	60.4°
C09	C02	C01	H4	180.0°	179.2°
C09	C02	C01	H5	60.0°	60.8°
C09	C02	C01	H6	60.0°	59.3°
C09	C02	C03	H7	176.2°	66.2°
C09	C02	C03	H8	64.7°	173.2°
C02	C09	H9	H10	119.4°	120.5°
C07	C09	C02	C03	66.5°	53.4°
C07	C09	C02	C10	52.9°	173.3°
C09	C07	O08	O06	179.8°	180.0°
C09	C07	O06	C04	4.4°	46.7°
C07	C09	H9	H10	119.3°	120.5°
C02	C03	C04	H7	120.5°	119.7°
C02	C03	C04	H8	120.4°	119.7°
C02	C03	C04	O06	19.7°	51.2°
C02	C03	C04	O05	159.1°	128.8°
C03	C02	C10	H1	59.6°	60.3°
C03	C02	C10	H2	179.7°	59.7°
C03	C02	C10	H3	60.4°	179.7°
C03	C02	C01	H4	56.1°	60.0°
C03	C02	C01	H5	176.1°	180.0°
C03	C02	C01	H6	63.9°	60.0°
C02	C03	H7	H8	118.6°	120.5°
C03	C02	C09	H9	53.7°	173.2°
C03	C02	C09	H10	173.3°	66.3°
C10	C02	C03	C04	63.8°	173.3°
C02	C10	H1	H2	120.0°	120.0°
C02	C10	H1	H3	120.0°	120.1°
C02	C10	H2	H3	119.9°	120.1°
C10	C02	C01	H4	62.4°	60.3°
C10	C02	C01	H5	57.6°	59.6°
C10	C02	C01	H6	177.6°	179.7°
C10	C02	C03	H7	56.7°	53.7°
C10	C02	C03	H8	175.7°	66.9°
C10	C02	C09	H9	173.1°	67.0°
C10	C02	C09	H10	67.3°	53.6°
C03	C04	O06	C07	5.2°	46.7°
C03	C04	O06	O05	178.8°	179.9°
C04	C03	H7	H8	118.6°	120.5°
O08	C07	O06	C04	175.8°	133.3°
O08	C07	C09	H9	98.3°	9.1°
O08	C07	C09	H10	21.2°	111.5°
C07	O06	C04	O05	176.0°	133.2°
O06	C07	C09	H9	81.5°	170.9°
O06	C07	C09	H10	159.0°	68.6°
O06	C04	C03	H7	140.2°	68.5°
O06	C04	C03	H8	100.7°	170.9°
O05	C04	C03	H7	38.6°	111.5°
O05	C04	C03	H8	80.5°	9.1°
H1	C10	H2	H3	120.0°	120.0°
H4	C01	H5	H6	120.0°	120.0°

Release date:	2026-01-21
Definition date:	2025-02-18
Last modified:	2026-01-16
Release status:	REL
Processing site:	PDBE
Derived from:	9IEI