A1I0L

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C7	sing	1.51Å	1.49Å
C7	N2	sing	1.35Å	1.34Å
C7	O7	doub	1.21Å	1.23Å
O3	C3	sing	1.43Å	1.42Å
N2	C2	sing	1.47Å	1.43Å
C3	C2	sing	1.53Å	1.53Å
C3	C4	sing	1.53Å	1.50Å
C2	C1	sing	1.53Å	1.54Å
O4	C4	sing	1.43Å	1.43Å
C4	C5	sing	1.53Å	1.55Å
C1	O1	sing	1.43Å	1.40Å
C1	O5	sing	1.43Å	1.42Å
O1	CM	sing	1.43Å	1.44Å
C5	O5	sing	1.43Å	1.43Å
C5	C6	sing	1.53Å	1.52Å
C6	F6	sing	1.40Å	1.33Å
N2	HN2	sing	0.97Å	1.00Å
C3	H3	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
CM	HM1	sing	1.09Å	1.10Å
CM	HM2	sing	1.09Å	1.10Å
CM	HM3	sing	1.09Å	1.10Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
C8	H83	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C5	H5	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	C7	N2	115.6°	120.0°
C8	C7	O7	122.1°	120.0°
C7	C8	H81	109.5°	109.5°
C7	C8	H82	109.5°	109.5°
C7	C8	H83	109.5°	109.5°
N2	C7	O7	122.3°	120.0°
C7	N2	C2	122.4°	120.0°
C7	N2	HN2	118.8°	120.0°
O3	C3	C2	112.8°	109.5°
O3	C3	C4	110.7°	109.5°
O3	C3	H3	109.2°	109.6°
C3	O3	HO3	109.5°	114.0°
N2	C2	C3	111.0°	109.5°
N2	C2	C1	110.4°	109.5°
C2	N2	HN2	118.8°	120.0°
N2	C2	H2	109.6°	109.5°
C2	C3	C4	108.3°	109.0°
C3	C2	C1	109.2°	109.2°
C2	C3	H3	107.7°	109.6°
C3	C2	H2	108.4°	109.6°
C3	C4	O4	110.8°	109.5°
C3	C4	C5	110.9°	109.2°
C4	C3	H3	108.0°	109.5°
C3	C4	H4	109.0°	109.5°
C2	C1	O1	107.5°	109.5°
C2	C1	O5	108.5°	109.4°
C1	C2	H2	108.2°	109.6°
C2	C1	H1	109.2°	109.5°
O4	C4	C5	107.5°	109.5°
O4	C4	H4	110.0°	109.5°
C4	O4	HO4	109.5°	114.1°
C4	C5	O5	107.0°	109.4°
C4	C5	C6	114.1°	109.5°
C5	C4	H4	108.4°	109.5°
C4	C5	H5	108.9°	109.5°
O1	C1	O5	109.4°	109.5°
C1	O1	CM	113.1°	114.0°
O1	C1	H1	111.2°	109.5°
C1	O5	C5	114.2°	114.1°
O5	C1	H1	110.9°	109.5°
O1	CM	HM1	109.5°	109.5°
O1	CM	HM2	109.4°	109.4°
O1	CM	HM3	109.5°	109.5°
O5	C5	C6	107.0°	109.4°
O5	C5	H5	110.6°	109.5°
C5	C6	F6	111.4°	109.5°
C6	C5	H5	109.3°	109.5°
C5	C6	H61	109.0°	109.4°
C5	C6	H62	109.0°	109.5°
F6	C6	H61	109.0°	109.5°
F6	C6	H62	109.0°	109.5°
HM1	CM	HM2	109.5°	109.5°
HM1	CM	HM3	109.4°	109.4°
HM2	CM	HM3	109.5°	109.4°
H81	C8	H82	109.4°	109.5°
H81	C8	H83	109.5°	109.4°
H82	C8	H83	109.5°	109.5°
H61	C6	H62	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	C7	N2	O7	179.2°	179.9°
C8	C7	N2	C2	174.8°	180.0°
C8	C7	N2	HN2	5.1°	0.4°
C7	C8	H81	H82	120.0°	120.0°
C7	C8	H81	H83	120.0°	120.0°
C7	C8	H82	H83	120.0°	120.0°
C7	N2	C2	HN2	180.0°	179.6°
C7	N2	C2	C3	139.0°	154.7°
C7	N2	C2	C1	99.8°	85.6°
C7	N2	C2	H2	19.2°	34.5°
N2	C7	C8	H81	179.2°	89.9°
N2	C7	C8	H82	59.2°	150.0°
N2	C7	C8	H83	60.8°	30.1°
O7	C7	N2	C2	6.0°	0.1°
O7	C7	N2	HN2	174.1°	179.7°
O7	C7	C8	H81	0.0°	90.0°
O7	C7	C8	H82	120.0°	30.0°
O7	C7	C8	H83	120.0°	150.0°
O3	C3	C2	N2	58.3°	63.3°
O3	C3	C2	C4	122.9°	119.9°
O3	C3	C2	H3	120.5°	120.2°
O3	C3	C4	H3	119.5°	120.2°
O3	C3	C2	C1	179.8°	176.9°
O3	C3	C4	O4	59.4°	63.2°
O3	C3	C4	C5	178.8°	176.9°
O3	C3	C2	H2	62.1°	56.9°
O3	C3	C4	H4	61.9°	57.0°
N2	C2	C3	C1	121.9°	119.9°
N2	C2	C3	H2	120.5°	120.1°
N2	C2	C3	C4	178.8°	176.9°
N2	C2	C1	H2	119.9°	120.1°
N2	C2	C1	O1	60.5°	62.5°
N2	C2	C1	O5	178.8°	177.5°
N2	C2	C3	H3	62.2°	57.0°
N2	C2	C1	H1	60.2°	57.5°
C2	C3	C4	H3	116.4°	119.9°
C3	C2	C1	H2	117.8°	120.0°
C2	C3	C4	O4	176.5°	176.9°
C2	C3	C4	C5	57.1°	57.0°
C3	C2	C1	O1	177.2°	177.6°
C3	C2	C1	O5	58.9°	57.6°
C3	C2	N2	HN2	41.1°	24.9°
C3	C2	C1	H1	62.1°	62.4°
C2	C3	C4	H4	62.2°	62.9°
C2	C3	O3	HO3	180.0°	179.9°
C4	C3	C2	C1	56.9°	57.0°
C3	C4	O4	C5	121.4°	119.7°
C3	C4	O4	H4	120.7°	120.2°
C3	C4	C5	H4	119.7°	119.9°
C3	C4	C5	O5	57.9°	57.6°
C3	C4	C5	C6	176.1°	177.5°
C4	C3	C2	H2	60.8°	63.0°
C3	C4	O4	HO4	180.0°	180.0°
C3	C4	C5	H5	61.6°	62.4°
C4	C3	O3	HO3	58.5°	60.4°
C2	C1	O1	O5	117.6°	119.9°
C2	C1	O1	H1	119.5°	120.0°
C2	C1	O5	H1	119.9°	120.0°
C2	C1	O1	CM	167.4°	175.0°
C2	C1	O5	C5	63.9°	61.2°
C1	C2	N2	HN2	80.2°	94.7°
C1	C2	C3	H3	59.7°	62.9°
O4	C4	C5	H4	119.0°	120.1°
O4	C4	C5	O5	179.3°	177.5°
O4	C4	C5	C6	62.6°	62.5°
O4	C4	C3	H3	60.1°	57.0°
O4	C4	C5	H5	59.8°	57.6°
C4	C5	O5	C1	62.3°	61.2°
C4	C5	O5	C6	122.7°	120.0°
C4	C5	O5	H5	118.4°	120.0°
C4	C5	C6	H5	122.1°	120.1°
C4	C5	C6	F6	52.7°	175.0°
C5	C4	C3	H3	59.3°	62.9°
C5	C4	O4	HO4	58.6°	60.3°
C4	C5	C6	H61	173.0°	55.1°
C4	C5	C6	H62	67.6°	64.9°
O1	C1	O5	H1	123.0°	120.0°
O1	C1	O5	C5	179.1°	178.8°
O1	C1	C2	H2	59.4°	57.6°
C1	O1	CM	HM1	180.0°	60.0°
C1	O1	CM	HM2	60.0°	60.0°
C1	O1	CM	HM3	60.0°	180.0°
O5	C1	O1	CM	74.9°	65.1°
C1	O5	C5	C6	175.0°	178.8°
O5	C1	C2	H2	58.8°	62.3°
C1	O5	C5	H5	56.2°	58.8°
CM	O1	C1	H1	48.0°	54.9°
O1	CM	HM1	HM2	120.0°	120.0°
O1	CM	HM1	HM3	120.0°	120.0°
O1	CM	HM2	HM3	120.0°	120.0°
O5	C5	C6	H5	119.7°	120.0°
O5	C5	C6	F6	65.4°	65.1°
C5	O5	C1	H1	56.0°	58.8°
O5	C5	C4	H4	61.8°	62.3°
O5	C5	C6	H61	54.9°	174.9°
O5	C5	C6	H62	174.3°	55.0°
C5	C6	F6	H61	120.3°	119.9°
C5	C6	F6	H62	120.3°	120.1°
C6	C5	C4	H4	56.4°	57.6°
C5	C6	H61	H62	119.1°	120.0°
F6	C6	C5	H5	174.9°	54.9°
F6	C6	H61	H62	119.1°	120.1°
HN2	N2	C2	H2	160.8°	145.1°
H3	C3	C2	H2	177.4°	177.1°
H3	C3	C4	H4	178.6°	177.2°
H3	C3	O3	HO3	60.3°	59.8°
H2	C2	C1	H1	179.9°	177.6°
HM1	CM	HM2	HM3	120.0°	119.9°
H81	C8	H82	H83	120.0°	120.0°
H4	C4	O4	HO4	59.4°	59.9°
H4	C4	C5	H5	178.7°	177.7°
H5	C5	C6	H61	64.8°	65.0°
H5	C5	C6	H62	54.6°	175.0°

Release date:	2026-02-18
Definition date:	2025-01-30
Last modified:	2026-02-13
Release status:	REL
Processing site:	PDBE
Derived from:	9I4N