A1I32

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.52Å
C2	O1	doub	1.21Å	1.22Å
C2	N1	sing	1.35Å	1.35Å
N1	C3	sing	1.38Å	1.42Å
C3	C4	doub	1.37Å	1.37Å
C4	C5	sing	1.40Å	1.44Å
C5	N2	sing	1.34Å	1.36Å
N2	C6	sing	1.38Å	1.38Å
C6	C7	doub	1.39Å	1.39Å	Aromatic
C7	C8	sing	1.38Å	1.37Å	Aromatic
C8	C9	doub	1.39Å	1.40Å	Aromatic
C9	C10	sing	1.38Å	1.37Å	Aromatic
C10	C11	doub	1.40Å	1.41Å	Aromatic
C5	O2	doub	1.22Å	1.25Å
C3	C11	sing	1.47Å	1.43Å
C6	C11	sing	1.41Å	1.41Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C10	H9	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C7	H6	sing	1.08Å	1.08Å
C8	H7	sing	1.08Å	1.08Å
C9	H8	sing	1.08Å	1.08Å
N1	H3	sing	0.97Å	1.00Å
N2	H5	sing	0.97Å	1.00Å
C1	CL1	sing	1.80Å	1.78Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	O1	121.4°	120.0°
C1	C2	N1	115.2°	120.0°
C2	C1	H1	109.8°	109.5°
C2	C1	H2	109.8°	109.4°
C2	C1	CL1	108.0°	109.5°
O1	C2	N1	123.3°	120.0°
C2	N1	C3	127.1°	120.0°
C2	N1	H3	116.5°	120.0°
N1	C3	C4	122.3°	120.9°
N1	C3	C11	117.9°	120.8°
C3	N1	H3	116.5°	120.0°
C3	C4	C5	120.9°	120.2°
C4	C3	C11	119.8°	118.3°
C3	C4	H4	119.5°	119.9°
C4	C5	N2	117.0°	121.8°
C4	C5	O2	123.6°	119.0°
C5	C4	H4	119.5°	120.0°
C5	N2	C6	124.3°	121.2°
N2	C5	O2	119.4°	119.1°
C5	N2	H5	117.9°	119.4°
N2	C6	C7	120.7°	120.9°
N2	C6	C11	119.0°	119.6°
C6	N2	H5	117.9°	119.5°
C6	C7	C8	120.0°	119.9°
C7	C6	C11	120.2°	119.5°
C6	C7	H6	120.0°	120.1°
C7	C8	C9	120.7°	120.7°
C8	C7	H6	120.0°	120.0°
C7	C8	H7	119.6°	119.7°
C8	C9	C10	119.9°	120.4°
C9	C8	H7	119.7°	119.7°
C8	C9	H8	120.0°	119.8°
C9	C10	C11	120.5°	119.6°
C9	C10	H9	119.7°	120.2°
C10	C9	H8	120.0°	119.8°
C10	C11	C3	122.5°	121.1°
C10	C11	C6	118.6°	120.0°
C11	C10	H9	119.8°	120.2°
C3	C11	C6	119.0°	118.9°
H1	C1	H2	109.5°	109.5°
H1	C1	CL1	109.8°	109.5°
H2	C1	CL1	109.9°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	O1	N1	179.1°	179.9°
C1	C2	N1	C3	164.8°	175.0°
C2	C1	H1	H2	120.7°	120.0°
C2	C1	H1	CL1	118.6°	120.0°
C2	C1	H2	CL1	118.6°	120.0°
C1	C2	N1	H3	15.3°	5.0°
O1	C2	N1	C3	16.1°	4.9°
O1	C2	C1	H1	46.7°	119.9°
O1	C2	C1	H2	167.2°	120.0°
O1	C2	N1	H3	163.9°	175.1°
O1	C2	C1	CL1	73.0°	0.1°
C2	N1	C3	H3	180.0°	180.0°
C2	N1	C3	C4	17.1°	120.0°
C2	N1	C3	C11	162.9°	60.0°
N1	C2	C1	H1	132.5°	60.0°
N1	C2	C1	H2	12.0°	60.1°
N1	C2	C1	CL1	107.8°	180.0°
N1	C3	C4	C11	180.0°	180.0°
N1	C3	C4	C5	179.7°	180.0°
N1	C3	C11	C10	0.0°	0.0°
N1	C3	C11	C6	179.5°	180.0°
N1	C3	C4	H4	0.3°	0.0°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	N2	0.3°	0.0°
C4	C3	C11	C10	179.9°	180.0°
C3	C4	C5	O2	179.8°	180.0°
C4	C3	C11	C6	0.5°	0.0°
C4	C3	N1	H3	162.9°	59.9°
C4	C5	N2	O2	179.9°	180.0°
C4	C5	N2	C6	0.4°	0.0°
C5	C4	C3	C11	0.3°	0.0°
C4	C5	N2	H5	179.6°	180.0°
C5	N2	C6	H5	180.0°	180.0°
C5	N2	C6	C7	180.0°	180.0°
C5	N2	C6	C11	0.6°	0.0°
N2	C5	C4	H4	179.7°	180.0°
N2	C6	C7	C11	179.4°	179.9°
N2	C6	C7	C8	179.8°	180.0°
N2	C6	C11	C10	179.8°	180.0°
C6	N2	C5	O2	179.6°	180.0°
N2	C6	C11	C3	0.6°	0.0°
N2	C6	C7	H6	0.2°	0.1°
C6	C7	C8	H6	180.0°	179.9°
C6	C7	C8	C9	0.3°	0.3°
C7	C6	C11	C10	0.4°	0.0°
C7	C6	C11	C3	180.0°	180.0°
C6	C7	C8	H7	179.7°	180.0°
C7	C6	N2	H5	0.0°	0.0°
C7	C8	C9	H7	180.0°	179.7°
C7	C8	C9	C10	0.3°	0.6°
C8	C7	C6	C11	0.3°	0.1°
C7	C8	C9	H8	179.7°	180.0°
C8	C9	C10	H8	180.0°	179.4°
C8	C9	C10	C11	0.3°	0.7°
C8	C9	C10	H9	179.6°	179.7°
C9	C8	C7	H6	179.7°	179.6°
C9	C10	C11	H9	180.0°	179.6°
C9	C10	C11	C3	180.0°	179.7°
C9	C10	C11	C6	0.4°	0.4°
C10	C9	C8	H7	179.7°	179.6°
C10	C11	C3	C6	179.6°	180.0°
C11	C10	C9	H8	179.6°	180.0°
O2	C5	C4	H4	0.2°	0.0°
O2	C5	N2	H5	0.4°	0.0°
C3	C11	C10	H9	0.0°	0.1°
C11	C3	C4	H4	179.6°	180.0°
C11	C3	N1	H3	17.1°	120.1°
C6	C11	C10	H9	179.6°	179.9°
C11	C6	C7	H6	179.6°	180.0°
C11	C6	N2	H5	179.4°	179.9°
H1	C1	H2	CL1	120.7°	120.0°
H9	C10	C9	H8	0.4°	0.4°
H6	C7	C8	H7	0.3°	0.1°
H7	C8	C9	H8	0.3°	0.3°

Release date:	2026-03-04
Definition date:	2025-02-19
Last modified:	2026-02-27
Release status:	REL
Processing site:	PDBE
Derived from:	9IFK