A1IV7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C10	doub	1.39Å	1.39Å	Aromatic
C11	C12	sing	1.38Å	1.37Å	Aromatic
C10	C9	sing	1.37Å	1.37Å	Aromatic
C12	C13	doub	1.39Å	1.39Å	Aromatic
C9	C8	doub	1.40Å	1.39Å	Aromatic
C13	C8	sing	1.41Å	1.41Å	Aromatic
C13	N2	sing	1.38Å	1.38Å	Aromatic
C8	C7	sing	1.46Å	1.43Å	Aromatic
C1	N1	sing	1.47Å	1.47Å
C1	C2	sing	1.53Å	1.52Å
C5	N1	sing	1.47Å	1.47Å
C5	C4	sing	1.53Å	1.52Å
C3	N2	sing	1.46Å	1.47Å
C3	C2	sing	1.53Å	1.53Å
C3	C4	sing	1.53Å	1.53Å
N2	C6	sing	1.37Å	1.38Å	Aromatic
C7	C6	doub	1.34Å	1.36Å	Aromatic
N1	H1	sing	1.01Å	1.00Å
C4	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.08Å	1.08Å
C7	H8	sing	1.08Å	1.08Å
C10	H9	sing	1.08Å	1.08Å
C1	H10	sing	1.09Å	1.10Å
C1	H11	sing	1.09Å	1.10Å
C2	H12	sing	1.09Å	1.10Å
C2	H13	sing	1.09Å	1.10Å
C3	H14	sing	1.09Å	1.10Å
C9	H15	sing	1.08Å	1.08Å
C11	H16	sing	1.08Å	1.08Å
C12	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C11	C12	121.4°	120.7°
C11	C10	C9	121.2°	120.5°
C11	C10	H9	119.4°	119.7°
C10	C11	H16	119.3°	119.7°
C11	C12	C13	117.4°	119.8°
C12	C11	H16	119.3°	119.7°
C11	C12	H17	121.3°	120.1°
C10	C9	C8	118.9°	119.8°
C9	C10	H9	119.4°	119.7°
C10	C9	H15	120.5°	120.1°
C12	C13	C8	122.0°	119.3°
C12	C13	N2	130.3°	133.5°
C13	C12	H17	121.3°	120.1°
C9	C8	C13	119.0°	119.9°
C9	C8	C7	134.6°	134.0°
C8	C9	H15	120.5°	120.1°
C8	C13	N2	107.7°	107.2°
C13	C8	C7	106.4°	106.0°
C13	N2	C3	126.2°	125.1°
C13	N2	C6	108.8°	109.8°
C8	C7	C6	107.8°	107.0°
C8	C7	H8	126.1°	126.5°
N1	C1	C2	111.9°	109.5°
C1	N1	C5	113.5°	111.2°
C1	N1	H1	108.4°	111.0°
N1	C1	H10	108.8°	109.5°
N1	C1	H11	108.9°	109.4°
C1	C2	C3	108.3°	109.3°
C2	C1	H10	108.9°	109.5°
C2	C1	H11	108.9°	109.5°
C1	C2	H12	109.8°	109.5°
C1	C2	H13	109.8°	109.5°
N1	C5	C4	111.9°	109.5°
C5	N1	H1	108.5°	111.0°
N1	C5	H5	108.9°	109.4°
N1	C5	H6	108.9°	109.5°
C5	C4	C3	108.2°	109.3°
C5	C4	H3	109.8°	109.5°
C5	C4	H4	109.8°	109.5°
C4	C5	H5	108.8°	109.5°
C4	C5	H6	108.9°	109.5°
N2	C3	C2	114.7°	109.5°
N2	C3	C4	115.6°	109.5°
C3	N2	C6	124.9°	125.1°
N2	C3	H14	104.8°	109.6°
C2	C3	C4	111.6°	109.1°
C3	C2	H12	109.7°	109.5°
C3	C2	H13	109.8°	109.6°
C2	C3	H14	104.3°	109.5°
C3	C4	H3	109.8°	109.5°
C3	C4	H4	109.8°	109.6°
C4	C3	H14	104.3°	109.5°
N2	C6	C7	109.3°	110.0°
N2	C6	H7	125.4°	125.0°
C7	C6	H7	125.4°	125.0°
C6	C7	H8	126.1°	126.5°
H3	C4	H4	109.5°	109.5°
H5	C5	H6	109.5°	109.5°
H10	C1	H11	109.5°	109.5°
H12	C2	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C11	C12	H16	180.0°	179.9°
C11	C10	C9	H9	180.0°	179.9°
C10	C11	C12	C13	0.3°	0.0°
C11	C10	C9	C8	3.2°	0.0°
C11	C10	C9	H15	176.8°	180.0°
C10	C11	C12	H17	179.7°	180.0°
C12	C11	C10	C9	1.9°	0.0°
C11	C12	C13	H17	180.0°	179.9°
C11	C12	C13	C8	1.1°	0.0°
C11	C12	C13	N2	179.9°	179.7°
C12	C11	C10	H9	178.1°	180.0°
C10	C9	C8	H15	180.0°	180.0°
C10	C9	C8	C13	2.4°	0.0°
C10	C9	C8	C7	179.6°	179.9°
C9	C10	C11	H16	178.1°	180.0°
C12	C13	C8	C9	0.3°	0.0°
C12	C13	C8	N2	179.1°	179.8°
C12	C13	C8	C7	178.2°	180.0°
C12	C13	N2	C3	2.0°	0.2°
C12	C13	N2	C6	177.5°	179.9°
C13	C12	C11	H16	179.7°	180.0°
C9	C8	C13	C7	177.9°	179.9°
C9	C8	C13	N2	178.8°	179.8°
C9	C8	C7	C6	177.4°	179.9°
C9	C8	C7	H8	2.6°	0.1°
C8	C9	C10	H9	176.8°	179.9°
C8	C13	N2	C3	179.0°	179.9°
C8	C13	N2	C6	1.5°	0.4°
C13	C8	C7	C6	0.1°	0.0°
C13	C8	C7	H8	180.0°	180.0°
C13	C8	C9	H15	177.6°	180.0°
C8	C13	C12	H17	178.9°	179.9°
N2	C13	C8	C7	0.9°	0.2°
C13	N2	C3	C6	179.4°	179.6°
C13	N2	C3	C2	101.2°	120.0°
C13	N2	C3	C4	126.8°	120.4°
C13	N2	C6	C7	1.6°	0.4°
C13	N2	C6	H7	178.4°	179.8°
C13	N2	C3	H14	12.6°	0.2°
N2	C13	C12	H17	0.1°	0.2°
C8	C7	C6	N2	1.0°	0.2°
C8	C7	C6	H8	180.0°	180.0°
C8	C7	C6	H7	179.0°	180.0°
C7	C8	C9	H15	0.4°	0.1°
N1	C1	C2	H10	120.3°	120.0°
N1	C1	C2	H11	120.4°	120.0°
C1	N1	C5	H1	120.6°	124.2°
C1	N1	C5	C4	55.0°	61.7°
N1	C1	C2	C3	55.3°	59.2°
C1	N1	C5	H5	65.4°	58.3°
C1	N1	C5	H6	175.3°	178.3°
N1	C1	H10	H11	118.9°	119.9°
N1	C1	C2	H12	64.6°	60.8°
N1	C1	C2	H13	175.1°	179.2°
C2	C1	N1	C5	54.9°	61.7°
C1	C2	C3	N2	167.6°	177.6°
C1	C2	C3	H12	119.8°	120.0°
C1	C2	C3	H13	119.8°	120.0°
C1	C2	C3	C4	58.4°	57.6°
C2	C1	N1	H1	175.5°	174.1°
C2	C1	H10	H11	118.9°	120.0°
C1	C2	H12	H13	120.5°	120.0°
C1	C2	C3	H14	53.5°	62.3°
N1	C5	C4	H5	120.4°	119.9°
N1	C5	C4	H6	120.4°	120.1°
N1	C5	C4	C3	55.3°	59.1°
N1	C5	C4	H3	175.1°	179.1°
N1	C5	C4	H4	64.5°	60.9°
N1	C5	H5	H6	118.9°	120.0°
C5	N1	C1	H10	175.3°	178.3°
C5	N1	C1	H11	65.5°	58.3°
C5	C4	C3	N2	168.1°	177.6°
C5	C4	C3	C2	58.4°	57.6°
C5	C4	C3	H3	119.8°	119.9°
C5	C4	C3	H4	119.8°	120.0°
C4	C5	N1	H1	175.6°	174.2°
C5	C4	H3	H4	120.6°	120.0°
C4	C5	H5	H6	118.9°	120.0°
C5	C4	C3	H14	53.6°	62.3°
N2	C3	C2	C4	134.0°	119.9°
N2	C3	C2	H14	114.1°	120.2°
N2	C3	C4	H14	114.5°	120.2°
C3	N2	C6	C7	178.9°	179.9°
N2	C3	C4	H3	48.3°	62.5°
N2	C3	C4	H4	72.1°	57.6°
C3	N2	C6	H7	1.1°	0.1°
N2	C3	C2	H12	72.6°	57.6°
N2	C3	C2	H13	47.8°	62.5°
C2	C3	C4	H14	112.0°	119.9°
C2	C3	N2	C6	79.4°	60.4°
C2	C3	C4	H3	178.2°	177.6°
C2	C3	C4	H4	61.4°	62.3°
C3	C2	C1	H10	175.6°	179.2°
C3	C2	C1	H11	65.1°	60.8°
C3	C2	H12	H13	120.5°	120.1°
C4	C3	N2	C6	52.7°	59.3°
C3	C4	H3	H4	120.6°	120.1°
C3	C4	C5	H5	65.0°	60.8°
C3	C4	C5	H6	175.7°	179.2°
C4	C3	C2	H12	61.4°	62.3°
C4	C3	C2	H13	178.3°	177.6°
N2	C6	C7	H7	180.0°	179.8°
N2	C6	C7	H8	179.0°	179.8°
C6	N2	C3	H14	166.8°	179.4°
H1	N1	C5	H5	55.2°	65.9°
H1	N1	C5	H6	64.1°	54.1°
H1	N1	C1	H10	64.1°	54.1°
H1	N1	C1	H11	55.1°	65.8°
H3	C4	C5	H5	54.8°	59.2°
H3	C4	C5	H6	64.5°	60.8°
H3	C4	C3	H14	66.2°	57.7°
H4	C4	C5	H5	175.1°	179.2°
H4	C4	C5	H6	55.9°	59.2°
H4	C4	C3	H14	173.4°	177.8°
H7	C6	C7	H8	1.0°	0.0°
H9	C10	C9	H15	3.2°	0.0°
H9	C10	C11	H16	1.9°	0.1°
H10	C1	C2	H12	55.8°	59.2°
H10	C1	C2	H13	64.6°	60.8°
H11	C1	C2	H12	175.1°	179.2°
H11	C1	C2	H13	54.7°	59.2°
H12	C2	C3	H14	173.4°	177.8°
H13	C2	C3	H14	66.3°	57.7°
H16	C11	C12	H17	0.3°	0.1°

Release date:	2025-12-03
Definition date:	2024-12-05
Last modified:	2025-11-28
Release status:	REL
Processing site:	PDBE
Derived from:	9HLP