A1AR8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	sing	1.40Å	1.47Å
C1	C8	doub	1.39Å	1.40Å	Aromatic
C1	C12	sing	1.39Å	1.40Å	Aromatic
N1	C2	sing	1.40Å	1.45Å
N1	C7	sing	1.35Å	1.40Å
C2	C3	doub	1.39Å	1.40Å	Aromatic
C2	C4	sing	1.39Å	1.39Å	Aromatic
C3	N2	sing	1.32Å	1.35Å	Aromatic
C4	C5	doub	1.39Å	1.38Å	Aromatic
C5	C6	sing	1.38Å	1.38Å	Aromatic
C5	CL1	sing	1.74Å	1.73Å
C6	N2	doub	1.32Å	1.33Å	Aromatic
C7	C13	sing	1.51Å	1.52Å
C7	O1	doub	1.21Å	1.22Å
C8	C9	sing	1.38Å	1.39Å	Aromatic
C9	C10	doub	1.38Å	1.38Å	Aromatic
C10	C11	sing	1.38Å	1.38Å	Aromatic
C11	C12	doub	1.38Å	1.40Å	Aromatic
C13	C14	sing	1.53Å	1.51Å
C14	C15	sing	1.51Å	1.49Å
C15	O2	sing	1.34Å	1.34Å
C15	O3	doub	1.21Å	1.21Å
O2	C16	sing	1.45Å	1.46Å
C4	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.08Å	1.08Å
C10	H6	sing	1.08Å	1.08Å
C13	H14	sing	1.09Å	1.10Å
C13	H15	sing	1.09Å	1.10Å
C11	H7	sing	1.08Å	1.08Å
C12	H8	sing	1.08Å	1.08Å
C14	H10	sing	1.09Å	1.10Å
C14	H9	sing	1.09Å	1.10Å
C16	H13	sing	1.09Å	1.10Å
C16	H11	sing	1.09Å	1.10Å
C16	H12	sing	1.09Å	1.10Å
C3	H1	sing	1.08Å	1.08Å
C9	H5	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C1	C8	120.5°	120.1°
N1	C1	C12	121.0°	120.1°
C1	N1	C2	116.7°	120.0°
C1	N1	C7	129.0°	120.0°
C8	C1	C12	118.4°	119.8°
C1	C8	C9	120.9°	119.9°
C1	C8	H4	119.5°	120.0°
C1	C12	C11	120.0°	120.0°
C1	C12	H8	120.0°	120.0°
C2	N1	C7	114.3°	120.0°
N1	C2	C3	118.4°	120.5°
N1	C2	C4	123.1°	120.5°
N1	C7	C13	127.0°	120.0°
N1	C7	O1	119.7°	120.0°
C3	C2	C4	118.5°	119.0°
C2	C3	N2	123.8°	120.7°
C2	C3	H1	118.1°	119.7°
C2	C4	C5	117.0°	118.4°
C2	C4	H2	121.5°	120.8°
C3	N2	C6	117.0°	121.8°
N2	C3	H1	118.1°	119.6°
C4	C5	C6	121.0°	119.2°
C4	C5	CL1	120.2°	120.4°
C5	C4	H2	121.5°	120.8°
C6	C5	CL1	118.7°	120.4°
C5	C6	N2	122.6°	120.9°
C5	C6	H3	118.7°	119.6°
N2	C6	H3	118.7°	119.5°
C13	C7	O1	113.2°	120.0°
C7	C13	C14	114.6°	109.5°
C7	C13	H14	108.2°	109.5°
C7	C13	H15	108.2°	109.5°
C8	C9	C10	120.3°	120.1°
C9	C8	H4	119.6°	120.1°
C8	C9	H5	119.8°	120.0°
C9	C10	C11	119.3°	120.1°
C9	C10	H6	120.3°	119.9°
C10	C9	H5	119.9°	119.9°
C10	C11	C12	121.1°	120.1°
C11	C10	H6	120.4°	120.0°
C10	C11	H7	119.4°	119.9°
C12	C11	H7	119.5°	120.0°
C11	C12	H8	120.0°	120.0°
C13	C14	C15	111.9°	109.5°
C14	C13	H14	108.2°	109.5°
C14	C13	H15	108.2°	109.5°
C13	C14	H10	108.9°	109.4°
C13	C14	H9	108.9°	109.5°
C14	C15	O2	112.0°	120.0°
C14	C15	O3	122.1°	120.0°
C15	C14	H10	108.8°	109.5°
C15	C14	H9	108.8°	109.5°
O2	C15	O3	125.9°	120.0°
C15	O2	C16	118.2°	117.0°
O2	C16	H13	109.5°	109.4°
O2	C16	H11	109.4°	109.5°
O2	C16	H12	109.5°	109.5°
H14	C13	H15	109.5°	109.4°
H10	C14	H9	109.5°	109.5°
H13	C16	H11	109.5°	109.5°
H13	C16	H12	109.5°	109.5°
H11	C16	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C1	C8	C12	178.4°	180.0°
C1	N1	C2	C7	179.4°	179.8°
C1	N1	C2	C3	113.7°	67.8°
C1	N1	C2	C4	67.2°	112.1°
C1	N1	C7	C13	3.1°	5.4°
C1	N1	C7	O1	178.5°	174.6°
N1	C1	C8	C9	179.5°	180.0°
N1	C1	C12	C11	179.2°	180.0°
N1	C1	C8	H4	0.5°	0.3°
N1	C1	C12	H8	0.8°	0.0°
C8	C1	N1	C2	90.8°	68.1°
C8	C1	N1	C7	89.9°	111.7°
C1	C8	C9	H4	180.0°	179.7°
C1	C8	C9	C10	0.8°	0.3°
C8	C1	C12	C11	0.9°	0.0°
C8	C1	C12	H8	179.2°	180.0°
C1	C8	C9	H5	179.2°	179.8°
C12	C1	N1	C2	87.5°	111.9°
C12	C1	N1	C7	91.8°	68.3°
C12	C1	C8	C9	1.1°	0.0°
C1	C12	C11	C10	0.3°	0.3°
C1	C12	C11	H8	180.0°	180.0°
C12	C1	C8	H4	178.9°	179.7°
C1	C12	C11	H7	179.7°	179.7°
N1	C2	C3	C4	179.2°	179.9°
N1	C2	C3	N2	178.9°	179.4°
N1	C2	C4	C5	179.4°	180.0°
C2	N1	C7	C13	176.2°	174.8°
C2	N1	C7	O1	0.8°	5.3°
N1	C2	C4	H2	0.6°	0.4°
N1	C2	C3	H1	1.1°	0.0°
C7	N1	C2	C3	65.7°	112.4°
C7	N1	C2	C4	113.4°	67.7°
N1	C7	C13	O1	175.7°	180.0°
N1	C7	C13	C14	44.9°	178.5°
N1	C7	C13	H14	165.7°	61.5°
N1	C7	C13	H15	75.8°	58.4°
C2	C3	N2	H1	180.0°	179.4°
C3	C2	C4	C5	0.3°	0.1°
C2	C3	N2	C6	0.3°	0.8°
C3	C2	C4	H2	179.7°	179.7°
C4	C2	C3	N2	0.2°	0.5°
C2	C4	C5	H2	180.0°	179.7°
C2	C4	C5	C6	0.7°	0.3°
C2	C4	C5	CL1	179.7°	179.7°
C4	C2	C3	H1	179.8°	179.9°
C3	N2	C6	C5	0.1°	0.6°
C3	N2	C6	H3	179.9°	179.4°
C4	C5	C6	CL1	179.7°	180.0°
C4	C5	C6	N2	0.6°	0.0°
C4	C5	C6	H3	179.4°	180.0°
C5	C6	N2	H3	180.0°	180.0°
C6	C5	C4	H2	179.3°	180.0°
CL1	C5	C6	N2	179.8°	180.0°
CL1	C5	C4	H2	0.3°	0.1°
CL1	C5	C6	H3	0.2°	0.0°
C6	N2	C3	H1	179.7°	179.7°
C7	C13	C14	H14	120.8°	120.0°
C7	C13	C14	H15	120.8°	120.0°
C7	C13	C14	C15	166.8°	180.0°
C7	C13	H14	H15	117.6°	120.0°
C7	C13	C14	H10	72.8°	60.0°
C7	C13	C14	H9	46.5°	60.0°
O1	C7	C13	C14	139.4°	1.6°
O1	C7	C13	H14	18.6°	118.4°
O1	C7	C13	H15	99.8°	121.6°
C8	C9	C10	H5	180.0°	180.0°
C8	C9	C10	C11	0.2°	0.5°
C8	C9	C10	H6	179.8°	180.0°
C9	C10	C11	H6	180.0°	179.5°
C9	C10	C11	C12	0.0°	0.5°
C10	C9	C8	H4	179.2°	179.9°
C9	C10	C11	H7	180.0°	179.5°
C10	C11	C12	H7	180.0°	180.0°
C10	C11	C12	H8	179.7°	179.7°
C11	C10	C9	H5	179.8°	179.5°
C12	C11	C10	H6	180.0°	180.0°
C13	C14	C15	H10	120.4°	120.0°
C13	C14	C15	H9	120.4°	120.0°
C13	C14	C15	O2	135.5°	180.0°
C13	C14	C15	O3	44.5°	0.0°
C14	C13	H14	H15	117.7°	120.0°
C13	C14	H10	H9	118.9°	120.0°
C14	C15	O2	O3	180.0°	180.0°
C14	C15	O2	C16	85.1°	180.0°
C15	C14	C13	H14	46.1°	60.0°
C15	C14	C13	H15	72.4°	60.0°
C15	C14	H10	H9	118.9°	120.1°
O2	C15	C14	H10	104.1°	60.0°
O2	C15	C14	H9	15.1°	60.0°
C15	O2	C16	H13	180.0°	60.0°
C15	O2	C16	H11	60.0°	60.0°
C15	O2	C16	H12	60.0°	180.0°
O3	C15	O2	C16	94.9°	0.0°
O3	C15	C14	H10	75.9°	120.0°
O3	C15	C14	H9	164.9°	120.0°
O2	C16	H13	H11	120.0°	120.0°
O2	C16	H13	H12	120.0°	120.0°
O2	C16	H11	H12	120.0°	120.0°
H4	C8	C9	H5	0.8°	0.1°
H6	C10	C11	H7	0.0°	0.1°
H6	C10	C9	H5	0.2°	0.0°
H14	C13	C14	H10	166.4°	180.0°
H14	C13	C14	H9	74.3°	60.0°
H15	C13	C14	H10	48.0°	60.0°
H15	C13	C14	H9	167.3°	180.0°
H7	C11	C12	H8	0.3°	0.3°
H13	C16	H11	H12	120.0°	120.0°

Release date:	2025-05-14
Definition date:	2024-05-15
Last modified:	2025-05-09
Release status:	REL
Processing site:	RCSB
Derived from:	9BSG