A1DX8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C3	C4	sing	1.55Å	1.53Å
C3	C2	sing	1.54Å	1.53Å
C5	C6	sing	1.54Å	1.54Å
C5	C4	sing	1.55Å	1.53Å
C6	C2	sing	1.54Å	1.54Å
C6	O2	sing	1.43Å	1.42Å
C2	N1	sing	1.47Å	1.46Å
N1	C1	sing	1.35Å	1.34Å
O1	C1	doub	1.22Å	1.22Å
C1	C7	sing	1.48Å	1.50Å
C7	N2	doub	1.33Å	1.36Å	Aromatic
C7	C12	sing	1.40Å	1.43Å	Aromatic
N2	C8	sing	1.32Å	1.34Å	Aromatic
C11	C12	sing	1.46Å	1.45Å	Aromatic
C11	C10	doub	1.34Å	1.38Å	Aromatic
C12	C9	doub	1.42Å	1.42Å	Aromatic
C8	N3	doub	1.32Å	1.34Å	Aromatic
C10	N4	sing	1.37Å	1.39Å	Aromatic
C9	N3	sing	1.33Å	1.36Å	Aromatic
C9	N4	sing	1.37Å	1.38Å	Aromatic
C11	H14	sing	1.08Å	1.08Å
C10	H13	sing	1.08Å	1.08Å
C2	H2	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C4	H5	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C8	H11	sing	1.08Å	1.08Å
N1	H1	sing	0.97Å	1.00Å
N4	H12	sing	0.97Å	1.00Å
O2	H10	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C3	C2	104.1°	104.2°
C3	C4	C5	105.5°	102.8°
C4	C3	H4	110.8°	110.5°
C4	C3	H3	110.8°	110.5°
C3	C4	H6	110.5°	110.8°
C3	C4	H5	110.5°	110.7°
C3	C2	C6	104.9°	106.7°
C3	C2	N1	109.7°	110.0°
C3	C2	H2	109.9°	110.0°
C2	C3	H4	110.8°	110.5°
C2	C3	H3	110.8°	110.5°
C6	C5	C4	107.2°	104.2°
C5	C6	C2	105.7°	106.5°
C5	C6	O2	110.9°	110.0°
C6	C5	H7	110.0°	110.5°
C6	C5	H8	110.1°	110.5°
C5	C6	H9	108.9°	110.0°
C5	C4	H6	110.5°	110.8°
C5	C4	H5	110.4°	110.9°
C4	C5	H7	110.1°	110.4°
C4	C5	H8	110.0°	110.5°
C2	C6	O2	111.7°	110.1°
C6	C2	N1	111.5°	110.0°
C6	C2	H2	109.7°	110.0°
C2	C6	H9	108.8°	110.1°
O2	C6	H9	110.6°	110.1°
C6	O2	H10	109.5°	114.0°
C2	N1	C1	126.2°	120.0°
N1	C2	H2	111.0°	110.0°
C2	N1	H1	116.9°	120.0°
N1	C1	O1	122.8°	120.0°
N1	C1	C7	115.5°	120.0°
C1	N1	H1	116.9°	120.0°
O1	C1	C7	121.7°	120.0°
C1	C7	N2	119.0°	120.9°
C1	C7	C12	121.8°	120.9°
N2	C7	C12	119.1°	118.2°
C7	N2	C8	119.2°	121.1°
C7	C12	C11	138.4°	135.3°
C7	C12	C9	114.7°	118.6°
N2	C8	N3	128.5°	122.9°
N2	C8	H11	115.8°	118.5°
C12	C11	C10	107.2°	106.9°
C11	C12	C9	106.9°	106.1°
C12	C11	H14	126.4°	126.5°
C11	C10	N4	108.7°	110.0°
C10	C11	H14	126.4°	126.6°
C11	C10	H13	125.7°	125.0°
C12	C9	N3	126.5°	118.5°
C12	C9	N4	106.9°	107.0°
C8	N3	C9	112.0°	120.8°
N3	C8	H11	115.8°	118.6°
C10	N4	C9	110.2°	110.0°
N4	C10	H13	125.6°	125.0°
C10	N4	H12	124.9°	125.0°
N3	C9	N4	126.6°	134.5°
C9	N4	H12	124.9°	125.0°
H4	C3	H3	109.5°	110.6°
H6	C4	H5	109.5°	110.7°
H7	C5	H8	109.4°	110.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C3	C2	H4	119.1°	118.6°
C4	C3	C2	H3	119.1°	118.7°
C3	C4	C5	C6	18.7°	38.0°
C3	C4	C5	H6	119.4°	118.3°
C3	C4	C5	H5	119.4°	118.4°
C4	C3	C2	C6	35.3°	23.6°
C4	C3	C2	N1	84.5°	142.9°
C4	C3	C2	H2	153.2°	95.7°
C4	C3	H4	H3	122.5°	122.6°
C3	C4	H6	H5	121.9°	123.2°
C3	C4	C5	H7	138.3°	156.6°
C3	C4	C5	H8	101.0°	80.7°
C3	C2	C6	C5	23.7°	0.0°
C2	C3	C4	C5	33.3°	38.0°
C3	C2	C6	N1	118.6°	119.3°
C3	C2	C6	H2	118.0°	119.3°
C3	C2	C6	O2	144.5°	119.2°
C3	C2	N1	H2	121.6°	121.4°
C3	C2	N1	C1	67.0°	87.1°
C2	C3	H4	H3	122.5°	122.7°
C2	C3	C4	H6	152.7°	80.4°
C2	C3	C4	H5	86.0°	156.5°
C3	C2	C6	H9	93.2°	119.3°
C3	C2	N1	H1	113.0°	92.9°
C6	C5	C4	H7	119.6°	118.6°
C6	C5	C4	H8	119.7°	118.7°
C5	C6	C2	O2	120.7°	119.2°
C5	C6	C2	H9	116.9°	119.3°
C5	C6	O2	H9	121.0°	121.4°
C5	C6	C2	N1	94.9°	119.2°
C5	C6	C2	H2	141.7°	119.4°
C6	C5	C4	H6	138.0°	80.3°
C6	C5	C4	H5	100.7°	156.4°
C6	C5	H7	H8	121.1°	122.7°
C5	C6	O2	H10	180.0°	61.5°
C4	C5	C6	C2	3.2°	23.7°
C4	C5	C6	O2	124.4°	142.9°
C5	C4	C3	H4	152.5°	156.6°
C5	C4	C3	H3	85.8°	80.7°
C5	C4	H6	H5	121.8°	123.4°
C4	C5	H7	H8	121.0°	122.6°
C4	C5	C6	H9	113.6°	95.7°
C2	C6	O2	H9	121.4°	121.6°
C6	C2	N1	H2	122.6°	121.4°
C6	C2	N1	C1	177.3°	155.7°
C6	C2	C3	H4	154.4°	142.2°
C6	C2	C3	H3	83.8°	95.1°
C2	C6	C5	H7	116.5°	142.2°
C2	C6	C5	H8	122.8°	95.0°
C6	C2	N1	H1	2.8°	24.3°
C2	C6	O2	H10	62.4°	178.6°
O2	C6	C2	N1	25.8°	0.1°
O2	C6	C2	H2	97.5°	121.4°
O2	C6	C5	H7	4.7°	98.5°
O2	C6	C5	H8	116.0°	24.2°
C2	N1	C1	H1	180.0°	180.0°
C2	N1	C1	O1	0.1°	0.0°
C2	N1	C1	C7	179.0°	180.0°
N1	C2	C3	H4	34.6°	98.5°
N1	C2	C3	H3	156.3°	24.2°
N1	C2	C6	H9	148.2°	121.5°
N1	C1	O1	C7	178.8°	180.0°
N1	C1	C7	N2	26.6°	0.0°
N1	C1	C7	C12	152.0°	180.0°
C1	N1	C2	H2	54.7°	34.3°
O1	C1	C7	N2	154.4°	180.0°
O1	C1	C7	C12	26.9°	0.0°
O1	C1	N1	H1	179.9°	180.0°
C1	C7	N2	C12	178.7°	180.0°
C1	C7	N2	C8	179.4°	180.0°
C1	C7	C12	C11	0.4°	0.0°
C1	C7	C12	C9	178.9°	180.0°
C7	C1	N1	H1	1.0°	0.0°
N2	C7	C12	C11	179.0°	180.0°
N2	C7	C12	C9	0.3°	0.0°
C7	N2	C8	N3	0.4°	0.0°
C7	N2	C8	H11	179.7°	180.0°
C12	C7	N2	C8	0.7°	0.0°
C7	C12	C11	C9	179.4°	179.9°
C7	C12	C11	C10	179.4°	180.0°
C7	C12	C9	N3	0.5°	0.0°
C7	C12	C9	N4	179.9°	180.0°
C7	C12	C11	H14	0.7°	0.2°
N2	C8	N3	H11	180.0°	179.9°
N2	C8	N3	C9	0.3°	0.0°
C12	C11	C10	H14	180.0°	179.8°
C12	C11	C10	N4	0.4°	0.0°
C11	C12	C9	N3	180.0°	180.0°
C11	C12	C9	N4	0.3°	0.0°
C12	C11	C10	H13	179.7°	180.0°
C10	C11	C12	C9	0.0°	0.0°
C11	C10	N4	H13	180.0°	180.0°
C11	C10	N4	C9	0.6°	0.0°
C11	C10	N4	H12	179.4°	180.0°
C12	C9	N3	C8	0.8°	0.1°
C12	C9	N4	C10	0.5°	0.0°
C12	C9	N3	N4	179.6°	179.9°
C9	C12	C11	H14	179.9°	179.7°
C12	C9	N4	H12	179.5°	180.0°
C8	N3	C9	N4	179.6°	180.0°
C10	N4	C9	N3	179.8°	180.0°
C10	N4	C9	H12	180.0°	180.0°
N4	C10	C11	H14	179.6°	179.7°
C9	N3	C8	H11	179.6°	180.0°
N3	C9	N4	H12	0.2°	0.1°
C9	N4	C10	H13	179.4°	180.0°
H14	C11	C10	H13	0.4°	0.2°
H13	C10	N4	H12	0.5°	0.0°
H2	C2	C3	H4	87.7°	22.9°
H2	C2	C3	H3	34.1°	145.6°
H2	C2	C6	H9	24.9°	0.1°
H2	C2	N1	H1	125.4°	145.7°
H4	C3	C4	H6	88.2°	38.3°
H4	C3	C4	H5	33.1°	84.9°
H3	C3	C4	H6	33.6°	161.0°
H3	C3	C4	H5	154.9°	37.8°
H6	C4	C5	H7	102.3°	38.3°
H6	C4	C5	H8	18.4°	161.0°
H5	C4	C5	H7	19.0°	85.0°
H5	C4	C5	H8	139.7°	37.7°
H7	C5	C6	H9	126.7°	22.9°
H8	C5	C6	H9	6.0°	145.6°
H9	C6	O2	H10	59.0°	59.9°

Release date:	2026-11-04
Definition date:	2026-08-25
Last modified:	2026-10-30
Release status:	REL
Processing site:	RCSB
Derived from:	15GL