A1DX5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5	C6	doub	1.31Å	1.33Å
C5	C4	sing	1.51Å	1.50Å
C6	C7	sing	1.51Å	1.50Å
C7	C2	sing	1.55Å	1.56Å
C4	C2	sing	1.55Å	1.56Å
C3	C2	sing	1.53Å	1.55Å
C3	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	1.23Å
C1	C8	sing	1.48Å	1.50Å
C12	C13	sing	1.46Å	1.44Å	Aromatic
C12	C11	doub	1.35Å	1.38Å	Aromatic
C8	C13	doub	1.40Å	1.43Å	Aromatic
C8	N2	sing	1.33Å	1.36Å	Aromatic
C13	C10	sing	1.42Å	1.42Å	Aromatic
N2	C9	doub	1.32Å	1.33Å	Aromatic
C11	N4	sing	1.37Å	1.39Å	Aromatic
C10	N4	sing	1.37Å	1.38Å	Aromatic
C10	N3	doub	1.33Å	1.36Å	Aromatic
C9	N3	sing	1.32Å	1.33Å	Aromatic
C11	H13	sing	1.08Å	1.08Å
C12	H14	sing	1.08Å	1.08Å
C3	H3	sing	1.09Å	1.10Å
C3	H2	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C4	H5	sing	1.09Å	1.10Å
C5	H7	sing	1.08Å	1.08Å
C6	H8	sing	1.08Å	1.08Å
C7	H10	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
C9	H11	sing	1.08Å	1.08Å
N1	H1	sing	0.97Å	1.00Å
N4	H12	sing	0.97Å	1.00Å
O2	H4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	C5	C4	112.5°	111.1°
C5	C6	C7	112.1°	111.1°
C6	C5	H7	123.8°	124.5°
C5	C6	H8	123.9°	124.4°
C5	C4	C2	104.7°	104.7°
C5	C4	H6	110.6°	110.4°
C5	C4	H5	110.6°	110.4°
C4	C5	H7	123.8°	124.4°
C6	C7	C2	104.5°	104.7°
C7	C6	H8	123.9°	124.4°
C6	C7	H10	110.7°	110.3°
C6	C7	H9	110.7°	110.4°
C7	C2	C4	105.1°	101.5°
C7	C2	C3	110.5°	111.1°
C7	C2	N1	109.5°	111.1°
C2	C7	H10	110.7°	110.4°
C2	C7	H9	110.7°	110.4°
C4	C2	C3	110.1°	111.0°
C4	C2	N1	108.8°	111.0°
C2	C4	H6	110.6°	110.4°
C2	C4	H5	110.7°	110.4°
C2	C3	O2	112.2°	109.5°
C3	C2	N1	112.6°	110.9°
C2	C3	H3	108.8°	109.5°
C2	C3	H2	108.8°	109.4°
O2	C3	H3	108.8°	109.4°
O2	C3	H2	108.8°	109.5°
C3	O2	H4	109.5°	114.0°
C2	N1	C1	126.1°	120.0°
C2	N1	H1	117.0°	120.0°
N1	C1	O1	122.6°	120.0°
N1	C1	C8	117.4°	120.0°
C1	N1	H1	116.9°	120.0°
O1	C1	C8	119.9°	120.0°
C1	C8	C13	121.7°	120.9°
C1	C8	N2	119.0°	120.9°
C13	C12	C11	107.0°	106.9°
C12	C13	C8	137.8°	135.3°
C12	C13	C10	107.5°	106.1°
C13	C12	H14	126.5°	126.5°
C12	C11	N4	108.7°	110.0°
C12	C11	H13	125.7°	125.1°
C11	C12	H14	126.5°	126.6°
C13	C8	N2	119.3°	118.2°
C8	C13	C10	114.7°	118.5°
C8	N2	C9	118.8°	121.1°
C13	C10	N4	106.4°	107.0°
C13	C10	N3	126.4°	118.5°
N2	C9	N3	128.8°	122.9°
N2	C9	H11	115.6°	118.5°
C11	N4	C10	110.5°	110.0°
N4	C11	H13	125.6°	125.0°
C11	N4	H12	124.8°	125.0°
N4	C10	N3	127.2°	134.5°
C10	N4	H12	124.8°	125.0°
C10	N3	C9	111.9°	120.7°
N3	C9	H11	115.6°	118.6°
H3	C3	H2	109.5°	109.4°
H6	C4	H5	109.5°	110.3°
H10	C7	H9	109.5°	110.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	C5	C4	H7	180.0°	179.9°
C5	C6	C7	H8	180.0°	180.0°
C5	C6	C7	C2	10.8°	16.4°
C6	C5	C4	C2	2.9°	16.5°
C6	C5	C4	H6	116.3°	102.4°
C6	C5	C4	H5	122.2°	135.3°
C5	C6	C7	H10	108.4°	135.2°
C5	C6	C7	H9	130.0°	102.4°
C4	C5	C6	C7	8.9°	0.0°
C5	C4	C2	C7	3.7°	24.7°
C5	C4	C2	H6	119.2°	118.8°
C5	C4	C2	H5	119.2°	118.9°
C5	C4	C2	C3	122.7°	142.8°
C5	C4	C2	N1	113.5°	93.4°
C5	C4	H6	H5	122.2°	122.4°
C4	C5	C6	H8	171.1°	180.0°
C6	C7	C2	H10	119.2°	118.7°
C6	C7	C2	H9	119.2°	118.8°
C6	C7	C2	C4	8.3°	24.6°
C6	C7	C2	C3	127.0°	142.7°
C6	C7	C2	N1	108.5°	93.4°
C7	C6	C5	H7	171.1°	180.0°
C6	C7	H10	H9	122.3°	122.3°
C7	C2	C4	C3	118.9°	118.1°
C7	C2	C4	N1	117.2°	118.1°
C7	C2	C3	N1	122.8°	124.0°
C7	C2	C3	O2	172.5°	69.3°
C7	C2	N1	C1	57.2°	176.0°
C7	C2	C3	H3	67.1°	170.7°
C7	C2	C3	H2	52.1°	50.7°
C7	C2	C4	H6	123.0°	94.2°
C7	C2	C4	H5	115.5°	143.6°
C2	C7	C6	H8	169.2°	163.5°
C2	C7	H10	H9	122.3°	122.4°
C7	C2	N1	H1	122.9°	4.0°
C4	C2	C3	N1	121.6°	123.9°
C4	C2	C3	O2	71.9°	178.6°
C4	C2	N1	C1	171.6°	63.9°
C4	C2	C3	H3	48.5°	58.6°
C4	C2	C3	H2	167.7°	61.4°
C2	C4	H6	H5	122.2°	122.3°
C2	C4	C5	H7	177.1°	163.6°
C4	C2	C7	H10	110.9°	143.4°
C4	C2	C7	H9	127.5°	94.1°
C4	C2	N1	H1	8.5°	116.1°
C2	C3	O2	H3	120.4°	120.1°
C2	C3	O2	H2	120.4°	120.0°
C3	C2	N1	C1	66.1°	60.0°
C2	C3	H3	H2	118.8°	120.0°
C3	C2	C4	H6	118.1°	23.9°
C3	C2	C4	H5	3.4°	98.4°
C3	C2	C7	H10	7.8°	98.6°
C3	C2	C7	H9	113.8°	23.9°
C3	C2	N1	H1	113.9°	120.0°
C2	C3	O2	H4	180.0°	179.9°
O2	C3	C2	N1	49.7°	54.7°
O2	C3	H3	H2	118.8°	120.0°
C2	N1	C1	H1	180.0°	180.0°
C2	N1	C1	O1	0.2°	5.1°
C2	N1	C1	C8	179.1°	174.9°
N1	C2	C3	H3	170.1°	65.3°
N1	C2	C3	H2	70.7°	174.7°
N1	C2	C4	H6	5.7°	147.8°
N1	C2	C4	H5	127.3°	25.5°
N1	C2	C7	H10	132.3°	25.3°
N1	C2	C7	H9	10.7°	147.8°
N1	C1	O1	C8	178.9°	180.0°
N1	C1	C8	C13	47.8°	180.0°
N1	C1	C8	N2	133.2°	0.0°
O1	C1	C8	C13	131.1°	0.0°
O1	C1	C8	N2	47.8°	180.0°
O1	C1	N1	H1	179.9°	175.0°
C1	C8	C13	C12	0.6°	0.3°
C1	C8	C13	N2	179.0°	180.0°
C1	C8	C13	C10	179.0°	180.0°
C1	C8	N2	C9	179.1°	179.9°
C8	C1	N1	H1	1.0°	5.1°
C13	C12	C11	H14	180.0°	180.0°
C12	C13	C8	C10	179.5°	179.7°
C12	C13	C8	N2	179.5°	179.7°
C13	C12	C11	N4	0.3°	0.1°
C12	C13	C10	N4	0.0°	0.0°
C12	C13	C10	N3	179.9°	179.9°
C13	C12	C11	H13	179.7°	180.0°
C11	C12	C13	C8	179.7°	179.8°
C11	C12	C13	C10	0.2°	0.0°
C12	C11	N4	H13	180.0°	179.9°
C12	C11	N4	C10	0.3°	0.1°
C12	C11	N4	H12	179.7°	180.0°
C13	C8	N2	C9	0.1°	0.0°
C8	C13	C10	N4	179.7°	179.8°
C8	C13	C10	N3	0.2°	0.1°
C8	C13	C12	H14	0.3°	0.3°
N2	C8	C13	C10	0.0°	0.0°
C8	N2	C9	N3	0.0°	0.2°
C8	N2	C9	H11	180.0°	179.8°
C13	C10	N4	C11	0.2°	0.1°
C13	C10	N4	N3	179.9°	179.9°
C13	C10	N3	C9	0.3°	0.3°
C10	C13	C12	H14	179.8°	180.0°
C13	C10	N4	H12	179.8°	180.0°
N2	C9	N3	C10	0.2°	0.4°
N2	C9	N3	H11	180.0°	179.5°
C11	N4	C10	H12	180.0°	179.9°
C11	N4	C10	N3	179.9°	179.9°
N4	C11	C12	H14	179.7°	180.0°
N4	C10	N3	C9	179.6°	179.5°
C10	N4	C11	H13	179.7°	180.0°
C10	N3	C9	H11	179.8°	179.9°
N3	C10	N4	H12	0.1°	0.1°
H13	C11	C12	H14	0.3°	0.1°
H13	C11	N4	H12	0.3°	0.1°
H3	C3	O2	H4	59.6°	60.0°
H2	C3	O2	H4	59.6°	59.9°
H6	C4	C5	H7	63.7°	77.6°
H5	C4	C5	H7	57.8°	44.7°
H7	C5	C6	H8	8.9°	0.1°
H8	C6	C7	H10	71.6°	44.8°
H8	C6	C7	H9	50.0°	77.6°

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