A1D09

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C1	sing	1.53Å	1.54Å
C2	C3	sing	1.53Å	1.55Å
C1	O1	sing	1.43Å	1.41Å
C14	C3	sing	1.54Å	1.54Å
C14	C13	sing	1.55Å	1.53Å
C3	C11	sing	1.54Å	1.54Å
C3	C4	sing	1.53Å	1.56Å
C13	C12	sing	1.55Å	1.53Å
C11	C12	sing	1.54Å	1.53Å
C4	N1	sing	1.46Å	1.46Å
N1	C5	sing	1.38Å	1.40Å
C5	N2	doub	1.33Å	1.36Å	Aromatic
C5	C10	sing	1.40Å	1.42Å	Aromatic
C9	C10	sing	1.46Å	1.44Å	Aromatic
C9	C8	doub	1.34Å	1.38Å	Aromatic
N2	C6	sing	1.32Å	1.34Å	Aromatic
C10	C7	doub	1.41Å	1.42Å	Aromatic
C8	N4	sing	1.37Å	1.39Å	Aromatic
C6	N3	doub	1.32Å	1.34Å	Aromatic
C7	N4	sing	1.37Å	1.38Å	Aromatic
C7	N3	sing	1.33Å	1.36Å	Aromatic
C13	H18	sing	1.09Å	1.10Å
C13	H17	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C12	H16	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C14	H19	sing	1.09Å	1.10Å
C14	H20	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C6	H9	sing	1.08Å	1.08Å
C8	H11	sing	1.08Å	1.08Å
C9	H12	sing	1.08Å	1.08Å
N1	H8	sing	0.97Å	1.00Å
N4	H10	sing	0.97Å	1.00Å
O1	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	116.9°	109.5°
C2	C1	O1	109.1°	109.5°
C2	C1	H3	109.6°	109.4°
C2	C1	H2	109.5°	109.4°
C1	C2	H5	107.6°	109.5°
C1	C2	H4	107.6°	109.5°
C2	C3	C14	109.9°	110.0°
C2	C3	C11	111.7°	110.1°
C2	C3	C4	113.8°	110.0°
C3	C2	H5	107.6°	109.4°
C3	C2	H4	107.6°	109.5°
O1	C1	H3	109.6°	109.5°
O1	C1	H2	109.6°	109.5°
C1	O1	H1	109.5°	114.0°
C3	C14	C13	106.8°	104.2°
C14	C3	C11	101.1°	106.6°
C14	C3	C4	108.8°	110.0°
C3	C14	H19	110.1°	110.5°
C3	C14	H20	110.1°	110.5°
C14	C13	C12	106.4°	102.8°
C14	C13	H18	110.2°	110.8°
C14	C13	H17	110.2°	110.9°
C13	C14	H19	110.1°	110.5°
C13	C14	H20	110.1°	110.5°
C11	C3	C4	110.7°	110.1°
C3	C11	C12	105.6°	106.6°
C3	C11	H14	110.4°	110.0°
C3	C11	H13	110.4°	110.1°
C3	C4	N1	114.0°	109.5°
C3	C4	H7	108.3°	109.5°
C3	C4	H6	108.3°	109.4°
C13	C12	C11	105.5°	104.2°
C12	C13	H18	110.2°	110.7°
C12	C13	H17	110.3°	110.7°
C13	C12	H16	110.4°	110.5°
C13	C12	H15	110.5°	110.5°
C12	C11	H14	110.5°	110.0°
C12	C11	H13	110.4°	110.0°
C11	C12	H16	110.5°	110.5°
C11	C12	H15	110.4°	110.5°
C4	N1	C5	123.5°	120.0°
N1	C4	H7	108.3°	109.5°
N1	C4	H6	108.3°	109.4°
C4	N1	H8	105.9°	120.0°
N1	C5	N2	120.4°	120.8°
N1	C5	C10	121.0°	120.8°
C5	N1	H8	105.9°	120.0°
N2	C5	C10	118.6°	118.4°
C5	N2	C6	119.2°	121.0°
C5	C10	C9	137.0°	135.2°
C5	C10	C7	115.7°	118.6°
C10	C9	C8	107.2°	106.8°
C9	C10	C7	107.2°	106.2°
C10	C9	H12	126.4°	126.6°
C9	C8	N4	108.6°	109.8°
C9	C8	H11	125.7°	125.1°
C8	C9	H12	126.4°	126.6°
N2	C6	N3	128.6°	122.7°
N2	C6	H9	115.7°	118.7°
C10	C7	N4	106.8°	107.1°
C10	C7	N3	125.9°	118.5°
C8	N4	C7	110.2°	110.0°
N4	C8	H11	125.7°	125.0°
C8	N4	H10	124.9°	125.0°
C6	N3	C7	111.9°	120.7°
N3	C6	H9	115.7°	118.6°
N4	C7	N3	127.3°	134.3°
C7	N4	H10	124.9°	124.9°
H18	C13	H17	109.5°	110.7°
H14	C11	H13	109.5°	110.0°
H16	C12	H15	109.5°	110.5°
H3	C1	H2	109.5°	109.5°
H19	C14	H20	109.4°	110.6°
H5	C2	H4	109.5°	109.4°
H7	C4	H6	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	H5	121.1°	120.0°
C1	C2	C3	H4	121.1°	120.0°
C2	C1	O1	H3	120.0°	120.0°
C2	C1	O1	H2	119.9°	120.0°
C1	C2	C3	C14	163.8°	178.9°
C1	C2	C3	C11	52.4°	61.7°
C1	C2	C3	C4	73.9°	59.7°
C2	C1	H3	H2	120.1°	120.0°
C1	C2	H5	H4	116.6°	120.0°
C2	C1	O1	H1	180.0°	180.0°
C3	C2	C1	O1	92.9°	179.6°
C2	C3	C14	C11	118.2°	119.3°
C2	C3	C14	C4	125.2°	121.3°
C2	C3	C14	C13	151.8°	95.7°
C2	C3	C11	C4	127.9°	121.4°
C2	C3	C11	C12	155.0°	119.3°
C2	C3	C4	N1	75.3°	57.0°
C2	C3	C11	H14	85.6°	0.0°
C2	C3	C11	H13	35.7°	121.4°
C3	C2	C1	H3	147.2°	59.7°
C3	C2	C1	H2	27.1°	60.4°
C2	C3	C14	H19	32.2°	145.6°
C2	C3	C14	H20	88.6°	23.0°
C3	C2	H5	H4	116.6°	120.0°
C2	C3	C4	H7	164.0°	63.1°
C2	C3	C4	H6	45.3°	176.9°
O1	C1	H3	H2	120.2°	120.1°
O1	C1	C2	H5	146.0°	59.6°
O1	C1	C2	H4	28.2°	60.3°
C3	C14	C13	H19	119.6°	118.6°
C3	C14	C13	H20	119.6°	118.7°
C14	C3	C11	C4	115.2°	119.3°
C3	C14	C13	C12	16.9°	37.9°
C14	C3	C11	C12	38.2°	0.0°
C14	C3	C4	N1	161.8°	64.4°
C3	C14	C13	H18	136.4°	156.2°
C3	C14	C13	H17	102.6°	80.4°
C14	C3	C11	H14	157.6°	119.2°
C14	C3	C11	H13	81.2°	119.3°
C3	C14	H19	H20	121.2°	122.6°
C14	C3	C2	H5	42.8°	58.9°
C14	C3	C2	H4	75.1°	61.0°
C14	C3	C4	H7	41.2°	175.6°
C14	C3	C4	H6	77.5°	55.6°
C13	C14	C3	C11	33.6°	23.6°
C13	C14	C3	C4	83.0°	143.0°
C14	C13	C12	H18	119.5°	118.3°
C14	C13	C12	H17	119.5°	118.5°
C14	C13	C12	C11	7.2°	37.9°
C14	C13	H18	H17	121.4°	123.5°
C14	C13	C12	H16	126.6°	156.6°
C14	C13	C12	H15	112.1°	80.7°
C13	C14	H19	H20	121.2°	122.6°
C3	C11	C12	C13	28.7°	23.6°
C3	C11	C12	H14	119.4°	119.3°
C3	C11	C12	H13	119.4°	119.4°
C11	C3	C4	N1	51.5°	178.4°
C3	C11	H14	H13	121.8°	121.5°
C3	C11	C12	H16	148.0°	142.3°
C3	C11	C12	H15	90.7°	95.1°
C11	C3	C14	H19	86.0°	95.1°
C11	C3	C14	H20	153.3°	142.3°
C11	C3	C2	H5	68.7°	58.3°
C11	C3	C2	H4	173.5°	178.2°
C11	C3	C4	H7	69.2°	58.4°
C11	C3	C4	H6	172.1°	61.7°
C4	C3	C11	C12	77.1°	119.3°
C3	C4	N1	H7	120.7°	120.0°
C3	C4	N1	H6	120.7°	119.9°
C3	C4	N1	C5	137.9°	174.4°
C4	C3	C11	H14	42.3°	121.4°
C4	C3	C11	H13	163.6°	0.0°
C4	C3	C14	H19	157.4°	24.3°
C4	C3	C14	H20	36.6°	98.4°
C4	C3	C2	H5	165.1°	179.7°
C4	C3	C2	H4	47.2°	60.3°
C3	C4	H7	H6	118.0°	120.0°
C3	C4	N1	H8	100.1°	5.5°
C13	C12	C11	H16	119.3°	118.7°
C13	C12	C11	H15	119.4°	118.7°
C12	C13	H18	H17	121.5°	123.2°
C13	C12	C11	H14	148.0°	95.7°
C13	C12	C11	H13	90.7°	143.0°
C13	C12	H16	H15	121.9°	122.6°
C12	C13	C14	H19	102.7°	80.7°
C12	C13	C14	H20	136.5°	156.6°
C11	C12	C13	H18	112.3°	156.2°
C11	C12	C13	H17	126.7°	80.6°
C12	C11	H14	H13	121.8°	121.4°
C11	C12	H16	H15	121.8°	122.6°
C4	N1	C5	H8	121.9°	180.0°
C4	N1	C5	N2	12.3°	0.0°
C4	N1	C5	C10	167.2°	180.0°
N1	C4	H7	H6	117.9°	120.0°
N1	C5	N2	C10	179.5°	180.0°
N1	C5	C10	C9	0.0°	0.3°
N1	C5	N2	C6	180.0°	180.0°
N1	C5	C10	C7	179.8°	180.0°
C5	N1	C4	H7	17.3°	54.4°
C5	N1	C4	H6	101.4°	65.6°
N2	C5	C10	C9	179.5°	179.7°
N2	C5	C10	C7	0.3°	0.0°
C5	N2	C6	N3	0.5°	0.0°
C5	N2	C6	H9	179.5°	180.0°
N2	C5	N1	H8	134.2°	180.0°
C5	C10	C9	C7	179.8°	179.7°
C5	C10	C9	C8	179.8°	179.7°
C10	C5	N2	C6	0.5°	0.0°
C5	C10	C7	N4	179.9°	179.9°
C5	C10	C7	N3	0.1°	0.1°
C5	C10	C9	H12	0.2°	0.4°
C10	C5	N1	H8	45.3°	0.0°
C10	C9	C8	H12	180.0°	180.0°
C10	C9	C8	N4	0.5°	0.2°
C9	C10	C7	N4	0.0°	0.2°
C9	C10	C7	N3	179.7°	179.8°
C10	C9	C8	H11	179.5°	179.8°
C8	C9	C10	C7	0.3°	0.0°
C9	C8	N4	H11	180.0°	179.6°
C9	C8	N4	C7	0.5°	0.3°
C9	C8	N4	H10	179.5°	179.9°
N2	C6	N3	H9	180.0°	180.0°
N2	C6	N3	C7	0.3°	0.0°
C10	C7	N4	C8	0.3°	0.3°
C10	C7	N3	C6	0.1°	0.0°
C10	C7	N4	N3	179.7°	180.0°
C7	C10	C9	H12	179.7°	180.0°
C10	C7	N4	H10	179.7°	179.9°
C8	N4	C7	H10	180.0°	179.7°
C8	N4	C7	N3	179.9°	179.6°
N4	C8	C9	H12	179.5°	179.8°
C6	N3	C7	N4	179.8°	179.9°
C7	N4	C8	H11	179.5°	180.0°
C7	N3	C6	H9	179.7°	180.0°
N3	C7	N4	H10	0.0°	0.1°
H18	C13	C12	H16	7.1°	85.1°
H18	C13	C12	H15	128.4°	37.6°
H18	C13	C14	H19	16.8°	37.6°
H18	C13	C14	H20	104.0°	85.1°
H17	C13	C12	H16	113.9°	38.1°
H17	C13	C12	H15	7.4°	160.8°
H17	C13	C14	H19	137.8°	160.9°
H17	C13	C14	H20	17.0°	38.2°
H14	C11	C12	H16	92.6°	23.0°
H14	C11	C12	H15	28.7°	145.7°
H13	C11	C12	H16	28.6°	98.3°
H13	C11	C12	H15	149.9°	24.3°
H3	C1	C2	H5	26.1°	60.3°
H3	C1	C2	H4	91.7°	179.7°
H3	C1	O1	H1	60.0°	60.0°
H2	C1	C2	H5	94.0°	179.6°
H2	C1	C2	H4	148.2°	59.7°
H2	C1	O1	H1	60.1°	60.0°
H7	C4	N1	H8	139.2°	125.6°
H6	C4	N1	H8	20.5°	114.4°
H11	C8	C9	H12	0.5°	0.2°
H11	C8	N4	H10	0.5°	0.3°

Release date:	2026-11-04
Definition date:	2026-09-01
Last modified:	2026-10-30
Release status:	REL
Processing site:	RCSB
Derived from:	15ID