A1DOO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	sing	1.47Å	1.46Å
N1	C2	sing	1.47Å	1.47Å
C2	C3	sing	1.53Å	1.51Å
C3	C4	sing	1.53Å	1.52Å
C4	C5	sing	1.53Å	1.53Å
C5	C6	sing	1.53Å	1.52Å
C6	O1	sing	1.43Å	1.44Å
O1	C7	sing	1.36Å	1.38Å
C7	C8	doub	1.39Å	1.39Å	Aromatic
C8	N2	sing	1.32Å	1.34Å	Aromatic
N2	C9	doub	1.32Å	1.34Å	Aromatic
C9	C10	sing	1.38Å	1.38Å	Aromatic
C10	C11	doub	1.40Å	1.40Å	Aromatic
C11	C12	sing	1.43Å	1.44Å
C12	N3	trip	1.14Å	1.14Å
C5	C13	sing	1.53Å	1.53Å
N1	C13	sing	1.47Å	1.47Å
C7	C11	sing	1.40Å	1.41Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C4	H9	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C6	H12	sing	1.09Å	1.10Å
C8	H13	sing	1.08Å	1.08Å
C9	H14	sing	1.08Å	1.08Å
C10	H15	sing	1.08Å	1.08Å
C13	H16	sing	1.09Å	1.10Å
C13	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	C2	109.4°	111.0°
C1	N1	C13	110.3°	111.0°
N1	C1	H1	109.5°	109.4°
N1	C1	H2	109.5°	109.5°
N1	C1	H3	109.5°	109.5°
N1	C2	C3	112.4°	109.5°
C2	N1	C13	110.7°	111.2°
N1	C2	H4	108.8°	109.4°
N1	C2	H5	108.7°	109.5°
C2	C3	C4	112.0°	109.2°
C3	C2	H4	108.7°	109.4°
C3	C2	H5	108.8°	109.4°
C2	C3	H6	108.8°	109.5°
C2	C3	H7	108.8°	109.5°
C3	C4	C5	112.6°	109.2°
C4	C3	H6	108.8°	109.5°
C4	C3	H7	108.8°	109.5°
C3	C4	H8	108.7°	109.5°
C3	C4	H9	108.7°	109.5°
C4	C5	C6	110.2°	109.5°
C4	C5	C13	109.9°	109.3°
C5	C4	H8	108.7°	109.5°
C5	C4	H9	108.7°	109.6°
C4	C5	H10	108.0°	109.6°
C5	C6	O1	111.0°	109.5°
C6	C5	C13	112.5°	109.5°
C6	C5	H10	108.1°	109.5°
C5	C6	H11	109.1°	109.5°
C5	C6	H12	109.1°	109.5°
C6	O1	C7	117.2°	117.0°
O1	C6	H11	109.1°	109.5°
O1	C6	H12	109.1°	109.5°
O1	C7	C8	123.6°	120.6°
O1	C7	C11	118.1°	120.6°
C7	C8	N2	122.7°	120.8°
C8	C7	C11	118.2°	118.8°
C7	C8	H13	118.7°	119.5°
C8	N2	C9	118.7°	122.2°
N2	C8	H13	118.7°	119.6°
N2	C9	C10	123.3°	121.1°
N2	C9	H14	118.3°	119.5°
C9	C10	C11	118.2°	119.0°
C10	C9	H14	118.4°	119.4°
C9	C10	H15	120.9°	120.5°
C10	C11	C12	120.5°	120.9°
C10	C11	C7	118.9°	118.1°
C11	C10	H15	120.9°	120.5°
C11	C12	N3	177.3°	180.0°
C12	C11	C7	120.5°	121.0°
C5	C13	N1	113.0°	109.5°
C13	C5	H10	108.0°	109.5°
C5	C13	H16	108.6°	109.5°
C5	C13	H17	108.5°	109.5°
N1	C13	H16	108.6°	109.4°
N1	C13	H17	108.6°	109.5°
H1	C1	H2	109.4°	109.5°
H1	C1	H3	109.4°	109.5°
H2	C1	H3	109.5°	109.5°
H4	C2	H5	109.5°	109.5°
H6	C3	H7	109.4°	109.5°
H8	C4	H9	109.5°	109.6°
H11	C6	H12	109.5°	109.5°
H16	C13	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	C2	C13	121.8°	124.1°
C1	N1	C2	C3	174.4°	62.4°
C1	N1	C13	C5	176.7°	62.4°
N1	C1	H1	H2	120.0°	120.0°
N1	C1	H1	H3	120.0°	120.0°
N1	C1	H2	H3	120.0°	120.0°
C1	N1	C2	H4	54.0°	57.6°
C1	N1	C2	H5	65.1°	177.6°
C1	N1	C13	H16	62.8°	177.6°
C1	N1	C13	H17	56.2°	57.7°
N1	C2	C3	H4	120.4°	120.0°
N1	C2	C3	H5	120.4°	120.1°
N1	C2	C3	C4	4.2°	59.2°
C2	N1	C13	C5	62.0°	61.7°
C2	N1	C1	H1	180.0°	64.0°
C2	N1	C1	H2	60.0°	176.1°
C2	N1	C1	H3	60.0°	56.0°
N1	C2	H4	H5	118.7°	120.0°
N1	C2	C3	H6	116.2°	60.8°
N1	C2	C3	H7	124.6°	179.1°
C2	N1	C13	H16	58.5°	58.2°
C2	N1	C13	H17	177.5°	178.2°
C2	C3	C4	H6	120.4°	119.9°
C2	C3	C4	H7	120.4°	119.9°
C2	C3	C4	C5	53.7°	57.7°
C3	C2	N1	C13	52.7°	61.8°
C3	C2	H4	H5	118.7°	119.9°
C2	C3	H6	H7	118.8°	120.1°
C2	C3	C4	H8	174.2°	177.6°
C2	C3	C4	H9	66.8°	62.3°
C3	C4	C5	H8	120.5°	119.8°
C3	C4	C5	H9	120.5°	119.9°
C3	C4	C5	C6	169.0°	177.6°
C3	C4	C5	C13	44.5°	57.7°
C4	C3	C2	H4	124.6°	179.2°
C4	C3	C2	H5	116.2°	60.9°
C4	C3	H6	H7	118.8°	120.2°
C3	C4	H8	H9	118.5°	120.1°
C3	C4	C5	H10	73.1°	62.3°
C4	C5	C6	C13	123.0°	119.8°
C4	C5	C6	H10	117.8°	120.1°
C4	C5	C6	O1	150.1°	175.0°
C4	C5	C13	H10	117.6°	120.0°
C4	C5	C13	N1	11.7°	59.2°
C5	C4	C3	H6	66.7°	62.3°
C5	C4	C3	H7	174.1°	177.6°
C5	C4	H8	H9	118.6°	120.2°
C4	C5	C6	H11	29.9°	55.0°
C4	C5	C6	H12	89.6°	65.0°
C4	C5	C13	H16	108.8°	60.8°
C4	C5	C13	H17	132.3°	179.2°
C5	C6	O1	H11	120.2°	120.0°
C5	C6	O1	H12	120.2°	120.0°
C5	C6	O1	C7	175.8°	180.0°
C6	C5	C13	H10	119.2°	120.1°
C6	C5	C13	N1	111.5°	179.1°
C6	C5	C4	H8	70.5°	62.5°
C6	C5	C4	H9	48.5°	57.7°
C5	C6	H11	H12	119.3°	120.0°
C6	C5	C13	H16	128.0°	59.1°
C6	C5	C13	H17	9.1°	60.9°
C6	O1	C7	C8	33.9°	0.0°
O1	C6	C5	C13	86.8°	65.2°
C6	O1	C7	C11	143.2°	179.7°
O1	C6	C5	H10	32.3°	54.9°
O1	C6	H11	H12	119.3°	120.0°
O1	C7	C8	C11	177.1°	179.7°
O1	C7	C8	N2	178.8°	180.0°
O1	C7	C11	C10	178.4°	179.7°
O1	C7	C11	C12	1.5°	0.0°
C7	O1	C6	H11	55.5°	60.0°
C7	O1	C6	H12	64.0°	60.0°
O1	C7	C8	H13	1.2°	0.0°
C7	C8	N2	H13	180.0°	180.0°
C7	C8	N2	C9	0.7°	0.0°
C8	C7	C11	C10	1.1°	0.5°
C8	C7	C11	C12	178.8°	179.8°
C8	N2	C9	C10	0.7°	0.0°
N2	C8	C7	C11	1.7°	0.2°
C8	N2	C9	H14	179.3°	180.0°
N2	C9	C10	H14	180.0°	179.9°
N2	C9	C10	C11	1.2°	0.3°
C9	N2	C8	H13	179.3°	180.0°
N2	C9	C10	H15	178.8°	180.0°
C9	C10	C11	H15	180.0°	179.7°
C9	C10	C11	C12	179.8°	179.7°
C9	C10	C11	C7	0.2°	0.6°
C10	C11	C12	C7	179.9°	179.7°
C10	C11	C12	N3	22.5°	164.2°
C11	C10	C9	H14	178.8°	179.7°
C12	C11	C10	H15	0.2°	0.0°
N3	C12	C11	C7	157.4°	16.1°
C5	C13	N1	H16	120.5°	120.0°
C5	C13	N1	H17	120.5°	120.0°
C13	C5	C4	H8	165.0°	177.5°
C13	C5	C4	H9	76.0°	62.3°
C13	C5	C6	H11	152.9°	174.8°
C13	C5	C6	H12	33.4°	54.8°
C5	C13	H16	H17	118.3°	120.0°
C13	N1	C1	H1	58.0°	60.3°
C13	N1	C1	H2	178.0°	59.7°
C13	N1	C1	H3	62.0°	179.7°
C13	N1	C2	H4	67.8°	178.3°
C13	N1	C2	H5	173.1°	58.3°
N1	C13	C5	H10	129.3°	60.8°
N1	C13	H16	H17	118.4°	120.0°
C11	C7	C8	H13	178.4°	179.7°
C7	C11	C10	H15	179.8°	179.7°
H1	C1	H2	H3	119.9°	120.1°
H4	C2	C3	H6	4.2°	59.2°
H4	C2	C3	H7	115.0°	60.9°
H5	C2	C3	H6	123.4°	179.2°
H5	C2	C3	H7	4.2°	59.1°
H6	C3	C4	H8	53.8°	57.6°
H6	C3	C4	H9	172.8°	177.8°
H7	C3	C4	H8	65.4°	62.5°
H7	C3	C4	H9	53.6°	57.6°
H8	C4	C5	H10	47.4°	57.5°
H9	C4	C5	H10	166.4°	177.8°
H10	C5	C6	H11	87.9°	65.1°
H10	C5	C6	H12	152.5°	174.9°
H10	C5	C13	H16	8.8°	179.2°
H10	C5	C13	H17	110.1°	59.2°
H14	C9	C10	H15	1.2°	0.0°

Release date:	2026-08-05
Definition date:	2026-07-23
Last modified:	2026-07-31
Release status:	REL
Processing site:	RCSB
Derived from:	14VL