A1DUI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C3	C4	sing	1.53Å	1.53Å
C3	C2	sing	1.53Å	1.55Å
C1	C2	sing	1.53Å	1.53Å
C4	C5	sing	1.53Å	1.53Å
C2	C12	sing	1.53Å	1.54Å
C2	O1	sing	1.43Å	1.41Å
C5	N1	sing	1.47Å	1.47Å
C12	N1	sing	1.47Å	1.46Å
N1	C6	sing	1.38Å	1.39Å
C6	N2	doub	1.33Å	1.36Å	Aromatic
C6	C11	sing	1.40Å	1.42Å	Aromatic
C10	C11	sing	1.46Å	1.44Å	Aromatic
C10	C9	doub	1.34Å	1.37Å	Aromatic
N2	C7	sing	1.32Å	1.34Å	Aromatic
C11	C8	doub	1.41Å	1.41Å	Aromatic
C9	N4	sing	1.37Å	1.39Å	Aromatic
C7	N3	doub	1.32Å	1.33Å	Aromatic
C8	N4	sing	1.37Å	1.37Å	Aromatic
C8	N3	sing	1.33Å	1.36Å	Aromatic
C12	H15	sing	1.09Å	1.10Å
C12	H16	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C10	H14	sing	1.08Å	1.08Å
C3	H6	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C7	H11	sing	1.08Å	1.08Å
C9	H13	sing	1.08Å	1.08Å
N4	H12	sing	0.97Å	1.00Å
O1	H4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C3	C2	111.6°	109.2°
C3	C4	C5	111.3°	109.2°
C4	C3	H6	108.9°	109.5°
C4	C3	H5	108.9°	109.5°
C3	C4	H8	109.0°	109.6°
C3	C4	H7	109.0°	109.5°
C3	C2	C1	110.8°	109.5°
C3	C2	C12	110.8°	109.3°
C3	C2	O1	110.5°	109.5°
C2	C3	H6	108.9°	109.5°
C2	C3	H5	108.9°	109.6°
C1	C2	C12	110.8°	109.5°
C1	C2	O1	106.7°	109.5°
C2	C1	H3	109.5°	109.5°
C2	C1	H2	109.5°	109.4°
C2	C1	H1	109.5°	109.5°
C4	C5	N1	112.0°	109.5°
C5	C4	H8	109.0°	109.5°
C5	C4	H7	109.0°	109.5°
C4	C5	H9	108.8°	109.5°
C4	C5	H10	108.8°	109.5°
C12	C2	O1	107.0°	109.5°
C2	C12	N1	112.2°	109.5°
C2	C12	H15	108.8°	109.4°
C2	C12	H16	108.8°	109.5°
C2	O1	H4	109.5°	114.0°
C5	N1	C12	119.3°	111.2°
C5	N1	C6	118.5°	111.0°
N1	C5	H9	108.8°	109.4°
N1	C5	H10	108.8°	109.5°
C12	N1	C6	117.0°	111.0°
N1	C12	H15	108.8°	109.5°
N1	C12	H16	108.8°	109.5°
N1	C6	N2	118.8°	120.8°
N1	C6	C11	121.8°	120.9°
N2	C6	C11	119.4°	118.3°
C6	N2	C7	118.8°	121.0°
C6	C11	C10	137.5°	135.1°
C6	C11	C8	114.9°	118.7°
C11	C10	C9	106.8°	106.8°
C10	C11	C8	107.6°	106.2°
C11	C10	H14	126.6°	126.6°
C10	C9	N4	108.7°	109.8°
C9	C10	H14	126.6°	126.7°
C10	C9	H13	125.7°	125.1°
N2	C7	N3	128.5°	122.7°
N2	C7	H11	115.8°	118.7°
C11	C8	N4	106.5°	107.1°
C11	C8	N3	126.5°	118.5°
C9	N4	C8	110.4°	110.1°
N4	C9	H13	125.7°	125.1°
C9	N4	H12	124.8°	124.9°
C7	N3	C8	112.0°	120.7°
N3	C7	H11	115.8°	118.6°
N4	C8	N3	127.0°	134.3°
C8	N4	H12	124.8°	125.0°
H15	C12	H16	109.4°	109.4°
H3	C1	H2	109.5°	109.5°
H3	C1	H1	109.5°	109.5°
H2	C1	H1	109.4°	109.5°
H6	C3	H5	109.5°	109.6°
H8	C4	H7	109.4°	109.5°
H9	C5	H10	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C3	C2	H6	120.3°	119.8°
C4	C3	C2	H5	120.3°	120.0°
C4	C3	C2	C1	177.7°	62.2°
C3	C4	C5	H8	120.3°	120.0°
C3	C4	C5	H7	120.3°	120.0°
C4	C3	C2	C12	54.3°	57.7°
C4	C3	C2	O1	64.2°	177.7°
C3	C4	C5	N1	49.5°	59.2°
C4	C3	H6	H5	119.0°	120.2°
C3	C4	H8	H7	119.2°	120.1°
C3	C4	C5	H9	70.8°	179.2°
C3	C4	C5	H10	169.9°	60.9°
C3	C2	C1	C12	123.4°	119.8°
C3	C2	C1	O1	120.4°	120.1°
C2	C3	C4	C5	55.0°	57.7°
C3	C2	C12	O1	120.6°	120.0°
C3	C2	C12	N1	48.5°	59.2°
C3	C2	C12	H15	168.9°	60.8°
C3	C2	C12	H16	72.0°	179.2°
C3	C2	C1	H3	180.0°	179.8°
C3	C2	C1	H2	60.0°	60.2°
C3	C2	C1	H1	60.0°	59.8°
C2	C3	H6	H5	119.0°	120.2°
C2	C3	C4	H8	175.3°	62.2°
C2	C3	C4	H7	65.3°	177.6°
C3	C2	O1	H4	180.0°	60.0°
C1	C2	C12	O1	116.0°	120.0°
C1	C2	C12	N1	171.9°	60.8°
C1	C2	C12	H15	67.7°	179.2°
C1	C2	C12	H16	51.5°	59.2°
C2	C1	H3	H2	120.0°	120.0°
C2	C1	H3	H1	120.0°	120.0°
C2	C1	H2	H1	120.0°	120.0°
C1	C2	C3	H6	62.0°	57.6°
C1	C2	C3	H5	57.3°	177.8°
C1	C2	O1	H4	59.4°	60.1°
C4	C5	N1	H9	120.4°	120.0°
C4	C5	N1	H10	120.4°	120.1°
C4	C5	N1	C12	47.3°	61.7°
C4	C5	N1	C6	106.5°	174.2°
C5	C4	C3	H6	175.3°	177.5°
C5	C4	C3	H5	65.3°	62.3°
C5	C4	H8	H7	119.2°	120.1°
C4	C5	H9	H10	118.8°	120.0°
C2	C12	N1	C5	46.9°	61.7°
C2	C12	N1	H15	120.4°	120.0°
C2	C12	N1	H16	120.4°	120.1°
C2	C12	N1	C6	107.3°	174.2°
C2	C12	H15	H16	118.7°	120.0°
C12	C2	C1	H3	56.6°	60.0°
C12	C2	C1	H2	176.6°	180.0°
C12	C2	C1	H1	63.5°	60.1°
C12	C2	C3	H6	174.6°	177.5°
C12	C2	C3	H5	66.1°	62.3°
C12	C2	O1	H4	59.2°	179.9°
O1	C2	C12	N1	72.1°	179.2°
O1	C2	C12	H15	48.3°	59.2°
O1	C2	C12	H16	167.4°	60.8°
O1	C2	C1	H3	59.6°	60.0°
O1	C2	C1	H2	60.4°	59.9°
O1	C2	C1	H1	179.6°	179.9°
O1	C2	C3	H6	56.1°	62.5°
O1	C2	C3	H5	175.4°	57.7°
C5	N1	C12	C6	154.1°	124.1°
C5	N1	C6	N2	143.3°	124.2°
C5	N1	C6	C11	37.5°	55.8°
C5	N1	C12	H15	167.3°	58.3°
C5	N1	C12	H16	73.5°	178.2°
N1	C5	C4	H8	169.8°	60.8°
N1	C5	C4	H7	70.8°	179.1°
N1	C5	H9	H10	118.8°	119.9°
C12	N1	C6	N2	11.1°	0.0°
C12	N1	C6	C11	168.1°	179.9°
N1	C12	H15	H16	118.7°	120.0°
C12	N1	C5	H9	73.1°	178.2°
C12	N1	C5	H10	167.7°	58.3°
N1	C6	N2	C11	179.2°	179.9°
N1	C6	C11	C10	0.9°	0.2°
N1	C6	N2	C7	179.3°	179.9°
N1	C6	C11	C8	179.9°	180.0°
C6	N1	C12	H15	13.2°	65.8°
C6	N1	C12	H16	132.3°	54.2°
C6	N1	C5	H9	133.1°	54.1°
C6	N1	C5	H10	13.9°	65.8°
N2	C6	C11	C10	178.2°	179.7°
N2	C6	C11	C8	0.8°	0.0°
C6	N2	C7	N3	1.8°	0.3°
C6	N2	C7	H11	178.2°	179.8°
C6	C11	C10	C8	179.0°	179.8°
C6	C11	C10	C9	179.3°	179.7°
C11	C6	N2	C7	1.5°	0.0°
C6	C11	C8	N4	179.5°	179.8°
C6	C11	C8	N3	0.1°	0.2°
C6	C11	C10	H14	0.7°	0.1°
C11	C10	C9	H14	180.0°	179.9°
C11	C10	C9	N4	0.2°	0.1°
C10	C11	C8	N4	0.2°	0.0°
C10	C11	C8	N3	179.2°	180.0°
C11	C10	C9	H13	179.8°	180.0°
C9	C10	C11	C8	0.2°	0.1°
C10	C9	N4	H13	180.0°	179.9°
C10	C9	N4	C8	0.1°	0.0°
C10	C9	N4	H12	179.9°	180.0°
N2	C7	N3	H11	180.0°	179.5°
N2	C7	N3	C8	1.0°	0.5°
C11	C8	N4	C9	0.1°	0.0°
C11	C8	N3	C7	0.1°	0.4°
C11	C8	N4	N3	179.4°	180.0°
C8	C11	C10	H14	179.8°	179.9°
C11	C8	N4	H12	179.9°	179.9°
C9	N4	C8	H12	180.0°	179.9°
C9	N4	C8	N3	179.3°	180.0°
N4	C9	C10	H14	179.8°	179.9°
C7	N3	C8	N4	179.4°	179.5°
C8	N4	C9	H13	179.9°	180.0°
C8	N3	C7	H11	179.0°	180.0°
N3	C8	N4	H12	0.7°	0.1°
H3	C1	H2	H1	120.0°	120.1°
H14	C10	C9	H13	0.2°	0.1°
H6	C3	C4	H8	64.4°	57.6°
H6	C3	C4	H7	55.0°	62.5°
H5	C3	C4	H8	55.0°	177.8°
H5	C3	C4	H7	174.4°	57.7°
H8	C4	C5	H9	49.5°	59.2°
H8	C4	C5	H10	69.8°	179.2°
H7	C4	C5	H9	168.9°	60.8°
H7	C4	C5	H10	49.6°	59.1°
H13	C9	N4	H12	0.1°	0.1°

Release date:	2026-11-04
Definition date:	2026-08-20
Last modified:	2026-10-30
Release status:	REL
Processing site:	RCSB
Derived from:	15OI