A1DO8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.53Å
C2	C3	sing	1.53Å	1.55Å
C3	C4	sing	1.53Å	1.53Å
C3	C5	sing	1.53Å	1.53Å
C3	N1	sing	1.47Å	1.49Å
N1	C6	sing	1.35Å	1.34Å
C6	O1	doub	1.22Å	1.23Å
C6	C7	sing	1.47Å	1.47Å
C7	C8	doub	1.38Å	1.38Å	Aromatic
C8	C9	sing	1.40Å	1.39Å	Aromatic
C9	C10	sing	1.51Å	1.49Å
C9	N2	doub	1.31Å	1.33Å	Aromatic
N2	N3	sing	1.28Å	1.36Å	Aromatic
N3	C11	sing	1.47Å	1.45Å
C7	N3	sing	1.37Å	1.36Å	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
C4	H6	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C5	H11	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
N1	H12	sing	0.97Å	1.00Å
C8	H13	sing	1.08Å	1.08Å
C10	H14	sing	1.09Å	1.10Å
C10	H15	sing	1.09Å	1.10Å
C10	H16	sing	1.09Å	1.10Å
C11	H17	sing	1.09Å	1.10Å
C11	H18	sing	1.09Å	1.10Å
C11	H19	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	116.5°	109.5°
C2	C1	H1	109.5°	109.5°
C2	C1	H2	109.4°	109.4°
C2	C1	H3	109.4°	109.4°
C1	C2	H4	107.7°	109.5°
C1	C2	H5	107.7°	109.5°
C2	C3	C4	111.2°	109.5°
C2	C3	C5	109.9°	109.5°
C2	C3	N1	107.7°	109.4°
C3	C2	H4	107.7°	109.5°
C3	C2	H5	107.7°	109.5°
C4	C3	C5	110.0°	109.5°
C4	C3	N1	108.4°	109.5°
C3	C4	H6	109.5°	109.4°
C3	C4	H7	109.5°	109.5°
C3	C4	H8	109.5°	109.5°
C5	C3	N1	109.5°	109.5°
C3	C5	H10	109.5°	109.5°
C3	C5	H11	109.5°	109.5°
C3	C5	H9	109.5°	109.5°
C3	N1	C6	126.1°	120.0°
C3	N1	H12	116.9°	120.0°
N1	C6	O1	121.1°	120.0°
N1	C6	C7	117.1°	120.0°
C6	N1	H12	117.0°	120.0°
O1	C6	C7	121.8°	120.0°
C6	C7	C8	130.5°	126.9°
C6	C7	N3	123.2°	126.9°
C7	C8	C9	106.1°	105.3°
C8	C7	N3	106.2°	106.2°
C7	C8	H13	127.0°	127.3°
C8	C9	C10	128.6°	126.1°
C8	C9	N2	110.4°	107.9°
C9	C8	H13	126.9°	127.4°
C10	C9	N2	120.9°	126.0°
C9	C10	H14	109.5°	109.5°
C9	C10	H15	109.5°	109.5°
C9	C10	H16	109.5°	109.5°
C9	N2	N3	106.1°	110.9°
N2	N3	C11	119.5°	125.2°
N2	N3	C7	111.1°	109.6°
C11	N3	C7	129.3°	125.2°
N3	C11	H17	109.5°	109.5°
N3	C11	H18	109.5°	109.4°
N3	C11	H19	109.5°	109.5°
H1	C1	H2	109.5°	109.5°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.5°	109.5°
H4	C2	H5	109.5°	109.5°
H6	C4	H7	109.5°	109.4°
H6	C4	H8	109.5°	109.5°
H7	C4	H8	109.5°	109.5°
H10	C5	H11	109.5°	109.5°
H10	C5	H9	109.5°	109.4°
H11	C5	H9	109.5°	109.4°
H14	C10	H15	109.4°	109.5°
H14	C10	H16	109.5°	109.5°
H15	C10	H16	109.5°	109.4°
H17	C11	H18	109.5°	109.4°
H17	C11	H19	109.5°	109.5°
H18	C11	H19	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	H4	121.0°	120.0°
C1	C2	C3	H5	121.0°	120.0°
C1	C2	C3	C4	165.6°	60.0°
C1	C2	C3	C5	72.3°	60.0°
C1	C2	C3	N1	46.9°	180.0°
C2	C1	H1	H2	120.0°	120.0°
C2	C1	H1	H3	120.0°	120.0°
C2	C1	H2	H3	120.0°	119.9°
C1	C2	H4	H5	116.8°	120.0°
C2	C3	C4	C5	122.0°	120.0°
C2	C3	C4	N1	118.2°	119.9°
C2	C3	C5	N1	118.1°	120.0°
C2	C3	N1	C6	49.4°	180.0°
C3	C2	C1	H1	180.0°	60.0°
C3	C2	C1	H2	60.0°	60.0°
C3	C2	C1	H3	60.0°	180.0°
C3	C2	H4	H5	116.8°	120.0°
C2	C3	C4	H6	180.0°	60.0°
C2	C3	C4	H7	60.0°	180.0°
C2	C3	C4	H8	60.0°	60.0°
C2	C3	C5	H10	180.0°	60.0°
C2	C3	C5	H11	60.0°	180.0°
C2	C3	C5	H9	60.0°	60.0°
C2	C3	N1	H12	130.6°	0.0°
C4	C3	C5	N1	119.1°	120.0°
C4	C3	N1	C6	71.0°	60.1°
C4	C3	C2	H4	44.6°	180.0°
C4	C3	C2	H5	73.4°	60.0°
C3	C4	H6	H7	120.0°	120.0°
C3	C4	H6	H8	120.0°	120.0°
C3	C4	H7	H8	120.0°	120.0°
C4	C3	C5	H10	57.3°	180.0°
C4	C3	C5	H11	62.7°	60.0°
C4	C3	C5	H9	177.2°	60.0°
C4	C3	N1	H12	109.0°	120.0°
C5	C3	N1	C6	168.9°	60.0°
C5	C3	C2	H4	166.7°	60.0°
C5	C3	C2	H5	48.7°	180.0°
C5	C3	C4	H6	58.0°	60.0°
C5	C3	C4	H7	178.0°	60.0°
C5	C3	C4	H8	62.0°	180.0°
C3	C5	H10	H11	120.0°	120.0°
C3	C5	H10	H9	120.0°	120.0°
C3	C5	H11	H9	120.0°	120.0°
C5	C3	N1	H12	11.1°	120.0°
C3	N1	C6	H12	180.0°	179.9°
C3	N1	C6	O1	8.9°	4.4°
C3	N1	C6	C7	168.1°	175.6°
N1	C3	C2	H4	74.1°	60.0°
N1	C3	C2	H5	167.9°	60.0°
N1	C3	C4	H6	61.8°	180.0°
N1	C3	C4	H7	58.2°	60.1°
N1	C3	C4	H8	178.2°	59.9°
N1	C3	C5	H10	61.9°	60.0°
N1	C3	C5	H11	178.2°	60.1°
N1	C3	C5	H9	58.1°	180.0°
N1	C6	O1	C7	176.8°	180.0°
N1	C6	C7	C8	29.7°	4.9°
N1	C6	C7	N3	147.3°	175.5°
O1	C6	C7	C8	147.2°	175.2°
O1	C6	C7	N3	35.7°	4.4°
O1	C6	N1	H12	171.1°	175.7°
C6	C7	C8	N3	177.4°	179.7°
C6	C7	C8	C9	179.0°	180.0°
C6	C7	N3	N2	179.4°	179.8°
C6	C7	N3	C11	2.6°	0.1°
C7	C6	N1	H12	11.9°	4.4°
C6	C7	C8	H13	1.0°	0.0°
C7	C8	C9	H13	180.0°	180.0°
C7	C8	C9	C10	178.9°	179.9°
C7	C8	C9	N2	0.9°	0.0°
C8	C7	N3	N2	1.7°	0.5°
C8	C7	N3	C11	179.8°	179.8°
C8	C9	C10	N2	177.9°	179.9°
C8	C9	N2	N3	0.1°	0.3°
C9	C8	C7	N3	1.6°	0.3°
C8	C9	C10	H14	177.8°	90.0°
C8	C9	C10	H15	57.9°	150.0°
C8	C9	C10	H16	62.2°	30.0°
C10	C9	N2	N3	178.1°	179.6°
C10	C9	C8	H13	1.0°	0.1°
C9	C10	H14	H15	120.0°	120.1°
C9	C10	H14	H16	120.0°	120.0°
C9	C10	H15	H16	120.0°	120.0°
C9	N2	N3	C11	179.4°	179.7°
C9	N2	N3	C7	1.2°	0.5°
N2	C9	C8	H13	179.1°	180.0°
N2	C9	C10	H14	0.0°	90.0°
N2	C9	C10	H15	120.0°	30.1°
N2	C9	C10	H16	120.0°	150.0°
N2	N3	C11	C7	177.9°	179.7°
N2	N3	C11	H17	0.0°	86.9°
N2	N3	C11	H18	120.0°	33.0°
N2	N3	C11	H19	120.0°	153.0°
N3	C11	H17	H18	120.0°	119.9°
N3	C11	H17	H19	120.0°	120.1°
N3	C11	H18	H19	120.0°	120.0°
N3	C7	C8	H13	178.4°	179.7°
C7	N3	C11	H17	177.9°	92.7°
C7	N3	C11	H18	57.9°	147.3°
C7	N3	C11	H19	62.1°	27.3°
H1	C1	H2	H3	120.0°	120.0°
H1	C1	C2	H4	59.0°	60.0°
H1	C1	C2	H5	59.0°	180.0°
H2	C1	C2	H4	61.0°	180.0°
H2	C1	C2	H5	179.0°	60.0°
H3	C1	C2	H4	179.0°	60.0°
H3	C1	C2	H5	61.0°	60.0°
H6	C4	H7	H8	120.0°	120.0°
H10	C5	H11	H9	120.0°	120.0°
H14	C10	H15	H16	120.0°	119.9°
H17	C11	H18	H19	120.0°	120.1°

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