A1A9N

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C10	sing	1.43Å	1.40Å
C2	C1	sing	1.53Å	1.55Å
C2	C3	sing	1.53Å	1.58Å
C10	C12	sing	1.53Å	1.54Å
C10	C3	sing	1.53Å	1.66Å
C10	C11	sing	1.53Å	1.58Å
C3	N1	sing	1.46Å	1.52Å
N1	C4	sing	1.38Å	1.42Å
C4	C7	doub	1.40Å	1.46Å	Aromatic
C4	N2	sing	1.33Å	1.38Å	Aromatic
C8	C7	sing	1.46Å	1.47Å	Aromatic
C8	C9	doub	1.34Å	1.40Å	Aromatic
C7	C6	sing	1.41Å	1.45Å	Aromatic
N2	C5	doub	1.32Å	1.38Å	Aromatic
C9	N4	sing	1.37Å	1.35Å	Aromatic
C6	N4	sing	1.37Å	1.36Å	Aromatic
C6	N3	doub	1.33Å	1.36Å	Aromatic
C5	N3	sing	1.32Å	1.33Å	Aromatic
C3	H1	sing	1.09Å	1.10Å
C9	H10	sing	1.08Å	1.08Å
C12	H17	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C12	H16	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C2	H6	sing	1.09Å	1.10Å
C5	H8	sing	1.08Å	1.08Å
C8	H9	sing	1.08Å	1.08Å
N1	H7	sing	0.97Å	1.00Å
N4	H11	sing	0.97Å	1.00Å
O1	H18	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C10	C12	110.7°	109.5°
O1	C10	C3	107.9°	109.4°
O1	C10	C11	110.0°	109.5°
C10	O1	H18	109.5°	114.0°
C1	C2	C3	113.5°	109.5°
C2	C1	H2	109.5°	109.5°
C2	C1	H3	109.5°	109.4°
C2	C1	H4	109.5°	109.5°
C1	C2	H5	108.5°	109.5°
C1	C2	H6	108.5°	109.5°
C2	C3	C10	111.1°	109.5°
C2	C3	N1	112.0°	109.4°
C2	C3	H1	106.5°	109.4°
C3	C2	H5	108.4°	109.5°
C3	C2	H6	108.4°	109.5°
C12	C10	C3	107.2°	109.5°
C12	C10	C11	110.3°	109.5°
C10	C12	H17	109.5°	109.5°
C10	C12	H15	109.5°	109.5°
C10	C12	H16	109.5°	109.5°
C3	C10	C11	110.7°	109.5°
C10	C3	N1	113.8°	109.5°
C10	C3	H1	105.7°	109.5°
C10	C11	H14	109.5°	109.5°
C10	C11	H13	109.5°	109.5°
C10	C11	H12	109.5°	109.5°
C3	N1	C4	125.6°	120.0°
N1	C3	H1	107.2°	109.5°
C3	N1	H7	105.3°	120.0°
N1	C4	C7	125.2°	120.8°
N1	C4	N2	117.6°	120.9°
C4	N1	H7	105.3°	120.0°
C7	C4	N2	117.2°	118.3°
C4	C7	C8	140.6°	135.1°
C4	C7	C6	114.4°	118.6°
C4	N2	C5	121.3°	121.1°
C7	C8	C9	107.9°	106.8°
C8	C7	C6	104.9°	106.2°
C7	C8	H9	126.0°	126.6°
C8	C9	N4	107.3°	109.8°
C8	C9	H10	126.4°	125.1°
C9	C8	H9	126.1°	126.6°
C7	C6	N4	106.5°	107.2°
C7	C6	N3	127.5°	118.6°
N2	C5	N3	126.5°	122.7°
N2	C5	H8	116.7°	118.7°
C9	N4	C6	113.5°	110.0°
N4	C9	H10	126.4°	125.1°
C9	N4	H11	123.3°	125.0°
N4	C6	N3	126.0°	134.3°
C6	N4	H11	123.3°	125.0°
C6	N3	C5	113.1°	120.7°
N3	C5	H8	116.8°	118.6°
H17	C12	H15	109.5°	109.4°
H17	C12	H16	109.4°	109.5°
H15	C12	H16	109.5°	109.4°
H2	C1	H3	109.5°	109.5°
H2	C1	H4	109.5°	109.5°
H3	C1	H4	109.5°	109.5°
H14	C11	H13	109.5°	109.5°
H14	C11	H12	109.4°	109.5°
H13	C11	H12	109.5°	109.4°
H5	C2	H6	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C10	C3	C2	37.0°	55.0°
O1	C10	C12	C3	117.4°	119.9°
O1	C10	C12	C11	122.0°	120.0°
O1	C10	C3	C11	120.4°	120.0°
O1	C10	C3	N1	90.5°	65.0°
O1	C10	C3	H1	152.1°	175.0°
O1	C10	C12	H17	180.0°	180.0°
O1	C10	C12	H15	60.0°	60.0°
O1	C10	C12	H16	60.0°	59.9°
O1	C10	C11	H14	180.0°	180.0°
O1	C10	C11	H13	60.0°	60.0°
O1	C10	C11	H12	60.0°	60.0°
C1	C2	C3	H5	120.6°	120.0°
C1	C2	C3	H6	120.6°	120.0°
C1	C2	C3	C10	165.7°	175.0°
C1	C2	C3	N1	65.8°	65.0°
C1	C2	C3	H1	51.1°	55.0°
C2	C1	H2	H3	120.0°	120.0°
C2	C1	H2	H4	120.0°	120.0°
C2	C1	H3	H4	120.0°	120.0°
C1	C2	H5	H6	118.2°	120.0°
C2	C3	C10	C12	82.2°	65.0°
C2	C3	C10	N1	127.6°	120.0°
C2	C3	C10	H1	115.1°	120.0°
C2	C3	C10	C11	157.5°	175.0°
C2	C3	N1	H1	116.4°	120.0°
C2	C3	N1	C4	126.1°	85.0°
C3	C2	C1	H2	180.0°	60.0°
C3	C2	C1	H3	60.0°	180.0°
C3	C2	C1	H4	60.0°	60.0°
C3	C2	H5	H6	118.1°	120.0°
C2	C3	N1	H7	4.0°	95.0°
C12	C10	C3	C11	120.3°	120.0°
C12	C10	C3	N1	150.2°	175.0°
C12	C10	C3	H1	32.9°	55.0°
C10	C12	H17	H15	120.0°	120.0°
C10	C12	H17	H16	120.0°	120.1°
C10	C12	H15	H16	120.0°	120.0°
C12	C10	C11	H14	57.6°	60.0°
C12	C10	C11	H13	177.6°	180.0°
C12	C10	C11	H12	62.4°	60.0°
C12	C10	O1	H18	180.0°	60.1°
C10	C3	N1	H1	116.5°	120.0°
C10	C3	N1	C4	106.8°	154.9°
C3	C10	C12	H17	62.6°	60.1°
C3	C10	C12	H15	177.4°	180.0°
C3	C10	C12	H16	57.4°	60.0°
C3	C10	C11	H14	60.9°	60.0°
C3	C10	C11	H13	59.1°	60.0°
C3	C10	C11	H12	179.1°	180.0°
C10	C3	C2	H5	73.7°	55.0°
C10	C3	C2	H6	45.1°	65.0°
C10	C3	N1	H7	131.0°	25.0°
C3	C10	O1	H18	63.0°	180.0°
C11	C10	C3	N1	29.9°	55.0°
C11	C10	C3	H1	87.4°	65.0°
C11	C10	C12	H17	58.0°	59.9°
C11	C10	C12	H15	62.0°	60.0°
C11	C10	C12	H16	178.0°	179.9°
C10	C11	H14	H13	120.0°	120.0°
C10	C11	H14	H12	120.0°	120.0°
C10	C11	H13	H12	120.0°	120.0°
C11	C10	O1	H18	57.9°	60.0°
C3	N1	C4	H7	122.1°	179.9°
C3	N1	C4	C7	174.9°	180.0°
C3	N1	C4	N2	4.8°	0.1°
N1	C3	C2	H5	54.9°	175.0°
N1	C3	C2	H6	173.6°	55.0°
N1	C4	C7	N2	179.7°	179.9°
N1	C4	C7	C8	0.5°	0.1°
N1	C4	C7	C6	179.9°	179.9°
N1	C4	N2	C5	180.0°	179.9°
C4	N1	C3	H1	9.7°	34.9°
C4	C7	C8	C6	179.7°	180.0°
C4	C7	C8	C9	179.8°	180.0°
C7	C4	N2	C5	0.3°	0.0°
C4	C7	C6	N4	179.7°	180.0°
C4	C7	C6	N3	0.2°	0.0°
C4	C7	C8	H9	0.2°	0.1°
C7	C4	N1	H7	63.0°	0.1°
N2	C4	C7	C8	179.8°	180.0°
N2	C4	C7	C6	0.2°	0.0°
C4	N2	C5	N3	0.3°	0.0°
C4	N2	C5	H8	179.7°	180.0°
N2	C4	N1	H7	117.3°	180.0°
C7	C8	C9	H9	180.0°	180.0°
C7	C8	C9	N4	0.2°	0.0°
C8	C7	C6	N4	0.0°	0.0°
C8	C7	C6	N3	180.0°	180.0°
C7	C8	C9	H10	179.8°	180.0°
C9	C8	C7	C6	0.1°	0.0°
C8	C9	N4	H10	180.0°	179.9°
C8	C9	N4	C6	0.2°	0.0°
C8	C9	N4	H11	179.8°	180.0°
C7	C6	N4	C9	0.2°	0.0°
C7	C6	N4	N3	179.9°	179.9°
C7	C6	N3	C5	0.2°	0.0°
C6	C7	C8	H9	179.9°	179.9°
C7	C6	N4	H11	179.9°	180.0°
N2	C5	N3	C6	0.3°	0.0°
N2	C5	N3	H8	180.0°	180.0°
C9	N4	C6	H11	180.0°	180.0°
C9	N4	C6	N3	179.9°	179.9°
N4	C9	C8	H9	179.8°	179.9°
N4	C6	N3	C5	179.7°	180.0°
C6	N4	C9	H10	179.8°	180.0°
C6	N3	C5	H8	179.7°	180.0°
N3	C6	N4	H11	0.1°	0.0°
H1	C3	C2	H5	171.7°	65.0°
H1	C3	C2	H6	69.5°	175.0°
H1	C3	N1	H7	112.5°	145.0°
H10	C9	C8	H9	0.2°	0.0°
H10	C9	N4	H11	0.2°	0.1°
H17	C12	H15	H16	120.0°	120.0°
H2	C1	H3	H4	120.0°	120.0°
H2	C1	C2	H5	59.4°	60.0°
H2	C1	C2	H6	59.4°	180.0°
H3	C1	C2	H5	60.6°	60.0°
H3	C1	C2	H6	179.4°	60.0°
H4	C1	C2	H5	179.4°	180.0°
H4	C1	C2	H6	60.6°	60.0°
H14	C11	H13	H12	120.0°	120.0°

Release date:	2025-06-11
Definition date:	2024-09-23
Last modified:	2025-06-06
Release status:	REL
Processing site:	RCSB
Derived from:	7HEB