A1A9T

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C11	sing	1.54Å	1.55Å
C10	C9	sing	1.54Å	1.54Å
C11	C2	sing	1.54Å	1.54Å
C9	C2	sing	1.54Å	1.57Å
C2	C1	sing	1.53Å	1.57Å
C2	N1	sing	1.46Å	1.47Å
C1	O1	sing	1.43Å	1.41Å
N1	C3	sing	1.38Å	1.39Å
C3	C6	doub	1.40Å	1.45Å	Aromatic
C3	N2	sing	1.33Å	1.38Å	Aromatic
C7	C6	sing	1.46Å	1.46Å	Aromatic
C7	C8	doub	1.34Å	1.39Å	Aromatic
C6	C5	sing	1.41Å	1.43Å	Aromatic
N2	C4	doub	1.32Å	1.38Å	Aromatic
C8	N4	sing	1.37Å	1.38Å	Aromatic
C5	N4	sing	1.37Å	1.37Å	Aromatic
C5	N3	doub	1.33Å	1.36Å	Aromatic
C4	N3	sing	1.32Å	1.33Å	Aromatic
C9	H10	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C10	H12	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
C4	H5	sing	1.08Å	1.08Å
C7	H6	sing	1.08Å	1.08Å
C8	H7	sing	1.08Å	1.08Å
N1	H4	sing	0.97Å	1.00Å
N4	H8	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)
C11	C10	C9	88.6°	87.1°
C10	C11	C2	91.0°	87.1°
C11	C10	H12	114.4°	113.6°
C11	C10	H11	114.4°	113.6°
C10	C11	H13	113.9°	113.6°
C10	C11	H14	113.9°	113.6°
C10	C9	C2	90.4°	87.0°
C10	C9	H10	114.0°	113.6°
C10	C9	H9	114.0°	113.7°
C9	C10	H12	114.4°	113.6°
C9	C10	H11	114.4°	113.6°
C11	C2	C9	87.5°	87.1°
C11	C2	C1	111.2°	113.7°
C11	C2	N1	110.6°	113.6°
C2	C11	H13	113.8°	113.6°
C2	C11	H14	113.9°	113.6°
C9	C2	C1	111.9°	113.6°
C9	C2	N1	116.2°	113.6°
C2	C9	H10	114.0°	113.6°
C2	C9	H9	114.0°	113.6°
C1	C2	N1	115.9°	112.9°
C2	C1	O1	108.2°	109.4°
C2	C1	H2	109.8°	109.4°
C2	C1	H3	109.8°	109.5°
C2	N1	C3	127.9°	120.0°
C2	N1	H4	104.7°	120.0°
O1	C1	H2	109.8°	109.5°
O1	C1	H3	109.8°	109.5°
C1	O1	H1	109.5°	114.0°
N1	C3	C6	123.2°	120.8°
N1	C3	N2	118.3°	120.8°
C3	N1	H4	104.7°	120.0°
C6	C3	N2	118.5°	118.3°
C3	C6	C7	141.2°	135.1°
C3	C6	C5	114.8°	118.7°
C3	N2	C4	119.5°	121.0°
C6	C7	C8	108.8°	106.8°
C7	C6	C5	104.0°	106.2°
C6	C7	H6	125.6°	126.6°
C7	C8	N4	107.9°	109.8°
C8	C7	H6	125.6°	126.6°
C7	C8	H7	126.0°	125.1°
C6	C5	N4	109.2°	107.1°
C6	C5	N3	126.6°	118.5°
N2	C4	N3	127.0°	122.7°
N2	C4	H5	116.5°	118.7°
C8	N4	C5	110.1°	110.0°
N4	C8	H7	126.1°	125.1°
C8	N4	H8	125.0°	125.0°
N4	C5	N3	124.2°	134.3°
C5	N4	H8	124.9°	125.0°
C5	N3	C4	113.6°	120.7°
N3	C4	H5	116.5°	118.6°
H10	C9	H9	109.4°	112.9°
H2	C1	H3	109.5°	109.5°
H12	C10	H11	109.5°	112.9°
H13	C11	H14	109.5°	112.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C10	C9	H12	116.3°	114.6°
C11	C10	C9	H11	116.3°	114.6°
C10	C11	C2	H13	116.8°	114.6°
C10	C11	C2	H14	116.8°	114.6°
C11	C10	C9	C2	11.9°	25.4°
C10	C11	C2	C1	124.4°	140.0°
C10	C11	C2	N1	105.3°	89.1°
C11	C10	C9	H10	104.8°	89.1°
C11	C10	C9	H9	128.5°	139.9°
C11	C10	H12	H11	130.0°	131.3°
C10	C11	H13	H14	128.8°	131.3°
C10	C9	C2	H10	116.7°	114.5°
C10	C9	C2	H9	116.7°	114.6°
C10	C9	C2	C1	123.9°	140.0°
C10	C9	C2	N1	99.9°	89.1°
C10	C9	H10	H9	129.1°	131.4°
C9	C10	H12	H11	129.9°	131.2°
C9	C10	C11	H13	128.8°	140.0°
C9	C10	C11	H14	104.7°	89.1°
C11	C2	C9	C1	111.9°	114.6°
C11	C2	C9	N1	111.8°	114.6°
C11	C2	C1	N1	127.5°	131.3°
C11	C2	C1	O1	88.2°	84.6°
C11	C2	N1	C3	170.2°	161.6°
C11	C2	C9	H10	104.7°	89.1°
C11	C2	C9	H9	128.6°	140.0°
C11	C2	C1	H2	31.6°	35.4°
C11	C2	C1	H3	152.0°	155.4°
C2	C11	C10	H12	128.3°	89.1°
C2	C11	C10	H11	104.2°	140.0°
C2	C11	H13	H14	128.7°	131.2°
C11	C2	N1	H4	47.8°	18.5°
C9	C2	C1	N1	136.4°	131.2°
C9	C2	C1	O1	175.7°	178.0°
C9	C2	N1	C3	72.5°	64.1°
C2	C9	H10	H9	129.0°	131.2°
C9	C2	C1	H2	64.6°	62.1°
C9	C2	C1	H3	55.9°	57.9°
C2	C9	C10	H12	128.2°	89.1°
C2	C9	C10	H11	104.4°	140.0°
C9	C2	C11	H13	128.6°	140.0°
C9	C2	C11	H14	104.9°	89.2°
C9	C2	N1	H4	49.9°	116.0°
C2	C1	O1	H2	119.8°	119.9°
C2	C1	O1	H3	119.8°	120.0°
C1	C2	N1	C3	62.0°	67.1°
C1	C2	C9	H10	7.2°	25.5°
C1	C2	C9	H9	119.5°	105.4°
C2	C1	H2	H3	120.6°	120.0°
C1	C2	C11	H13	118.8°	105.4°
C1	C2	C11	H14	7.6°	25.4°
C1	C2	N1	H4	175.6°	112.8°
C2	C1	O1	H1	180.0°	179.9°
N1	C2	C1	O1	39.3°	46.8°
C2	N1	C3	H4	122.4°	179.9°
C2	N1	C3	C6	173.9°	177.7°
C2	N1	C3	N2	6.0°	2.4°
N1	C2	C9	H10	143.4°	156.3°
N1	C2	C9	H9	16.8°	25.5°
N1	C2	C1	H2	159.1°	166.7°
N1	C2	C1	H3	80.5°	73.3°
N1	C2	C11	H13	11.5°	25.5°
N1	C2	C11	H14	138.0°	156.3°
O1	C1	H2	H3	120.6°	120.1°
N1	C3	C6	N2	179.9°	180.0°
N1	C3	C6	C7	0.1°	0.1°
N1	C3	C6	C5	180.0°	180.0°
N1	C3	N2	C4	180.0°	180.0°
C3	C6	C7	C5	180.0°	179.9°
C3	C6	C7	C8	179.9°	180.0°
C6	C3	N2	C4	0.1°	0.1°
C3	C6	C5	N4	180.0°	180.0°
C3	C6	C5	N3	0.1°	0.1°
C3	C6	C7	H6	0.1°	0.0°
C6	C3	N1	H4	51.5°	2.4°
N2	C3	C6	C7	179.8°	180.0°
N2	C3	C6	C5	0.1°	0.1°
C3	N2	C4	N3	0.1°	0.1°
C3	N2	C4	H5	179.9°	180.0°
N2	C3	N1	H4	128.4°	177.6°
C6	C7	C8	H6	180.0°	180.0°
C6	C7	C8	N4	0.2°	0.0°
C7	C6	C5	N4	0.0°	0.1°
C7	C6	C5	N3	179.9°	180.0°
C6	C7	C8	H7	179.8°	180.0°
C8	C7	C6	C5	0.1°	0.0°
C7	C8	N4	H7	180.0°	180.0°
C7	C8	N4	C5	0.2°	0.0°
C7	C8	N4	H8	179.8°	180.0°
C6	C5	N4	C8	0.1°	0.1°
C6	C5	N4	N3	179.9°	179.9°
C6	C5	N3	C4	0.0°	0.1°
C5	C6	C7	H6	179.9°	180.0°
C6	C5	N4	H8	179.9°	180.0°
N2	C4	N3	C5	0.1°	0.1°
N2	C4	N3	H5	180.0°	179.9°
C8	N4	C5	H8	180.0°	180.0°
C8	N4	C5	N3	180.0°	180.0°
N4	C8	C7	H6	179.8°	180.0°
N4	C5	N3	C4	179.8°	180.0°
C5	N4	C8	H7	179.8°	179.9°
C5	N3	C4	H5	179.9°	180.0°
N3	C5	N4	H8	0.0°	0.0°
H10	C9	C10	H12	11.5°	156.3°
H10	C9	C10	H11	139.0°	25.5°
H9	C9	C10	H12	115.2°	25.4°
H9	C9	C10	H11	12.3°	105.5°
H2	C1	O1	H1	60.2°	60.0°
H3	C1	O1	H1	60.2°	60.0°
H12	C10	C11	H13	114.9°	25.4°
H12	C10	C11	H14	11.6°	156.3°
H11	C10	C11	H13	12.6°	105.5°
H11	C10	C11	H14	139.1°	25.4°
H6	C7	C8	H7	0.2°	0.0°
H7	C8	N4	H8	0.2°	0.0°

Release date:	2025-06-11
Definition date:	2024-09-24
Last modified:	2025-06-06
Release status:	REL
Processing site:	RCSB
Derived from:	7HED