A1AJN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	N	sing	1.47Å	1.46Å
C1	C	sing	1.53Å	1.55Å
C2	C1	sing	1.51Å	1.53Å
C2	N1	doub	1.32Å	1.34Å	Aromatic
N1	C3	sing	1.32Å	1.34Å	Aromatic
C3	C4	doub	1.38Å	1.38Å	Aromatic
C4	C5	sing	1.39Å	1.38Å	Aromatic
C5	C6	doub	1.39Å	1.38Å	Aromatic
C6	C2	sing	1.38Å	1.39Å	Aromatic
C1	C7	sing	1.54Å	1.55Å
C7	C8	sing	1.55Å	1.53Å
C8	C9	sing	1.55Å	1.45Å
C9	C10	sing	1.54Å	1.52Å
C10	C1	sing	1.54Å	1.55Å
C4	H5	sing	1.08Å	1.08Å
C5	H6	sing	1.08Å	1.08Å
C6	H7	sing	1.08Å	1.08Å
C7	H8	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
C8	H10	sing	1.09Å	1.10Å
C8	H11	sing	1.09Å	1.10Å
C10	H14	sing	1.09Å	1.10Å
C10	H15	sing	1.09Å	1.10Å
N	H16	sing	1.01Å	1.00Å
N	H1	sing	1.01Å	1.00Å
C	H3	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C9	H12	sing	1.09Å	1.10Å
C9	H13	sing	1.09Å	1.10Å
C3	H4	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C	C1	112.5°	109.5°
C	N	H16	109.5°	111.0°
C	N	H1	109.4°	111.0°
N	C	H3	108.7°	109.5°
N	C	H2	108.7°	109.5°
C	C1	C2	112.9°	110.0°
C	C1	C7	106.7°	110.0°
C	C1	C10	109.6°	110.0°
C1	C	H3	108.7°	109.5°
C1	C	H2	108.7°	109.5°
C1	C2	N1	117.6°	119.6°
C1	C2	C6	120.3°	119.6°
C2	C1	C7	110.8°	110.1°
C2	C1	C10	112.4°	110.1°
C2	N1	C3	117.9°	121.7°
N1	C2	C6	122.1°	120.7°
N1	C3	C4	123.5°	120.8°
N1	C3	H4	118.2°	119.6°
C3	C4	C5	118.0°	119.1°
C3	C4	H5	121.0°	120.4°
C4	C3	H4	118.3°	119.6°
C4	C5	C6	119.8°	118.5°
C5	C4	H5	121.0°	120.4°
C4	C5	H6	120.1°	120.8°
C5	C6	C2	118.6°	119.2°
C6	C5	H6	120.1°	120.8°
C5	C6	H7	120.7°	120.5°
C2	C6	H7	120.7°	120.4°
C1	C7	C8	105.7°	104.2°
C7	C1	C10	104.0°	106.6°
C1	C7	H8	110.4°	110.5°
C1	C7	H9	110.4°	110.6°
C7	C8	C9	104.9°	102.7°
C8	C7	H8	110.4°	110.5°
C8	C7	H9	110.4°	110.4°
C7	C8	H10	110.6°	110.8°
C7	C8	H11	110.6°	110.7°
C8	C9	C10	105.3°	104.2°
C9	C8	H10	110.6°	110.8°
C9	C8	H11	110.6°	110.8°
C8	C9	H12	110.5°	110.5°
C8	C9	H13	110.5°	110.5°
C9	C10	C1	106.2°	106.6°
C9	C10	H14	110.3°	110.0°
C9	C10	H15	110.3°	110.1°
C10	C9	H12	110.5°	110.4°
C10	C9	H13	110.5°	110.5°
C1	C10	H14	110.3°	110.0°
C1	C10	H15	110.3°	110.1°
H8	C7	H9	109.5°	110.5°
H10	C8	H11	109.5°	110.8°
H14	C10	H15	109.5°	110.0°
H16	N	H1	109.4°	111.1°
H3	C	H2	109.5°	109.4°
H12	C9	H13	109.5°	110.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	C1	H3	120.5°	120.0°
N	C	C1	H2	120.4°	120.0°
N	C	C1	C2	67.9°	58.6°
N	C	C1	C7	170.2°	62.8°
N	C	C1	C10	58.3°	180.0°
C	N	H16	H1	120.0°	123.9°
N	C	H3	H2	118.6°	120.0°
C	C1	C2	C7	119.6°	121.4°
C	C1	C2	C10	124.6°	121.3°
C	C1	C2	N1	16.0°	106.4°
C	C1	C2	C6	164.9°	73.6°
C	C1	C7	C10	115.8°	119.2°
C	C1	C7	C8	128.9°	95.6°
C	C1	C10	C9	104.3°	119.3°
C	C1	C7	H8	9.5°	145.7°
C	C1	C7	H9	111.8°	23.0°
C	C1	C10	H14	15.2°	121.5°
C	C1	C10	H15	136.2°	0.1°
C1	C	N	H16	180.0°	180.0°
C1	C	N	H1	60.0°	56.0°
C1	C	H3	H2	118.6°	120.0°
C1	C2	N1	C6	179.1°	180.0°
C1	C2	N1	C3	179.5°	179.9°
C1	C2	C6	C5	179.1°	179.9°
C2	C1	C7	C10	120.9°	119.4°
C2	C1	C7	C8	107.9°	142.9°
C2	C1	C10	C9	129.3°	119.3°
C1	C2	C6	H7	0.9°	0.0°
C2	C1	C7	H8	132.7°	24.3°
C2	C1	C7	H9	11.5°	98.4°
C2	C1	C10	H14	111.2°	0.1°
C2	C1	C10	H15	9.8°	121.3°
C2	C1	C	H3	171.7°	61.4°
C2	C1	C	H2	52.6°	178.7°
C2	N1	C3	C4	0.5°	0.1°
N1	C2	C6	C5	0.1°	0.0°
N1	C2	C1	C7	135.6°	132.2°
N1	C2	C1	C10	108.6°	14.9°
N1	C2	C6	H7	179.9°	180.0°
C2	N1	C3	H4	179.5°	180.0°
N1	C3	C4	H4	180.0°	179.9°
N1	C3	C4	C5	0.2°	0.1°
C3	N1	C2	C6	0.5°	0.1°
N1	C3	C4	H5	179.8°	179.9°
C3	C4	C5	H5	180.0°	179.9°
C3	C4	C5	C6	0.2°	0.0°
C3	C4	C5	H6	179.8°	180.0°
C4	C5	C6	H6	180.0°	180.0°
C4	C5	C6	C2	0.2°	0.0°
C4	C5	C6	H7	179.7°	180.0°
C5	C4	C3	H4	179.8°	179.9°
C5	C6	C2	H7	180.0°	180.0°
C6	C5	C4	H5	179.8°	179.9°
C6	C2	C1	C7	45.3°	47.8°
C6	C2	C1	C10	70.5°	165.0°
C2	C6	C5	H6	179.8°	180.0°
C1	C7	C8	H8	119.4°	118.7°
C1	C7	C8	H9	119.4°	118.8°
C1	C7	C8	C9	32.2°	37.9°
C7	C1	C10	C9	9.4°	0.1°
C1	C7	H8	H9	121.7°	122.7°
C1	C7	C8	H10	151.5°	80.4°
C1	C7	C8	H11	87.1°	156.2°
C7	C1	C10	H14	128.9°	119.3°
C7	C1	C10	H15	110.1°	119.3°
C7	C1	C	H3	49.7°	177.2°
C7	C1	C	H2	69.4°	57.2°
C7	C8	C9	H10	119.3°	118.3°
C7	C8	C9	H11	119.3°	118.3°
C7	C8	C9	C10	38.3°	38.0°
C8	C7	C1	C10	13.1°	23.6°
C8	C7	H8	H9	121.8°	122.5°
C7	C8	H10	H11	122.1°	123.3°
C7	C8	C9	H12	81.0°	156.6°
C7	C8	C9	H13	157.6°	80.8°
C8	C9	C10	H12	119.3°	118.6°
C8	C9	C10	H13	119.4°	118.8°
C8	C9	C10	C1	29.9°	23.7°
C9	C8	C7	H8	87.2°	80.7°
C9	C8	C7	H9	151.6°	156.8°
C9	C8	H10	H11	122.1°	123.4°
C8	C9	C10	H14	149.4°	142.9°
C8	C9	C10	H15	89.5°	95.7°
C8	C9	H12	H13	122.0°	122.6°
C9	C10	C1	H14	119.5°	119.2°
C9	C10	C1	H15	119.5°	119.4°
C10	C9	C8	H10	157.5°	80.3°
C10	C9	C8	H11	81.0°	156.3°
C9	C10	H14	H15	121.5°	121.5°
C10	C9	H12	H13	121.9°	122.6°
C10	C1	C7	H8	106.3°	95.1°
C10	C1	C7	H9	132.4°	142.3°
C1	C10	H14	H15	121.5°	121.4°
C10	C1	C	H3	62.2°	60.0°
C10	C1	C	H2	178.7°	60.0°
C1	C10	C9	H12	89.4°	142.3°
C1	C10	C9	H13	149.3°	95.1°
H5	C4	C5	H6	0.2°	0.1°
H5	C4	C3	H4	0.2°	0.0°
H6	C5	C6	H7	0.3°	0.0°
H8	C7	C8	H10	32.1°	160.9°
H8	C7	C8	H11	153.5°	37.5°
H9	C7	C8	H10	89.2°	38.4°
H9	C7	C8	H11	32.3°	85.0°
H10	C8	C9	H12	38.2°	38.3°
H10	C8	C9	H13	83.1°	160.9°
H11	C8	C9	H12	159.7°	85.1°
H11	C8	C9	H13	38.3°	37.5°
H14	C10	C9	H12	30.1°	98.5°
H14	C10	C9	H13	91.2°	24.1°
H15	C10	C9	H12	151.1°	23.0°
H15	C10	C9	H13	29.8°	145.6°
H16	N	C	H3	59.5°	60.0°
H16	N	C	H2	59.6°	60.0°
H1	N	C	H3	60.5°	64.0°
H1	N	C	H2	179.6°	176.0°

Release date:	2024-05-08
Definition date:	2024-04-03
Last modified:	2024-05-03
Release status:	REL
Processing site:	RCSB
Derived from:	7H1M