A1AJF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	N	doub	1.32Å	1.34Å	Aromatic
N	C1	sing	1.33Å	1.35Å	Aromatic
N1	C1	sing	1.38Å	1.39Å
N1	C2	sing	1.47Å	1.48Å
C2	C3	sing	1.54Å	1.52Å
C3	C4	sing	1.55Å	1.53Å
N2	C4	sing	1.47Å	1.46Å
N2	C5	sing	1.34Å	1.33Å	Aromatic
C5	N3	doub	1.31Å	1.31Å	Aromatic
N3	C6	sing	1.33Å	1.35Å	Aromatic
C6	N4	doub	1.31Å	1.31Å	Aromatic
N4	N2	sing	1.40Å	1.36Å	Aromatic
C4	C7	sing	1.55Å	1.52Å
C7	N1	sing	1.48Å	1.45Å
C1	C8	doub	1.40Å	1.43Å	Aromatic
C8	C9	sing	1.46Å	1.43Å	Aromatic
C9	C10	doub	1.34Å	1.36Å	Aromatic
N5	C10	sing	1.37Å	1.38Å	Aromatic
C11	N5	sing	1.37Å	1.37Å	Aromatic
C8	C11	sing	1.41Å	1.40Å	Aromatic
N6	C11	doub	1.33Å	1.34Å	Aromatic
C	N6	sing	1.32Å	1.34Å	Aromatic
C4	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.08Å	1.08Å
C6	H8	sing	1.08Å	1.08Å
C7	H9	sing	1.09Å	1.10Å
C7	H10	sing	1.09Å	1.10Å
C10	H12	sing	1.08Å	1.08Å
C9	H11	sing	1.08Å	1.08Å
N5	H	sing	0.97Å	1.00Å
C	H1	sing	1.08Å	1.08Å
C3	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	N	C1	115.1°	121.0°
N	C	N6	129.0°	122.8°
N	C	H1	115.5°	118.6°
N	C1	N1	116.0°	120.8°
N	C1	C8	123.2°	118.3°
C1	N1	C2	122.2°	111.0°
C1	N1	C7	125.4°	111.1°
N1	C1	C8	120.8°	120.9°
N1	C2	C3	104.1°	107.3°
C2	N1	C7	112.4°	108.6°
N1	C2	H2	110.8°	109.9°
N1	C2	H3	110.8°	109.8°
C2	C3	C4	104.7°	103.0°
C2	C3	H4	110.6°	110.7°
C2	C3	H5	110.7°	110.8°
C3	C2	H2	110.8°	110.0°
C3	C2	H3	110.8°	109.9°
C3	C4	N2	113.7°	111.0°
C3	C4	C7	103.9°	101.7°
C3	C4	H6	106.9°	111.0°
C4	C3	H4	110.6°	110.7°
C4	C3	H5	110.7°	110.7°
C4	N2	C5	129.0°	126.8°
C4	N2	N4	121.5°	126.8°
N2	C4	C7	117.0°	111.0°
N2	C4	H6	107.8°	110.9°
N2	C5	N3	111.0°	108.1°
C5	N2	N4	109.3°	106.4°
N2	C5	H7	124.5°	125.9°
C5	N3	C6	102.2°	109.8°
N3	C5	H7	124.5°	126.0°
N3	C6	N4	115.4°	109.0°
N3	C6	H8	122.3°	125.5°
C6	N4	N2	102.0°	106.7°
N4	C6	H8	122.3°	125.5°
C4	C7	N1	103.8°	104.8°
C7	C4	H6	107.0°	111.0°
C4	C7	H9	110.9°	110.4°
C4	C7	H10	110.9°	110.4°
N1	C7	H9	110.8°	110.3°
N1	C7	H10	110.9°	110.4°
C1	C8	C9	140.1°	135.1°
C1	C8	C11	113.2°	118.7°
C8	C9	C10	106.6°	106.8°
C9	C8	C11	106.7°	106.2°
C8	C9	H11	126.7°	126.5°
C9	C10	N5	110.4°	109.8°
C9	C10	H12	124.8°	125.1°
C10	C9	H11	126.7°	126.6°
C10	N5	C11	108.1°	110.0°
N5	C10	H12	124.8°	125.1°
C10	N5	H	126.0°	125.0°
N5	C11	C8	108.3°	107.2°
N5	C11	N6	126.2°	134.3°
C11	N5	H	126.0°	125.0°
C8	C11	N6	125.5°	118.6°
C11	N6	C	113.9°	120.7°
N6	C	H1	115.5°	118.6°
H9	C7	H10	109.5°	110.4°
H4	C3	H5	109.5°	110.6°
H2	C2	H3	109.5°	110.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	N	C1	N1	179.3°	179.7°
C	N	C1	C8	0.2°	0.5°
N	C	N6	C11	2.0°	0.1°
N	C	N6	H1	180.0°	179.8°
N	C1	N1	C8	179.1°	179.7°
N	C1	N1	C2	0.0°	120.4°
N	C1	N1	C7	177.4°	0.5°
N	C1	C8	C9	178.9°	179.8°
N	C1	C8	C11	0.2°	0.5°
C1	N	C	N6	1.0°	0.3°
C1	N	C	H1	179.0°	179.9°
C1	N1	C2	C7	177.7°	122.4°
C1	N1	C2	C3	178.8°	123.3°
C1	N1	C7	C4	160.4°	146.4°
N1	C1	C8	C9	0.2°	0.0°
N1	C1	C8	C11	179.2°	179.7°
C1	N1	C7	H9	80.5°	27.5°
C1	N1	C7	H10	41.3°	94.8°
C1	N1	C2	H2	59.6°	117.2°
C1	N1	C2	H3	62.1°	3.9°
N1	C2	C3	H2	119.2°	119.5°
N1	C2	C3	H3	119.1°	119.3°
N1	C2	C3	C4	22.7°	22.4°
C2	N1	C7	C4	17.2°	24.0°
C2	N1	C1	C8	179.1°	59.8°
C2	N1	C7	H9	101.9°	94.8°
C2	N1	C7	H10	136.3°	142.9°
N1	C2	C3	H4	96.5°	96.0°
N1	C2	C3	H5	141.9°	140.8°
N1	C2	H2	H3	122.5°	121.0°
C2	C3	C4	H4	119.2°	118.4°
C2	C3	C4	H5	119.2°	118.5°
C2	C3	C4	N2	95.0°	153.8°
C2	C3	C4	C7	33.2°	35.7°
C3	C2	N1	C7	3.5°	0.9°
C2	C3	C4	H6	146.2°	82.4°
C2	C3	H4	H5	122.2°	123.3°
C3	C2	H2	H3	122.5°	121.1°
C3	C4	N2	C7	121.2°	112.3°
C3	C4	N2	H6	118.3°	123.9°
C3	C4	N2	C5	105.0°	27.3°
C3	C4	N2	N4	71.2°	152.7°
C3	C4	C7	H6	112.8°	118.1°
C3	C4	C7	N1	30.6°	37.1°
C3	C4	C7	H9	88.5°	81.7°
C3	C4	C7	H10	149.7°	156.0°
C4	C3	H4	H5	122.2°	123.1°
C4	C3	C2	H2	141.8°	97.1°
C4	C3	C2	H3	96.5°	141.7°
C4	N2	C5	N4	176.6°	180.0°
C4	N2	C5	N3	175.5°	180.0°
C4	N2	N4	C6	175.9°	180.0°
N2	C4	C7	H6	120.9°	123.8°
N2	C4	C7	N1	95.7°	155.2°
C4	N2	C5	H7	4.5°	0.0°
N2	C4	C7	H9	145.2°	36.4°
N2	C4	C7	H10	23.4°	85.9°
N2	C4	C3	H4	145.7°	35.4°
N2	C4	C3	H5	24.2°	87.7°
N2	C5	N3	H7	180.0°	180.0°
N2	C5	N3	C6	0.6°	0.0°
C5	N2	N4	C6	1.0°	0.0°
C5	N2	C4	C7	133.8°	85.0°
C5	N2	C4	H6	13.2°	151.2°
C5	N3	C6	N4	0.0°	0.0°
N3	C5	N2	N4	1.1°	0.0°
C5	N3	C6	H8	180.0°	179.9°
N3	C6	N4	H8	180.0°	179.9°
N3	C6	N4	N2	0.7°	0.0°
C6	N3	C5	H7	179.4°	180.0°
N4	N2	C4	C7	50.0°	95.0°
N4	N2	C4	H6	170.5°	28.9°
N4	N2	C5	H7	178.9°	180.0°
N2	N4	C6	H8	179.4°	179.9°
C4	C7	N1	H9	119.1°	118.8°
C4	C7	N1	H10	119.1°	118.9°
C4	C7	H9	H10	122.6°	122.3°
C7	C4	C3	H4	86.0°	82.7°
C7	C4	C3	H5	152.5°	154.2°
C7	N1	C1	C8	3.5°	179.3°
N1	C7	C4	H6	143.4°	81.1°
N1	C7	H9	H10	122.6°	122.3°
C7	N1	C2	H2	122.7°	120.4°
C7	N1	C2	H3	115.6°	118.5°
C1	C8	C9	C11	179.1°	179.7°
C1	C8	C9	C10	178.1°	179.7°
C1	C8	C11	N5	178.2°	179.8°
C1	C8	C11	N6	0.9°	0.3°
C1	C8	C9	H11	1.9°	0.3°
C8	C9	C10	H11	180.0°	180.0°
C8	C9	C10	N5	0.5°	0.0°
C9	C8	C11	N5	1.2°	0.0°
C9	C8	C11	N6	179.7°	180.0°
C8	C9	C10	H12	179.5°	180.0°
C9	C10	N5	H12	180.0°	180.0°
C9	C10	N5	C11	0.3°	0.0°
C10	C9	C8	C11	1.0°	0.0°
C9	C10	N5	H	179.7°	180.0°
C10	N5	C11	H	180.0°	180.0°
C10	N5	C11	C8	0.9°	0.0°
C10	N5	C11	N6	179.9°	180.0°
N5	C10	C9	H11	179.6°	180.0°
N5	C11	C8	N6	179.1°	180.0°
N5	C11	N6	C	177.1°	179.9°
C11	N5	C10	H12	179.7°	180.0°
C8	C11	N6	C	1.9°	0.0°
C11	C8	C9	H11	179.0°	180.0°
C8	C11	N5	H	179.1°	180.0°
N6	C11	N5	H	0.1°	0.0°
C11	N6	C	H1	178.0°	179.8°
H6	C4	C7	H9	24.3°	160.2°
H6	C4	C7	H10	97.5°	37.8°
H6	C4	C3	H4	27.0°	159.2°
H6	C4	C3	H5	94.6°	36.1°
H12	C10	C9	H11	0.5°	0.0°
H12	C10	N5	H	0.3°	0.0°
H4	C3	C2	H2	22.6°	144.5°
H4	C3	C2	H3	144.3°	23.3°
H5	C3	C2	H2	99.0°	21.3°
H5	C3	C2	H3	22.8°	99.9°

Release date:	2024-05-15
Definition date:	2024-04-03
Last modified:	2024-05-10
Release status:	REL
Processing site:	RCSB
Derived from:	7GYY