A1AJR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.53Å	1.52Å
C1	N	sing	1.47Å	1.46Å
N	C2	sing	1.40Å	1.37Å
C2	C3	sing	1.39Å	1.39Å	Aromatic
C3	C4	doub	1.39Å	1.39Å	Aromatic
C4	C5	sing	1.38Å	1.38Å	Aromatic
C5	N1	doub	1.32Å	1.34Å	Aromatic
N1	C6	sing	1.32Å	1.34Å	Aromatic
C2	C6	doub	1.39Å	1.41Å	Aromatic
C6	C7	sing	1.51Å	1.50Å
C	C7	sing	1.53Å	1.52Å
C4	H6	sing	1.08Å	1.08Å
C5	H7	sing	1.08Å	1.08Å
C7	H8	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
C	H	sing	1.09Å	1.10Å
C	H1	sing	1.09Å	1.10Å
N	H4	sing	0.97Å	1.00Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C3	H5	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	N	113.3°	107.8°
C1	C	C7	115.5°	108.9°
C1	C	H	107.9°	109.6°
C1	C	H1	107.9°	109.6°
C	C1	H2	108.5°	109.8°
C	C1	H3	108.5°	109.8°
C1	N	C2	123.1°	118.9°
C1	N	H4	106.0°	120.6°
N	C1	H2	108.5°	109.8°
N	C1	H3	108.5°	109.8°
N	C2	C3	120.5°	119.4°
N	C2	C6	121.8°	121.1°
C2	N	H4	105.9°	120.5°
C2	C3	C4	119.4°	118.3°
C3	C2	C6	117.7°	119.5°
C2	C3	H5	120.3°	120.9°
C3	C4	C5	118.7°	119.0°
C3	C4	H6	120.6°	120.5°
C4	C3	H5	120.3°	120.8°
C4	C5	N1	123.4°	121.0°
C5	C4	H6	120.6°	120.5°
C4	C5	H7	118.3°	119.5°
C5	N1	C6	117.9°	122.1°
N1	C5	H7	118.3°	119.5°
N1	C6	C2	122.8°	120.0°
N1	C6	C7	116.4°	118.8°
C2	C6	C7	120.8°	121.2°
C6	C7	C	112.8°	110.5°
C6	C7	H8	108.6°	109.3°
C6	C7	H9	108.6°	109.3°
C	C7	H8	108.6°	109.3°
C	C7	H9	108.6°	109.2°
C7	C	H	107.9°	109.6°
C7	C	H1	107.9°	109.5°
H8	C7	H9	109.5°	109.3°
H	C	H1	109.5°	109.7°
H2	C1	H3	109.5°	109.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	N	H2	120.6°	119.6°
C	C1	N	H3	120.6°	119.6°
C	C1	N	C2	20.4°	44.5°
C1	C	C7	C6	38.9°	51.5°
C1	C	C7	H	120.9°	119.8°
C1	C	C7	H1	120.9°	119.9°
C1	C	C7	H8	81.6°	68.8°
C1	C	C7	H9	159.4°	171.7°
C1	C	H	H1	117.2°	120.4°
C	C1	N	H4	142.3°	135.5°
C	C1	H2	H3	118.3°	120.8°
C1	N	C2	H4	121.9°	180.0°
C1	N	C2	C3	178.9°	166.8°
C1	N	C2	C6	0.5°	13.5°
N	C1	C	C7	39.6°	63.2°
N	C1	C	H	81.3°	177.0°
N	C1	C	H1	160.5°	56.6°
N	C1	H2	H3	118.2°	120.8°
N	C2	C3	C6	178.5°	179.7°
N	C2	C3	C4	179.4°	179.6°
N	C2	C6	N1	179.1°	179.5°
N	C2	C6	C7	0.1°	0.7°
C2	N	C1	H2	100.2°	75.1°
C2	N	C1	H3	141.0°	164.1°
N	C2	C3	H5	0.6°	0.5°
C2	C3	C4	H5	180.0°	179.9°
C2	C3	C4	C5	0.4°	0.0°
C3	C2	C6	N1	0.7°	0.2°
C3	C2	C6	C7	178.4°	179.7°
C2	C3	C4	H6	179.6°	180.0°
C3	C2	N	H4	59.2°	13.2°
C3	C4	C5	H6	180.0°	180.0°
C3	C4	C5	N1	0.5°	0.0°
C4	C3	C2	C6	0.9°	0.1°
C3	C4	C5	H7	179.6°	179.8°
C4	C5	N1	H7	180.0°	179.8°
C4	C5	N1	C6	0.7°	0.0°
C5	C4	C3	H5	179.6°	179.9°
C5	N1	C6	C2	0.1°	0.1°
C5	N1	C6	C7	179.2°	179.7°
N1	C5	C4	H6	179.5°	179.9°
N1	C6	C2	C7	179.1°	179.8°
N1	C6	C7	C	159.8°	159.3°
C6	N1	C5	H7	179.3°	179.9°
N1	C6	C7	H8	79.7°	80.4°
N1	C6	C7	H9	39.4°	39.1°
C2	C6	C7	C	19.3°	20.9°
C2	C6	C7	H8	101.2°	99.4°
C2	C6	C7	H9	139.8°	141.0°
C6	C2	N	H4	122.4°	166.5°
C6	C2	C3	H5	179.1°	179.8°
C6	C7	C	H8	120.5°	120.3°
C6	C7	C	H9	120.5°	120.2°
C6	C7	H8	H9	118.5°	119.5°
C6	C7	C	H	82.0°	171.4°
C6	C7	C	H1	159.7°	68.3°
C	C7	H8	H9	118.5°	119.4°
C7	C	H	H1	117.3°	120.3°
C7	C	C1	H2	81.0°	56.4°
C7	C	C1	H3	160.1°	177.3°
H6	C4	C5	H7	0.4°	0.2°
H6	C4	C3	H5	0.4°	0.0°
H8	C7	C	H	157.5°	51.0°
H8	C7	C	H1	39.2°	171.3°
H9	C7	C	H	38.5°	68.4°
H9	C7	C	H1	79.8°	51.9°
H	C	C1	H2	158.1°	63.4°
H	C	C1	H3	39.2°	57.5°
H1	C	C1	H2	39.9°	176.3°
H1	C	C1	H3	79.0°	62.9°
H4	N	C1	H2	21.7°	104.9°
H4	N	C1	H3	97.2°	15.9°

Release date:	2024-05-08
Definition date:	2024-04-03
Last modified:	2024-05-03
Release status:	REL
Processing site:	RCSB
Derived from:	7H1U