AC2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C3' | O3' | sing | 1.43Å | 1.45Å | |
C3' | C2' | sing | 1.53Å | 1.51Å | |
C3' | H3'1 | sing | 1.09Å | 1.12Å | |
C3' | H3'2 | sing | 1.09Å | 1.11Å | |
O3' | HO'3 | sing | 0.97Å | 0.95Å | |
C2' | O1' | sing | 1.43Å | 1.41Å | |
C2' | H2'1 | sing | 1.09Å | 1.11Å | |
C2' | H2'2 | sing | 1.09Å | 1.11Å | |
O1' | C1' | sing | 1.43Å | 1.39Å | |
C1' | N9 | sing | 1.46Å | 1.43Å | |
C1' | H1'1 | sing | 1.09Å | 1.12Å | |
C1' | H1'2 | sing | 1.09Å | 1.12Å | |
N9 | C8 | sing | 1.36Å | 1.40Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.32Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N7 | C5 | sing | 1.35Å | 1.45Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.45Å | |
C5 | C4 | doub | 1.40Å | 1.37Å | Aromatic |
C6 | O6 | doub | 1.22Å | 1.23Å | |
C6 | N1 | sing | 1.35Å | 1.36Å | |
N1 | C2 | sing | 1.36Å | 1.33Å | |
N1 | HN1 | sing | 0.97Å | 1.02Å | |
C2 | N2 | sing | 1.37Å | 1.32Å | |
C2 | N3 | doub | 1.31Å | 1.33Å | |
N2 | HN21 | sing | 0.97Å | 1.02Å | |
N2 | HN22 | sing | 0.97Å | 1.02Å | |
N3 | C4 | sing | 1.34Å | 1.34Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3' | C3' | C2' | 111.0° | 109.5° |
O3' | C3' | H3'1 | 111.6° | 109.4° |
O3' | C3' | H3'2 | 111.6° | 109.5° |
C3' | O3' | HO'3 | 111.0° | 106.8° |
C2' | C3' | H3'1 | 111.6° | 109.5° |
C2' | C3' | H3'2 | 111.7° | 109.5° |
C3' | C2' | O1' | 104.7° | 109.5° |
C3' | C2' | H2'1 | 114.0° | 109.5° |
C3' | C2' | H2'2 | 113.9° | 109.5° |
H3'1 | C3' | H3'2 | 98.8° | 109.4° |
O1' | C2' | H2'1 | 114.0° | 109.5° |
O1' | C2' | H2'2 | 114.0° | 109.4° |
C2' | O1' | C1' | 109.6° | 106.8° |
H2'1 | C2' | H2'2 | 96.5° | 109.4° |
O1' | C1' | N9 | 102.6° | 109.4° |
O1' | C1' | H1'1 | 114.8° | 109.5° |
O1' | C1' | H1'2 | 114.8° | 109.5° |
N9 | C1' | H1'1 | 114.9° | 109.5° |
N9 | C1' | H1'2 | 114.8° | 109.4° |
C1' | N9 | C8 | 128.1° | 126.3° |
C1' | N9 | C4 | 127.4° | 126.3° |
H1'1 | C1' | H1'2 | 95.6° | 109.5° |
C8 | N9 | C4 | 104.4° | 107.4° |
N9 | C8 | N7 | 115.5° | 109.8° |
N9 | C8 | H8 | 124.8° | 125.1° |
N9 | C4 | C5 | 107.3° | 106.1° |
N9 | C4 | N3 | 126.5° | 134.2° |
N7 | C8 | H8 | 119.7° | 125.0° |
C8 | N7 | C5 | 101.6° | 109.3° |
N7 | C5 | C6 | 130.9° | 134.2° |
N7 | C5 | C4 | 111.2° | 107.3° |
C6 | C5 | C4 | 117.8° | 118.6° |
C5 | C6 | O6 | 133.0° | 120.8° |
C5 | C6 | N1 | 113.4° | 118.3° |
C5 | C4 | N3 | 126.2° | 119.7° |
O6 | C6 | N1 | 113.6° | 120.8° |
C6 | N1 | C2 | 124.8° | 120.4° |
C6 | N1 | HN1 | 118.8° | 119.8° |
C2 | N1 | HN1 | 116.4° | 119.8° |
N1 | C2 | N2 | 112.5° | 119.1° |
N1 | C2 | N3 | 123.5° | 121.9° |
N2 | C2 | N3 | 124.0° | 119.0° |
C2 | N2 | HN21 | 112.5° | 120.0° |
C2 | N2 | HN22 | 111.1° | 120.0° |
C2 | N3 | C4 | 114.3° | 121.1° |
HN21 | N2 | HN22 | 111.1° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3' | C3' | C2' | H3'1 | 125.2° | 120.0° |
O3' | C3' | C2' | H3'2 | 125.3° | 120.0° |
O3' | C3' | H3'1 | H3'2 | 117.5° | 120.0° |
O3' | C3' | C2' | O1' | 65.0° | 60.0° |
O3' | C3' | C2' | H2'1 | 169.8° | 60.0° |
O3' | C3' | C2' | H2'2 | 60.3° | 180.0° |
C2' | C3' | H3'1 | H3'2 | 117.6° | 120.0° |
C2' | C3' | O3' | HO'3 | 180.0° | 180.0° |
C3' | C2' | O1' | H2'1 | 125.2° | 120.1° |
C3' | C2' | O1' | H2'2 | 125.2° | 120.0° |
C3' | C2' | H2'1 | H2'2 | 119.9° | 120.0° |
C3' | C2' | O1' | C1' | 89.2° | 179.9° |
H3'1 | C3' | O3' | HO'3 | 54.7° | 60.0° |
H3'1 | C3' | C2' | O1' | 60.2° | 180.0° |
H3'1 | C3' | C2' | H2'1 | 65.0° | 59.9° |
H3'1 | C3' | C2' | H2'2 | 174.5° | 60.1° |
H3'2 | C3' | O3' | HO'3 | 54.7° | 60.0° |
H3'2 | C3' | C2' | O1' | 169.8° | 60.0° |
H3'2 | C3' | C2' | H2'1 | 44.5° | 179.9° |
H3'2 | C3' | C2' | H2'2 | 65.0° | 59.9° |
O1' | C2' | H2'1 | H2'2 | 120.0° | 120.0° |
C2' | O1' | C1' | N9 | 92.1° | 180.0° |
C2' | O1' | C1' | H1'1 | 33.2° | 60.0° |
C2' | O1' | C1' | H1'2 | 142.6° | 60.0° |
H2'1 | C2' | O1' | C1' | 145.5° | 60.0° |
H2'2 | C2' | O1' | C1' | 36.0° | 60.0° |
O1' | C1' | N9 | H1'1 | 125.3° | 120.0° |
O1' | C1' | N9 | H1'2 | 125.3° | 120.0° |
O1' | C1' | H1'1 | H1'2 | 120.7° | 120.1° |
O1' | C1' | N9 | C8 | 36.3° | 0.0° |
O1' | C1' | N9 | C4 | 145.0° | 179.9° |
N9 | C1' | H1'1 | H1'2 | 120.7° | 119.9° |
C1' | N9 | C8 | C4 | 179.0° | 180.0° |
C1' | N9 | C8 | N7 | 178.7° | 180.0° |
C1' | N9 | C8 | H8 | 1.2° | 0.0° |
C1' | N9 | C4 | C5 | 180.0° | 180.0° |
C1' | N9 | C4 | N3 | 1.3° | 0.1° |
H1'1 | C1' | N9 | C8 | 161.6° | 120.0° |
H1'1 | C1' | N9 | C4 | 19.7° | 59.9° |
H1'2 | C1' | N9 | C8 | 89.0° | 120.0° |
H1'2 | C1' | N9 | C4 | 89.8° | 60.0° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
N9 | C8 | N7 | C5 | 1.2° | 0.0° |
C8 | N9 | C4 | C5 | 1.0° | 0.0° |
C8 | N9 | C4 | N3 | 177.6° | 180.0° |
C4 | N9 | C8 | N7 | 0.2° | 0.0° |
C4 | N9 | C8 | H8 | 179.8° | 180.0° |
N9 | C4 | C5 | N7 | 1.8° | 0.0° |
N9 | C4 | C5 | C6 | 177.9° | 179.9° |
N9 | C4 | C5 | N3 | 178.6° | 179.9° |
N9 | C4 | N3 | C2 | 177.6° | 180.0° |
C8 | N7 | C5 | C6 | 177.3° | 179.9° |
C8 | N7 | C5 | C4 | 1.9° | 0.0° |
H8 | C8 | N7 | C5 | 178.8° | 180.0° |
N7 | C5 | C6 | C4 | 175.2° | 179.9° |
N7 | C5 | C6 | O6 | 2.8° | 0.0° |
N7 | C5 | C6 | N1 | 176.1° | 179.7° |
N7 | C5 | C4 | N3 | 176.8° | 180.0° |
C5 | C6 | O6 | N1 | 178.9° | 179.7° |
C5 | C6 | N1 | C2 | 1.4° | 0.6° |
C5 | C6 | N1 | HN1 | 178.6° | 179.9° |
C6 | C5 | C4 | N3 | 0.7° | 0.0° |
C4 | C5 | C6 | O6 | 178.0° | 180.0° |
C4 | C5 | C6 | N1 | 0.9° | 0.2° |
C5 | C4 | N3 | C2 | 0.8° | 0.0° |
O6 | C6 | N1 | C2 | 177.7° | 179.7° |
O6 | C6 | N1 | HN1 | 2.3° | 0.4° |
C6 | N1 | C2 | HN1 | 180.0° | 179.3° |
C6 | N1 | C2 | N2 | 177.5° | 179.7° |
C6 | N1 | C2 | N3 | 1.7° | 0.6° |
N1 | C2 | N2 | N3 | 179.3° | 179.7° |
N1 | C2 | N2 | HN21 | 180.0° | 179.7° |
N1 | C2 | N2 | HN22 | 54.7° | 0.6° |
N1 | C2 | N3 | C4 | 1.3° | 0.4° |
HN1 | N1 | C2 | N2 | 2.4° | 0.4° |
HN1 | N1 | C2 | N3 | 178.3° | 180.0° |
C2 | N2 | HN21 | HN22 | 125.3° | 179.7° |
N2 | C2 | N3 | C4 | 177.9° | 180.0° |
N3 | C2 | N2 | HN21 | 0.7° | 0.0° |
N3 | C2 | N2 | HN22 | 126.0° | 179.7° |