ASO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | O5 | sing | 1.43Å | 1.42Å | |
C1 | H1 | sing | 1.09Å | 1.12Å | |
C1 | H12 | sing | 1.09Å | 1.11Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | O2 | sing | 1.43Å | 1.43Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
C3 | C4 | sing | 1.53Å | 1.51Å | |
C3 | O3 | sing | 1.43Å | 1.44Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
C4 | C5 | sing | 1.53Å | 1.52Å | |
C4 | O4 | sing | 1.43Å | 1.40Å | |
C4 | H4 | sing | 1.09Å | 1.12Å | |
C5 | C6 | sing | 1.53Å | 1.51Å | |
C5 | O5 | sing | 1.43Å | 1.44Å | |
C5 | H5 | sing | 1.09Å | 1.11Å | |
C6 | O6 | sing | 1.43Å | 1.41Å | |
C6 | H61 | sing | 1.09Å | 1.12Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O5 | 109.6° | 109.8° |
C2 | C1 | H1 | 112.2° | 109.4° |
C2 | C1 | H12 | 112.2° | 109.4° |
C1 | C2 | C3 | 110.7° | 109.0° |
C1 | C2 | O2 | 109.8° | 109.6° |
C1 | C2 | H2 | 108.4° | 109.5° |
O5 | C1 | H1 | 112.1° | 109.4° |
O5 | C1 | H12 | 112.1° | 109.5° |
C1 | O5 | C5 | 117.2° | 107.7° |
H1 | C1 | H12 | 98.3° | 109.3° |
C3 | C2 | O2 | 109.4° | 109.6° |
C3 | C2 | H2 | 108.8° | 109.5° |
C2 | C3 | C4 | 108.9° | 108.6° |
C2 | C3 | O3 | 110.0° | 109.6° |
C2 | C3 | H3 | 108.2° | 109.6° |
O2 | C2 | H2 | 109.7° | 109.6° |
C2 | O2 | HO2 | 109.8° | 106.8° |
C4 | C3 | O3 | 105.3° | 109.8° |
C4 | C3 | H3 | 112.7° | 109.6° |
C3 | C4 | C5 | 115.4° | 109.1° |
C3 | C4 | O4 | 117.0° | 109.6° |
C3 | C4 | H4 | 100.1° | 109.6° |
O3 | C3 | H3 | 111.6° | 109.6° |
C3 | O3 | HO3 | 110.0° | 106.9° |
C5 | C4 | O4 | 113.1° | 109.5° |
C5 | C4 | H4 | 105.5° | 109.6° |
C4 | C5 | C6 | 116.9° | 109.5° |
C4 | C5 | O5 | 110.6° | 109.7° |
C4 | C5 | H5 | 99.2° | 109.4° |
O4 | C4 | H4 | 103.3° | 109.5° |
C4 | O4 | HO4 | 117.0° | 106.8° |
C6 | C5 | O5 | 86.7° | 109.4° |
C6 | C5 | H5 | 119.5° | 109.4° |
C5 | C6 | O6 | 114.9° | 109.6° |
C5 | C6 | H61 | 110.3° | 109.4° |
C5 | C6 | H62 | 110.3° | 109.5° |
O5 | C5 | H5 | 125.1° | 109.4° |
O6 | C6 | H61 | 110.2° | 109.4° |
O6 | C6 | H62 | 110.2° | 109.5° |
C6 | O6 | HO6 | 114.9° | 106.9° |
H61 | C6 | H62 | 100.0° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O5 | H1 | 125.2° | 120.1° |
C2 | C1 | O5 | H12 | 125.3° | 120.2° |
C2 | C1 | H1 | H12 | 118.1° | 119.8° |
C1 | C2 | C3 | O2 | 121.1° | 120.0° |
C1 | C2 | C3 | H2 | 119.0° | 119.8° |
C1 | C2 | O2 | H2 | 119.0° | 120.2° |
C1 | C2 | C3 | C4 | 53.7° | 53.7° |
C1 | C2 | C3 | O3 | 168.7° | 173.6° |
C1 | C2 | C3 | H3 | 69.1° | 66.1° |
C2 | C1 | O5 | C5 | 57.1° | 67.5° |
C1 | C2 | O2 | HO2 | 180.0° | 59.9° |
O5 | C1 | H1 | H12 | 118.1° | 119.8° |
O5 | C1 | C2 | C3 | 56.9° | 61.2° |
O5 | C1 | C2 | O2 | 177.8° | 178.8° |
O5 | C1 | C2 | H2 | 62.4° | 58.6° |
C1 | O5 | C5 | C4 | 51.6° | 67.5° |
C1 | O5 | C5 | C6 | 169.2° | 172.3° |
C1 | O5 | C5 | H5 | 66.6° | 52.4° |
H1 | C1 | C2 | C3 | 177.9° | 58.9° |
H1 | C1 | C2 | O2 | 57.0° | 61.1° |
H1 | C1 | C2 | H2 | 62.8° | 178.6° |
H1 | C1 | O5 | C5 | 177.6° | 52.5° |
H12 | C1 | C2 | C3 | 68.4° | 178.6° |
H12 | C1 | C2 | O2 | 52.5° | 58.6° |
H12 | C1 | C2 | H2 | 172.3° | 61.6° |
H12 | C1 | O5 | C5 | 68.2° | 172.3° |
C3 | C2 | O2 | H2 | 119.3° | 120.2° |
C2 | C3 | C4 | O3 | 118.0° | 119.8° |
C2 | C3 | C4 | H3 | 120.1° | 119.7° |
C2 | C3 | O3 | H3 | 120.2° | 120.3° |
C2 | C3 | C4 | C5 | 50.2° | 53.8° |
C2 | C3 | C4 | O4 | 173.0° | 173.7° |
C2 | C3 | C4 | H4 | 62.4° | 66.2° |
C3 | C2 | O2 | HO2 | 58.4° | 179.6° |
C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
O2 | C2 | C3 | C4 | 174.8° | 173.7° |
O2 | C2 | C3 | O3 | 70.2° | 66.4° |
O2 | C2 | C3 | H3 | 52.0° | 53.9° |
H2 | C2 | C3 | C4 | 65.3° | 66.1° |
H2 | C2 | C3 | O3 | 49.7° | 53.8° |
H2 | C2 | C3 | H3 | 171.9° | 174.2° |
H2 | C2 | O2 | HO2 | 61.0° | 60.2° |
C4 | C3 | O3 | H3 | 122.6° | 120.4° |
C3 | C4 | C5 | O4 | 138.4° | 119.9° |
C3 | C4 | C5 | H4 | 109.4° | 119.9° |
C3 | C4 | O4 | H4 | 108.8° | 120.2° |
C3 | C4 | C5 | C6 | 144.5° | 178.6° |
C3 | C4 | C5 | O5 | 47.6° | 61.3° |
C3 | C4 | C5 | H5 | 85.5° | 58.7° |
C4 | C3 | O3 | HO3 | 62.7° | 179.2° |
C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
O3 | C3 | C4 | C5 | 168.2° | 173.6° |
O3 | C3 | C4 | O4 | 55.0° | 66.5° |
O3 | C3 | C4 | H4 | 55.6° | 53.7° |
H3 | C3 | C4 | C5 | 69.9° | 65.9° |
H3 | C3 | C4 | O4 | 66.9° | 53.9° |
H3 | C3 | C4 | H4 | 177.6° | 174.1° |
H3 | C3 | O3 | HO3 | 59.9° | 60.4° |
C5 | C4 | O4 | H4 | 113.5° | 120.2° |
C4 | C5 | C6 | O5 | 111.4° | 120.3° |
C4 | C5 | C6 | H5 | 119.6° | 119.9° |
C4 | C5 | O5 | H5 | 118.2° | 120.0° |
C4 | C5 | C6 | O6 | 26.3° | 179.9° |
C4 | C5 | C6 | H61 | 99.0° | 60.1° |
C4 | C5 | C6 | H62 | 151.5° | 59.8° |
C5 | C4 | O4 | HO4 | 42.3° | 179.6° |
O4 | C4 | C5 | C6 | 77.0° | 58.7° |
O4 | C4 | C5 | O5 | 174.0° | 178.8° |
O4 | C4 | C5 | H5 | 52.9° | 61.2° |
H4 | C4 | C5 | C6 | 35.2° | 61.5° |
H4 | C4 | C5 | O5 | 61.8° | 58.6° |
H4 | C4 | C5 | H5 | 165.1° | 178.6° |
H4 | C4 | O4 | HO4 | 71.2° | 60.2° |
C6 | C5 | O5 | H5 | 124.2° | 119.8° |
C5 | C6 | O6 | H61 | 125.3° | 120.0° |
C5 | C6 | O6 | H62 | 125.3° | 120.1° |
C5 | C6 | H61 | H62 | 116.1° | 119.9° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
O5 | C5 | C6 | O6 | 137.7° | 59.8° |
O5 | C5 | C6 | H61 | 12.4° | 60.2° |
O5 | C5 | C6 | H62 | 97.1° | 179.9° |
H5 | C5 | C6 | O6 | 93.3° | 60.0° |
H5 | C5 | C6 | H61 | 141.4° | 180.0° |
H5 | C5 | C6 | H62 | 32.0° | 60.1° |
O6 | C6 | H61 | H62 | 116.0° | 120.0° |
H61 | C6 | O6 | HO6 | 54.7° | 60.0° |
H62 | C6 | O6 | HO6 | 54.7° | 59.9° |