MAW
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C1 | sing | 1.43Å | 1.39Å | |
C1 | C2 | sing | 1.53Å | 1.55Å | |
C1 | O5 | sing | 1.43Å | 1.46Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | O2 | sing | 1.43Å | 1.42Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C3 | C4 | sing | 1.50Å | 1.49Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | C5 | doub | 1.32Å | 1.43Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C5 | O5 | sing | 1.36Å | 1.44Å | |
C5 | C6 | sing | 1.47Å | 1.44Å | |
C6 | O6A | doub | 1.22Å | 1.25Å | |
C6 | O6B | sing | 1.35Å | 1.25Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
O6B | HO6B | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 109.3° | 109.7° |
O1 | C1 | O5 | 108.4° | 109.7° |
O1 | C1 | H1 | 110.3° | 109.7° |
C1 | O1 | HO1 | 109.5° | 114.0° |
C2 | C1 | O5 | 111.6° | 108.4° |
C2 | C1 | H1 | 108.1° | 109.7° |
C1 | C2 | O2 | 109.7° | 109.7° |
C1 | C2 | C3 | 106.8° | 108.2° |
C1 | C2 | H2 | 109.3° | 109.8° |
O5 | C1 | H1 | 109.3° | 109.7° |
C1 | O5 | C5 | 113.8° | 117.5° |
O2 | C2 | C3 | 110.2° | 109.7° |
O2 | C2 | H2 | 111.1° | 109.7° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C3 | C2 | H2 | 109.7° | 109.7° |
C2 | C3 | O3 | 116.8° | 109.5° |
C2 | C3 | C4 | 118.8° | 109.5° |
C2 | C3 | H3 | 98.1° | 109.5° |
O3 | C3 | C4 | 118.2° | 109.5° |
O3 | C3 | H3 | 98.6° | 109.5° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C4 | C3 | H3 | 98.2° | 109.5° |
C3 | C4 | C5 | 117.3° | 122.2° |
C3 | C4 | H4 | 121.4° | 118.9° |
C5 | C4 | H4 | 121.3° | 118.9° |
C4 | C5 | O5 | 115.2° | 123.1° |
C4 | C5 | C6 | 117.7° | 118.4° |
O5 | C5 | C6 | 116.5° | 118.5° |
C5 | C6 | O6A | 118.8° | 120.0° |
C5 | C6 | O6B | 118.6° | 120.0° |
O6A | C6 | O6B | 122.6° | 120.0° |
C6 | O6B | HO6B | 109.5° | 117.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | O5 | 119.8° | 119.7° |
O1 | C1 | C2 | H1 | 120.0° | 120.5° |
O1 | C1 | O5 | H1 | 120.2° | 120.5° |
O1 | C1 | C2 | O2 | 55.0° | 63.0° |
O1 | C1 | C2 | C3 | 174.3° | 177.3° |
O1 | C1 | C2 | H2 | 67.0° | 57.6° |
O1 | C1 | O5 | C5 | 178.3° | 167.6° |
C2 | C1 | O5 | H1 | 119.5° | 119.8° |
C1 | C2 | O2 | C3 | 117.3° | 118.7° |
C1 | C2 | O2 | H2 | 120.9° | 120.7° |
C1 | C2 | C3 | H2 | 118.4° | 119.8° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
C1 | C2 | C3 | O3 | 167.9° | 167.1° |
C1 | C2 | C3 | C4 | 40.2° | 47.1° |
C1 | C2 | C3 | H3 | 63.9° | 72.9° |
C2 | C1 | O5 | C5 | 61.3° | 47.9° |
C2 | C1 | O1 | HO1 | 180.0° | 179.9° |
O5 | C1 | C2 | O2 | 64.9° | 56.7° |
O5 | C1 | C2 | C3 | 54.5° | 63.0° |
O5 | C1 | C2 | H2 | 173.1° | 177.3° |
C1 | O5 | C5 | C4 | 48.5° | 16.7° |
C1 | O5 | C5 | C6 | 167.4° | 163.4° |
O5 | C1 | O1 | HO1 | 58.2° | 61.2° |
H1 | C1 | C2 | O2 | 175.0° | 176.5° |
H1 | C1 | C2 | C3 | 65.7° | 56.8° |
H1 | C1 | C2 | H2 | 53.0° | 62.9° |
H1 | C1 | O5 | C5 | 58.1° | 71.9° |
H1 | C1 | O1 | HO1 | 61.3° | 59.4° |
O2 | C2 | C3 | H2 | 122.6° | 120.6° |
O2 | C2 | C3 | O3 | 73.1° | 47.5° |
O2 | C2 | C3 | C4 | 78.9° | 72.5° |
O2 | C2 | C3 | H3 | 177.0° | 167.5° |
C3 | C2 | O2 | HO2 | 62.7° | 178.8° |
C2 | C3 | O3 | C4 | 152.1° | 120.0° |
C2 | C3 | O3 | H3 | 103.7° | 120.0° |
C2 | C3 | C4 | H3 | 104.0° | 120.0° |
C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
C2 | C3 | C4 | C5 | 30.7° | 17.5° |
C2 | C3 | C4 | H4 | 149.2° | 162.5° |
H2 | C2 | O2 | HO2 | 59.1° | 60.6° |
H2 | C2 | C3 | O3 | 49.5° | 73.1° |
H2 | C2 | C3 | C4 | 158.5° | 166.9° |
H2 | C2 | C3 | H3 | 54.5° | 46.9° |
O3 | C3 | C4 | H3 | 104.5° | 120.0° |
O3 | C3 | C4 | C5 | 177.7° | 137.5° |
O3 | C3 | C4 | H4 | 2.3° | 42.5° |
C4 | C3 | O3 | HO3 | 27.9° | 60.0° |
C3 | C4 | C5 | H4 | 180.0° | 180.0° |
C3 | C4 | C5 | O5 | 32.3° | 0.4° |
C3 | C4 | C5 | C6 | 175.9° | 179.6° |
H3 | C3 | O3 | HO3 | 76.3° | 60.0° |
H3 | C3 | C4 | C5 | 73.3° | 102.5° |
H3 | C3 | C4 | H4 | 106.8° | 77.5° |
C4 | C5 | O5 | C6 | 144.1° | 180.0° |
C4 | C5 | C6 | O6A | 9.9° | 0.0° |
C4 | C5 | C6 | O6B | 170.5° | 180.0° |
H4 | C4 | C5 | O5 | 147.7° | 179.6° |
H4 | C4 | C5 | C6 | 4.1° | 0.3° |
O5 | C5 | C6 | O6A | 153.1° | 179.9° |
O5 | C5 | C6 | O6B | 27.3° | 0.0° |
C5 | C6 | O6A | O6B | 179.6° | 179.9° |
C5 | C6 | O6B | HO6B | 179.6° | 180.0° |
O6A | C6 | O6B | HO6B | 0.0° | 0.1° |