AAL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.55Å | |
C1 | O1 | sing | 1.43Å | 1.42Å | |
C1 | O5 | sing | 1.43Å | 1.45Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | C3 | sing | 1.54Å | 1.54Å | |
C2 | O2 | sing | 1.43Å | 1.43Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | C4 | sing | 1.55Å | 1.49Å | |
C3 | O3 | sing | 1.44Å | 1.45Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | C5 | sing | 1.56Å | 1.49Å | |
C4 | O4 | sing | 1.43Å | 1.47Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | C6 | sing | 1.55Å | 1.54Å | |
C5 | O5 | sing | 1.44Å | 1.44Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | O3 | sing | 1.43Å | 1.46Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 111.7° | 109.3° |
C2 | C1 | O5 | 112.6° | 110.5° |
C2 | C1 | H1 | 105.1° | 109.3° |
C1 | C2 | C3 | 111.6° | 108.7° |
C1 | C2 | O2 | 111.5° | 109.6° |
C1 | C2 | H2 | 106.3° | 109.6° |
O1 | C1 | O5 | 107.4° | 109.3° |
O1 | C1 | H1 | 110.5° | 109.3° |
C1 | O1 | HO1 | 109.5° | 114.0° |
O5 | C1 | H1 | 109.6° | 109.1° |
C1 | O5 | C5 | 112.5° | 113.2° |
C3 | C2 | O2 | 108.4° | 109.6° |
C3 | C2 | H2 | 109.5° | 109.6° |
C2 | C3 | C4 | 114.7° | 106.1° |
C2 | C3 | O3 | 108.2° | 107.0° |
C2 | C3 | H3 | 104.2° | 112.6° |
O2 | C2 | H2 | 109.6° | 109.8° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C4 | C3 | O3 | 99.8° | 104.3° |
C4 | C3 | H3 | 112.1° | 112.8° |
C3 | C4 | C5 | 99.4° | 99.3° |
C3 | C4 | O4 | 136.5° | 111.4° |
C3 | C4 | H4 | 98.9° | 111.5° |
O3 | C3 | H3 | 118.2° | 113.4° |
C3 | O3 | C6 | 107.1° | 109.3° |
C5 | C4 | O4 | 110.5° | 111.4° |
C5 | C4 | H4 | 132.3° | 111.4° |
C4 | C5 | C6 | 97.6° | 101.6° |
C4 | C5 | O5 | 114.4° | 105.9° |
C4 | C5 | H5 | 115.9° | 113.7° |
O4 | C4 | H4 | 84.0° | 111.2° |
C4 | O4 | HO4 | 109.5° | 114.1° |
C6 | C5 | O5 | 114.3° | 106.8° |
C6 | C5 | H5 | 115.9° | 113.6° |
C5 | C6 | O3 | 104.5° | 107.2° |
C5 | C6 | H61 | 111.2° | 109.9° |
C5 | C6 | H62 | 111.1° | 109.9° |
O5 | C5 | H5 | 99.7° | 114.2° |
O3 | C6 | H61 | 111.1° | 109.9° |
O3 | C6 | H62 | 111.1° | 109.9° |
H61 | C6 | H62 | 107.8° | 110.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O5 | 123.9° | 121.0° |
C2 | C1 | O1 | H1 | 116.6° | 119.6° |
C2 | C1 | O5 | H1 | 116.6° | 120.2° |
C1 | C2 | C3 | O2 | 123.2° | 119.7° |
C1 | C2 | C3 | H2 | 117.4° | 119.8° |
C1 | C2 | O2 | H2 | 117.4° | 120.4° |
C1 | C2 | C3 | C4 | 50.3° | 62.8° |
C1 | C2 | C3 | O3 | 60.1° | 48.1° |
C1 | C2 | C3 | H3 | 173.3° | 173.3° |
C2 | C1 | O5 | C5 | 43.8° | 55.8° |
C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
O1 | C1 | O5 | H1 | 120.1° | 119.5° |
O1 | C1 | C2 | C3 | 158.2° | 172.1° |
O1 | C1 | C2 | O2 | 36.8° | 52.4° |
O1 | C1 | C2 | H2 | 82.5° | 68.1° |
O1 | C1 | O5 | C5 | 167.1° | 176.1° |
O5 | C1 | C2 | C3 | 37.2° | 51.8° |
O5 | C1 | C2 | O2 | 84.1° | 67.9° |
O5 | C1 | C2 | H2 | 156.5° | 171.6° |
C1 | O5 | C5 | C4 | 64.6° | 68.2° |
C1 | O5 | C5 | C6 | 46.7° | 39.5° |
C1 | O5 | C5 | H5 | 171.1° | 166.0° |
O5 | C1 | O1 | HO1 | 56.1° | 58.9° |
H1 | C1 | C2 | C3 | 82.0° | 68.3° |
H1 | C1 | C2 | O2 | 156.7° | 172.0° |
H1 | C1 | C2 | H2 | 37.3° | 51.5° |
H1 | C1 | O5 | C5 | 72.8° | 64.4° |
H1 | C1 | O1 | HO1 | 63.4° | 60.4° |
C3 | C2 | O2 | H2 | 119.4° | 120.4° |
C2 | C3 | C4 | O3 | 115.4° | 112.8° |
C2 | C3 | C4 | H3 | 118.6° | 123.7° |
C2 | C3 | O3 | H3 | 118.0° | 124.8° |
C2 | C3 | C4 | C5 | 61.7° | 71.5° |
C2 | C3 | C4 | O4 | 164.7° | 171.0° |
C2 | C3 | C4 | H4 | 74.1° | 46.1° |
C2 | C3 | O3 | C6 | 87.0° | 84.0° |
C3 | C2 | O2 | HO2 | 56.8° | 179.2° |
O2 | C2 | C3 | C4 | 72.8° | 56.9° |
O2 | C2 | C3 | O3 | 176.8° | 167.8° |
O2 | C2 | C3 | H3 | 50.1° | 67.0° |
H2 | C2 | C3 | C4 | 167.7° | 177.4° |
H2 | C2 | C3 | O3 | 57.3° | 71.7° |
H2 | C2 | C3 | H3 | 69.4° | 53.5° |
H2 | C2 | O2 | HO2 | 62.6° | 60.4° |
C4 | C3 | O3 | H3 | 121.7° | 123.1° |
C3 | C4 | C5 | O4 | 147.8° | 117.5° |
C3 | C4 | C5 | H4 | 111.3° | 117.6° |
C3 | C4 | O4 | H4 | 96.6° | 125.1° |
C3 | C4 | C5 | C6 | 51.6° | 38.4° |
C3 | C4 | C5 | O5 | 69.5° | 73.1° |
C3 | C4 | C5 | H5 | 175.3° | 160.8° |
C4 | C3 | O3 | C6 | 33.2° | 28.1° |
C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
O3 | C3 | C4 | C5 | 53.7° | 41.3° |
O3 | C3 | C4 | O4 | 79.9° | 76.2° |
O3 | C3 | C4 | H4 | 170.5° | 158.9° |
C3 | O3 | C6 | C5 | 1.0° | 2.5° |
C3 | O3 | C6 | H61 | 121.0° | 121.9° |
C3 | O3 | C6 | H62 | 119.0° | 116.9° |
H3 | C3 | C4 | C5 | 179.8° | 164.8° |
H3 | C3 | C4 | O4 | 46.1° | 47.3° |
H3 | C3 | C4 | H4 | 44.5° | 77.7° |
H3 | C3 | O3 | C6 | 155.0° | 151.2° |
C5 | C4 | O4 | H4 | 133.1° | 125.0° |
C4 | C5 | C6 | O5 | 121.1° | 110.7° |
C4 | C5 | C6 | H5 | 123.7° | 122.5° |
C4 | C5 | O5 | H5 | 124.3° | 125.8° |
C4 | C5 | C6 | O3 | 31.4° | 23.7° |
C4 | C5 | C6 | H61 | 88.6° | 95.6° |
C4 | C5 | C6 | H62 | 151.4° | 143.1° |
C5 | C4 | O4 | HO4 | 49.7° | 70.0° |
O4 | C4 | C5 | C6 | 96.2° | 79.2° |
O4 | C4 | C5 | O5 | 142.7° | 169.4° |
O4 | C4 | C5 | H5 | 27.5° | 43.2° |
H4 | C4 | C5 | C6 | 162.9° | 155.9° |
H4 | C4 | C5 | O5 | 41.8° | 44.5° |
H4 | C4 | C5 | H5 | 73.4° | 81.6° |
H4 | C4 | O4 | HO4 | 83.4° | 55.0° |
C6 | C5 | O5 | H5 | 124.3° | 126.4° |
C5 | C6 | O3 | H61 | 120.0° | 119.4° |
C5 | C6 | O3 | H62 | 120.0° | 119.4° |
C5 | C6 | H61 | H62 | 122.0° | 121.2° |
O5 | C5 | C6 | O3 | 89.7° | 87.0° |
O5 | C5 | C6 | H61 | 150.3° | 153.6° |
O5 | C5 | C6 | H62 | 30.3° | 32.4° |
H5 | C5 | C6 | O3 | 155.1° | 146.2° |
H5 | C5 | C6 | H61 | 35.1° | 26.8° |
H5 | C5 | C6 | H62 | 84.9° | 94.4° |
O3 | C6 | H61 | H62 | 122.0° | 121.1° |