SOL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | sing | 1.43Å | 1.43Å | |
C1 | C2 | sing | 1.51Å | 1.51Å | |
C2 | O2 | doub | 1.21Å | 1.23Å | |
C2 | C3 | sing | 1.51Å | 1.51Å | |
C3 | O3 | sing | 1.43Å | 1.44Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C5 | O5 | sing | 1.43Å | 1.44Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C6 | O6 | sing | 1.43Å | 1.43Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
O5 | HO5 | sing | 0.97Å | 0.95Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 111.4° | 109.5° |
O1 | C1 | H11 | 108.8° | 109.5° |
O1 | C1 | H12 | 108.9° | 109.5° |
C1 | O1 | HO1 | 109.5° | 114.0° |
C1 | C2 | O2 | 120.9° | 120.0° |
C1 | C2 | C3 | 117.3° | 120.0° |
C2 | C1 | H11 | 108.9° | 109.5° |
C2 | C1 | H12 | 108.8° | 109.5° |
O2 | C2 | C3 | 121.7° | 120.0° |
C2 | C3 | O3 | 110.0° | 109.5° |
C2 | C3 | C4 | 118.9° | 109.5° |
C2 | C3 | H3 | 101.1° | 109.5° |
O3 | C3 | C4 | 104.9° | 109.5° |
O3 | C3 | H3 | 116.0° | 109.5° |
C3 | O3 | HO3 | 109.5° | 114.1° |
C3 | C4 | O4 | 107.6° | 109.5° |
C3 | C4 | C5 | 119.7° | 109.5° |
C4 | C3 | H3 | 106.5° | 109.5° |
C3 | C4 | H4 | 103.6° | 109.5° |
O4 | C4 | C5 | 109.3° | 109.5° |
O4 | C4 | H4 | 115.2° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C4 | C5 | O5 | 111.1° | 109.5° |
C4 | C5 | C6 | 109.7° | 109.5° |
C5 | C4 | H4 | 101.6° | 109.5° |
C4 | C5 | H5 | 108.0° | 109.5° |
O5 | C5 | C6 | 108.9° | 109.5° |
O5 | C5 | H5 | 108.9° | 109.5° |
C5 | O5 | HO5 | 109.5° | 114.1° |
C5 | C6 | O6 | 111.1° | 109.5° |
C6 | C5 | H5 | 110.3° | 109.4° |
C5 | C6 | H61 | 108.9° | 109.4° |
C5 | C6 | H62 | 108.9° | 109.5° |
O6 | C6 | H61 | 109.0° | 109.5° |
O6 | C6 | H62 | 108.9° | 109.5° |
C6 | O6 | HO6 | 109.5° | 114.0° |
H11 | C1 | H12 | 110.1° | 109.5° |
H61 | C6 | H62 | 110.0° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | H11 | 120.0° | 120.0° |
O1 | C1 | C2 | H12 | 120.0° | 120.0° |
O1 | C1 | C2 | O2 | 3.7° | 0.1° |
O1 | C1 | C2 | C3 | 178.9° | 180.0° |
O1 | C1 | H11 | H12 | 119.3° | 120.0° |
C1 | C2 | O2 | C3 | 177.2° | 179.9° |
C1 | C2 | C3 | O3 | 12.9° | 165.0° |
C1 | C2 | C3 | C4 | 108.0° | 75.0° |
C2 | C1 | H11 | H12 | 119.2° | 120.0° |
C2 | C1 | O1 | HO1 | 1.6° | 180.0° |
C1 | C2 | C3 | H3 | 136.0° | 45.0° |
O2 | C2 | C3 | O3 | 164.5° | 15.0° |
O2 | C2 | C3 | C4 | 74.6° | 105.0° |
O2 | C2 | C1 | H11 | 116.3° | 120.0° |
O2 | C2 | C1 | H12 | 123.8° | 120.0° |
O2 | C2 | C3 | H3 | 41.4° | 135.0° |
C2 | C3 | O3 | C4 | 128.9° | 120.0° |
C2 | C3 | O3 | H3 | 113.9° | 120.0° |
C2 | C3 | C4 | H3 | 113.1° | 120.0° |
C2 | C3 | C4 | O4 | 123.4° | 55.0° |
C2 | C3 | C4 | C5 | 2.0° | 175.0° |
C3 | C2 | C1 | H11 | 61.1° | 60.0° |
C3 | C2 | C1 | H12 | 58.9° | 60.0° |
C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
C2 | C3 | C4 | H4 | 114.1° | 65.0° |
O3 | C3 | C4 | H3 | 123.5° | 120.0° |
O3 | C3 | C4 | O4 | 113.2° | 65.0° |
O3 | C3 | C4 | C5 | 121.4° | 55.0° |
O3 | C3 | C4 | H4 | 9.3° | 175.0° |
C3 | C4 | O4 | C5 | 131.4° | 120.0° |
C3 | C4 | O4 | H4 | 115.0° | 120.0° |
C3 | C4 | C5 | H4 | 113.2° | 120.0° |
C3 | C4 | C5 | O5 | 118.9° | 55.0° |
C3 | C4 | C5 | C6 | 120.6° | 175.0° |
C4 | C3 | O3 | HO3 | 51.1° | 60.0° |
C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
C3 | C4 | C5 | H5 | 0.4° | 65.0° |
O4 | C4 | C5 | H4 | 122.2° | 120.0° |
O4 | C4 | C5 | O5 | 5.7° | 65.0° |
O4 | C4 | C5 | C6 | 114.8° | 55.0° |
O4 | C4 | C3 | H3 | 10.3° | 175.0° |
O4 | C4 | C5 | H5 | 125.0° | 175.0° |
C4 | C5 | O5 | C6 | 120.9° | 120.0° |
C4 | C5 | O5 | H5 | 118.8° | 120.0° |
C4 | C5 | C6 | H5 | 118.9° | 120.0° |
C4 | C5 | C6 | O6 | 65.0° | 175.0° |
C5 | C4 | C3 | H3 | 115.1° | 65.0° |
C5 | C4 | O4 | HO4 | 48.6° | 60.0° |
C4 | C5 | O5 | HO5 | 180.0° | 60.0° |
C4 | C5 | C6 | H61 | 55.0° | 65.0° |
C4 | C5 | C6 | H62 | 175.0° | 54.9° |
O5 | C5 | C6 | H5 | 119.4° | 120.0° |
O5 | C5 | C6 | O6 | 56.7° | 65.0° |
O5 | C5 | C4 | H4 | 127.9° | 175.0° |
O5 | C5 | C6 | H61 | 176.7° | 55.0° |
O5 | C5 | C6 | H62 | 63.3° | 174.9° |
C5 | C6 | O6 | H61 | 120.0° | 120.0° |
C5 | C6 | O6 | H62 | 120.0° | 120.1° |
C6 | C5 | C4 | H4 | 7.5° | 65.0° |
C6 | C5 | O5 | HO5 | 59.1° | 60.0° |
C5 | C6 | H61 | H62 | 119.3° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
O6 | C6 | C5 | H5 | 176.1° | 55.0° |
O6 | C6 | H61 | H62 | 119.4° | 120.0° |
H11 | C1 | O1 | HO1 | 118.4° | 60.0° |
H12 | C1 | O1 | HO1 | 121.6° | 60.0° |
H3 | C3 | O3 | HO3 | 66.1° | 180.0° |
H3 | C3 | C4 | H4 | 132.8° | 55.0° |
H4 | C4 | O4 | HO4 | 65.0° | 180.0° |
H4 | C4 | C5 | H5 | 112.8° | 55.0° |
H5 | C5 | O5 | HO5 | 61.2° | 180.0° |
H5 | C5 | C6 | H61 | 63.9° | 175.0° |
H5 | C5 | C6 | H62 | 56.1° | 65.0° |
H61 | C6 | O6 | HO6 | 60.0° | 60.0° |
H62 | C6 | O6 | HO6 | 60.0° | 59.9° |