8S0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C1 | doub | 1.21Å | 1.23Å | |
C1 | O5 | sing | 1.35Å | 1.36Å | |
C1 | C2 | sing | 1.51Å | 1.44Å | |
O2 | C2 | sing | 1.43Å | 1.45Å | |
O5 | C5 | sing | 1.45Å | 1.47Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
O6 | C6 | sing | 1.43Å | 1.41Å | |
C5 | C6 | sing | 1.53Å | 1.51Å | |
C5 | C4 | sing | 1.53Å | 1.49Å | |
C3 | C4 | sing | 1.53Å | 1.50Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C4 | O4 | sing | 1.43Å | 1.46Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
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) |
O1 | C1 | O5 | 120.3° | 121.0° |
O1 | C1 | C2 | 121.1° | 120.9° |
O5 | C1 | C2 | 118.1° | 118.1° |
C1 | O5 | C5 | 119.9° | 115.7° |
C1 | C2 | O2 | 112.8° | 109.7° |
C1 | C2 | C3 | 114.1° | 108.4° |
C1 | C2 | H2 | 108.1° | 109.6° |
O2 | C2 | C3 | 106.6° | 109.7° |
O2 | C2 | H2 | 107.9° | 109.7° |
C2 | O2 | HO2 | 109.5° | 114.0° |
O5 | C5 | C6 | 101.9° | 109.5° |
O5 | C5 | C4 | 113.0° | 109.1° |
O5 | C5 | H5 | 111.0° | 109.6° |
C2 | C3 | C4 | 109.2° | 109.0° |
C2 | C3 | O3 | 107.3° | 109.5° |
C3 | C2 | H2 | 107.1° | 109.7° |
C2 | C3 | H3 | 109.8° | 109.6° |
O6 | C6 | C5 | 106.3° | 109.4° |
O6 | C6 | H61 | 110.3° | 109.5° |
O6 | C6 | H62 | 110.3° | 109.5° |
C6 | O6 | HO6 | 109.5° | 114.0° |
C6 | C5 | C4 | 109.2° | 109.5° |
C6 | C5 | H5 | 110.6° | 109.5° |
C5 | C6 | H61 | 110.3° | 109.5° |
C5 | C6 | H62 | 110.2° | 109.4° |
C5 | C4 | C3 | 108.1° | 109.3° |
C5 | C4 | O4 | 110.5° | 109.5° |
C5 | C4 | H4 | 108.8° | 109.5° |
C4 | C5 | H5 | 110.8° | 109.5° |
C4 | C3 | O3 | 109.1° | 109.5° |
C3 | C4 | O4 | 111.6° | 109.4° |
C4 | C3 | H3 | 110.1° | 109.6° |
C3 | C4 | H4 | 108.6° | 109.5° |
O3 | C3 | H3 | 111.3° | 109.6° |
C3 | O3 | HO3 | 109.5° | 114.0° |
O4 | C4 | H4 | 109.2° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.0° |
H61 | C6 | H62 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | O5 | C2 | 172.3° | 179.8° |
O1 | C1 | C2 | O2 | 29.9° | 11.1° |
O1 | C1 | O5 | C5 | 157.8° | 129.5° |
O1 | C1 | C2 | C3 | 151.7° | 130.9° |
O1 | C1 | C2 | H2 | 89.3° | 109.4° |
O5 | C1 | C2 | O2 | 157.8° | 169.1° |
O5 | C1 | C2 | C3 | 36.0° | 49.3° |
C1 | O5 | C5 | C6 | 156.3° | 173.1° |
C1 | O5 | C5 | C4 | 39.3° | 53.2° |
O5 | C1 | C2 | H2 | 82.9° | 70.4° |
C1 | O5 | C5 | H5 | 85.9° | 66.7° |
C1 | C2 | O2 | C3 | 125.9° | 118.9° |
C1 | C2 | O2 | H2 | 119.3° | 120.5° |
C2 | C1 | O5 | C5 | 29.9° | 50.7° |
C1 | C2 | C3 | H2 | 119.5° | 119.7° |
C1 | C2 | C3 | C4 | 51.5° | 52.6° |
C1 | C2 | C3 | O3 | 169.6° | 172.4° |
C1 | C2 | C3 | H3 | 69.3° | 67.3° |
C1 | C2 | O2 | HO2 | 13.0° | 60.0° |
O2 | C2 | C3 | H2 | 115.3° | 120.6° |
O2 | C2 | C3 | C4 | 176.6° | 172.4° |
O2 | C2 | C3 | O3 | 65.2° | 67.8° |
O2 | C2 | C3 | H3 | 55.8° | 52.5° |
O5 | C5 | C6 | O6 | 78.7° | 65.4° |
O5 | C5 | C6 | C4 | 119.7° | 119.6° |
O5 | C5 | C6 | H5 | 118.1° | 120.3° |
O5 | C5 | C4 | H5 | 125.3° | 120.0° |
O5 | C5 | C4 | C3 | 53.5° | 58.0° |
O5 | C5 | C4 | O4 | 175.9° | 177.9° |
O5 | C5 | C4 | H4 | 64.3° | 62.0° |
O5 | C5 | C6 | H61 | 161.8° | 54.7° |
O5 | C5 | C6 | H62 | 40.8° | 174.7° |
C2 | C3 | C4 | C5 | 59.7° | 60.0° |
C2 | C3 | C4 | O3 | 117.0° | 119.8° |
C2 | C3 | C4 | H3 | 120.6° | 119.9° |
C2 | C3 | O3 | H3 | 120.1° | 120.2° |
C2 | C3 | C4 | O4 | 178.6° | 179.9° |
C2 | C3 | C4 | H4 | 58.3° | 60.0° |
C3 | C2 | O2 | HO2 | 139.0° | 178.9° |
C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
O6 | C6 | C5 | H61 | 119.5° | 120.0° |
O6 | C6 | C5 | H62 | 119.5° | 120.0° |
O6 | C6 | C5 | C4 | 161.6° | 175.0° |
O6 | C6 | C5 | H5 | 39.5° | 54.9° |
O6 | C6 | H61 | H62 | 121.5° | 120.0° |
C6 | C5 | C4 | H5 | 122.0° | 120.1° |
C6 | C5 | C4 | C3 | 166.2° | 177.9° |
C6 | C5 | C4 | O4 | 71.4° | 62.2° |
C6 | C5 | C4 | H4 | 48.4° | 57.9° |
C5 | C6 | H61 | H62 | 121.5° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
C5 | C4 | C3 | O4 | 121.7° | 119.9° |
C5 | C4 | C3 | H4 | 117.9° | 120.0° |
C5 | C4 | C3 | O3 | 176.6° | 179.8° |
C5 | C4 | O4 | H4 | 119.6° | 120.1° |
C5 | C4 | C3 | H3 | 61.0° | 59.9° |
C4 | C5 | C6 | H61 | 42.1° | 65.0° |
C4 | C5 | C6 | H62 | 78.9° | 55.0° |
C5 | C4 | O4 | HO4 | 180.0° | 179.9° |
C4 | C3 | O3 | H3 | 121.7° | 120.3° |
C3 | C4 | O4 | H4 | 120.1° | 120.1° |
C4 | C3 | C2 | H2 | 68.0° | 67.0° |
C3 | C4 | C5 | H5 | 71.8° | 62.0° |
C4 | C3 | O3 | HO3 | 61.9° | 179.4° |
C3 | C4 | O4 | HO4 | 59.7° | 60.1° |
O3 | C3 | C4 | O4 | 61.7° | 60.3° |
O3 | C3 | C2 | H2 | 50.1° | 52.8° |
O3 | C3 | C4 | H4 | 58.7° | 59.8° |
O4 | C4 | C3 | H3 | 60.7° | 60.0° |
O4 | C4 | C5 | H5 | 50.6° | 57.9° |
H2 | C2 | C3 | H3 | 171.2° | 173.1° |
H2 | C2 | O2 | HO2 | 106.3° | 60.5° |
H3 | C3 | C4 | H4 | 178.9° | 179.9° |
H3 | C3 | O3 | HO3 | 59.8° | 60.3° |
H4 | C4 | C5 | H5 | 170.4° | 178.0° |
H4 | C4 | O4 | HO4 | 60.4° | 60.0° |
H5 | C5 | C6 | H61 | 80.0° | 174.9° |
H5 | C5 | C6 | H62 | 158.9° | 65.1° |
H61 | C6 | O6 | HO6 | 60.5° | 59.9° |
H62 | C6 | O6 | HO6 | 60.5° | 60.1° |