FUD
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.51Å | 1.52Å | |
C1 | O1 | sing | 1.43Å | 1.42Å | |
C2 | C3 | sing | 1.51Å | 1.54Å | |
C2 | O2 | doub | 1.21Å | 1.23Å | |
C3 | C4 | sing | 1.53Å | 1.55Å | |
C3 | O3 | sing | 1.43Å | 1.41Å | |
C4 | C5 | sing | 1.53Å | 1.54Å | |
C4 | O4 | sing | 1.43Å | 1.42Å | |
C5 | C6 | sing | 1.53Å | 1.52Å | |
C5 | O5 | sing | 1.43Å | 1.42Å | |
C6 | O6 | sing | 1.43Å | 1.41Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | 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 | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O5 | HO5 | 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 | O1 | 109.5° | 109.4° |
C1 | C2 | C3 | 119.4° | 120.0° |
C1 | C2 | O2 | 120.0° | 120.0° |
C2 | C1 | H11 | 109.4° | 109.5° |
C2 | C1 | H12 | 109.4° | 109.5° |
O1 | C1 | H11 | 109.4° | 109.5° |
O1 | C1 | H12 | 109.4° | 109.4° |
C1 | O1 | HO1 | 109.5° | 114.0° |
C3 | C2 | O2 | 118.7° | 120.0° |
C2 | C3 | C4 | 115.5° | 109.5° |
C2 | C3 | O3 | 110.8° | 109.5° |
C2 | C3 | H3 | 105.0° | 109.5° |
C4 | C3 | O3 | 111.6° | 109.4° |
C3 | C4 | C5 | 112.5° | 109.5° |
C3 | C4 | O4 | 112.6° | 109.5° |
C4 | C3 | H3 | 104.0° | 109.5° |
C3 | C4 | H4 | 105.1° | 109.4° |
O3 | C3 | H3 | 109.3° | 109.4° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C5 | C4 | O4 | 109.4° | 109.5° |
C4 | C5 | C6 | 109.2° | 109.5° |
C4 | C5 | O5 | 110.6° | 109.5° |
C5 | C4 | H4 | 108.5° | 109.5° |
C4 | C5 | H5 | 108.9° | 109.4° |
O4 | C4 | H4 | 108.4° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C6 | C5 | O5 | 109.5° | 109.5° |
C5 | C6 | O6 | 110.1° | 109.5° |
C6 | C5 | H5 | 110.0° | 109.5° |
C5 | C6 | H61 | 109.3° | 109.5° |
C5 | C6 | H62 | 109.1° | 109.5° |
O5 | C5 | H5 | 108.6° | 109.5° |
C5 | O5 | HO5 | 109.5° | 114.0° |
O6 | C6 | H61 | 109.2° | 109.4° |
O6 | C6 | H62 | 109.1° | 109.5° |
C6 | O6 | HO6 | 109.5° | 114.1° |
H11 | C1 | H12 | 109.5° | 109.5° |
H61 | C6 | H62 | 110.0° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | H11 | 120.0° | 120.0° |
C2 | C1 | O1 | H12 | 120.0° | 119.9° |
C1 | C2 | C3 | O2 | 164.3° | 180.0° |
C1 | C2 | C3 | C4 | 22.8° | 75.0° |
C1 | C2 | C3 | O3 | 105.3° | 165.0° |
C2 | C1 | H11 | H12 | 120.0° | 120.0° |
C1 | C2 | C3 | H3 | 136.8° | 45.0° |
C2 | C1 | O1 | HO1 | 168.7° | 180.0° |
O1 | C1 | C2 | C3 | 151.3° | 180.0° |
O1 | C1 | C2 | O2 | 44.6° | 0.0° |
O1 | C1 | H11 | H12 | 120.0° | 120.0° |
C2 | C3 | C4 | O3 | 127.7° | 120.0° |
C2 | C3 | C4 | H3 | 114.5° | 120.1° |
C2 | C3 | O3 | H3 | 115.2° | 120.0° |
C2 | C3 | C4 | C5 | 144.9° | 175.0° |
C2 | C3 | C4 | O4 | 20.7° | 54.9° |
C3 | C2 | C1 | H11 | 31.3° | 60.0° |
C3 | C2 | C1 | H12 | 88.7° | 60.1° |
C2 | C3 | C4 | H4 | 97.2° | 65.0° |
C2 | C3 | O3 | HO3 | 83.7° | 60.0° |
O2 | C2 | C3 | C4 | 172.8° | 105.0° |
O2 | C2 | C3 | O3 | 59.0° | 15.0° |
O2 | C2 | C1 | H11 | 164.6° | 120.0° |
O2 | C2 | C1 | H12 | 75.4° | 120.0° |
O2 | C2 | C3 | H3 | 58.9° | 135.0° |
C4 | C3 | O3 | H3 | 114.6° | 120.0° |
C3 | C4 | C5 | O4 | 125.9° | 120.0° |
C3 | C4 | C5 | H4 | 115.9° | 119.9° |
C3 | C4 | O4 | H4 | 115.9° | 119.9° |
C3 | C4 | C5 | C6 | 162.0° | 180.0° |
C3 | C4 | C5 | O5 | 41.4° | 60.0° |
C3 | C4 | C5 | H5 | 77.8° | 60.0° |
C4 | C3 | O3 | HO3 | 146.1° | 60.0° |
C3 | C4 | O4 | HO4 | 158.6° | 60.0° |
O3 | C3 | C4 | C5 | 17.1° | 55.0° |
O3 | C3 | C4 | O4 | 107.1° | 65.1° |
O3 | C3 | C4 | H4 | 135.1° | 175.0° |
C5 | C4 | O4 | H4 | 118.2° | 120.0° |
C4 | C5 | C6 | O5 | 121.2° | 120.0° |
C4 | C5 | C6 | H5 | 119.5° | 119.9° |
C4 | C5 | O5 | H5 | 119.5° | 119.9° |
C4 | C5 | C6 | O6 | 165.5° | 175.0° |
C5 | C4 | C3 | H3 | 100.7° | 64.9° |
C4 | C5 | C6 | H61 | 45.5° | 54.9° |
C4 | C5 | C6 | H62 | 74.8° | 65.0° |
C5 | C4 | O4 | HO4 | 32.7° | 60.0° |
C4 | C5 | O5 | HO5 | 28.8° | 60.0° |
O4 | C4 | C5 | C6 | 72.1° | 60.0° |
O4 | C4 | C5 | O5 | 167.3° | 180.0° |
O4 | C4 | C3 | H3 | 135.1° | 175.0° |
O4 | C4 | C5 | H5 | 48.1° | 60.0° |
C6 | C5 | O5 | H5 | 120.1° | 120.0° |
C5 | C6 | O6 | H61 | 120.0° | 120.0° |
C5 | C6 | O6 | H62 | 119.7° | 120.0° |
C6 | C5 | C4 | H4 | 46.1° | 60.1° |
C5 | C6 | H61 | H62 | 119.8° | 120.0° |
C6 | C5 | O5 | HO5 | 149.1° | 60.0° |
C5 | C6 | O6 | HO6 | 71.7° | 180.0° |
O5 | C5 | C6 | O6 | 73.3° | 65.0° |
O5 | C5 | C4 | H4 | 74.5° | 60.0° |
O5 | C5 | C6 | H61 | 166.7° | 175.0° |
O5 | C5 | C6 | H62 | 46.5° | 55.0° |
O6 | C6 | C5 | H5 | 46.0° | 55.0° |
O6 | C6 | H61 | H62 | 119.7° | 120.0° |
H11 | C1 | O1 | HO1 | 48.7° | 60.0° |
H12 | C1 | O1 | HO1 | 71.4° | 60.0° |
H3 | C3 | C4 | H4 | 17.3° | 55.1° |
H3 | C3 | O3 | HO3 | 31.6° | 179.9° |
H4 | C4 | C5 | H5 | 166.3° | 180.0° |
H4 | C4 | O4 | HO4 | 85.5° | 180.0° |
H5 | C5 | C6 | H61 | 74.0° | 65.0° |
H5 | C5 | C6 | H62 | 165.7° | 175.1° |
H5 | C5 | O5 | HO5 | 90.7° | 180.0° |
H61 | C6 | O6 | HO6 | 168.3° | 60.0° |
H62 | C6 | O6 | HO6 | 48.1° | 59.9° |