VKN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C7 | sing | 1.53Å | 1.53Å | |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C7 | O5 | sing | 1.43Å | 1.43Å | |
C7 | C5 | sing | 1.53Å | 1.53Å | |
C2 | O2 | sing | 1.43Å | 1.44Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C5 | C4 | sing | 1.53Å | 1.52Å | |
C6 | O6 | sing | 1.43Å | 1.43Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C4 | O4 | sing | 1.43Å | 1.44Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | O1 | sing | 1.43Å | 1.07Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C7 | H6 | 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 | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O5 | HO5 | sing | 0.97Å | 0.95Å | |
O1 | H7 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C7 | C1 | C2 | 110.5° | 109.4° |
C1 | C7 | O5 | 104.6° | 109.5° |
C1 | C7 | C5 | 113.4° | 109.4° |
C7 | C1 | H1 | 107.1° | 109.5° |
C7 | C1 | O1 | 108.6° | 109.5° |
C1 | C7 | H6 | 109.1° | 109.4° |
C1 | C2 | O2 | 109.3° | 109.5° |
C1 | C2 | C3 | 116.0° | 109.5° |
C2 | C1 | H1 | 107.2° | 109.5° |
C2 | C1 | O1 | 108.6° | 109.5° |
C1 | C2 | H2 | 108.5° | 109.5° |
O5 | C7 | C5 | 109.9° | 109.5° |
O5 | C7 | H6 | 110.6° | 109.5° |
C7 | O5 | HO5 | 109.5° | 114.0° |
C7 | C5 | C6 | 112.1° | 109.5° |
C7 | C5 | C4 | 109.4° | 109.5° |
C5 | C7 | H6 | 109.2° | 109.5° |
C7 | C5 | H5 | 106.8° | 109.5° |
O2 | C2 | C3 | 104.6° | 109.5° |
O2 | C2 | H2 | 109.7° | 109.4° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C2 | C3 | C4 | 114.5° | 109.5° |
C2 | C3 | O3 | 107.3° | 109.5° |
C3 | C2 | H2 | 108.6° | 109.5° |
C2 | C3 | H3 | 108.9° | 109.4° |
C6 | C5 | C4 | 114.6° | 109.5° |
C5 | C6 | O6 | 111.8° | 109.5° |
C6 | C5 | H5 | 106.7° | 109.4° |
C5 | C6 | H61 | 108.9° | 109.4° |
C5 | C6 | H62 | 108.9° | 109.5° |
C5 | C4 | C3 | 111.6° | 109.5° |
C5 | C4 | O4 | 112.0° | 109.5° |
C4 | C5 | H5 | 106.9° | 109.5° |
C5 | C4 | H4 | 108.5° | 109.4° |
O6 | C6 | H61 | 108.9° | 109.5° |
O6 | C6 | H62 | 108.9° | 109.5° |
C6 | O6 | HO6 | 109.5° | 114.0° |
C4 | C3 | O3 | 106.9° | 109.5° |
C3 | C4 | O4 | 106.4° | 109.5° |
C3 | C4 | H4 | 108.4° | 109.5° |
C4 | C3 | H3 | 108.8° | 109.5° |
O3 | C3 | H3 | 110.3° | 109.5° |
C3 | O3 | HO3 | 109.5° | 114.0° |
O4 | C4 | H4 | 109.7° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.0° |
H1 | C1 | O1 | 114.9° | 109.5° |
C1 | O1 | H7 | 109.5° | 114.0° |
H61 | C6 | H62 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C7 | C1 | C2 | H1 | 116.3° | 120.0° |
C7 | C1 | C2 | O1 | 119.0° | 120.0° |
C1 | C7 | O5 | C5 | 122.0° | 120.0° |
C1 | C7 | O5 | H6 | 117.4° | 120.0° |
C1 | C7 | C5 | H6 | 121.9° | 119.9° |
C7 | C1 | C2 | O2 | 73.9° | 60.0° |
C7 | C1 | C2 | C3 | 44.0° | 60.0° |
C1 | C7 | C5 | C6 | 171.4° | 180.0° |
C1 | C7 | C5 | C4 | 60.4° | 60.0° |
C7 | C1 | H1 | O1 | 120.7° | 120.1° |
C7 | C1 | C2 | H2 | 166.5° | 179.9° |
C1 | C7 | C5 | H5 | 54.9° | 60.0° |
C1 | C7 | O5 | HO5 | 180.0° | 60.0° |
C7 | C1 | O1 | H7 | 180.0° | 180.0° |
C2 | C1 | C7 | O5 | 66.2° | 60.0° |
C2 | C1 | C7 | C5 | 53.5° | 60.0° |
C1 | C2 | O2 | C3 | 124.9° | 120.0° |
C1 | C2 | O2 | H2 | 118.8° | 120.0° |
C1 | C2 | C3 | H2 | 122.4° | 120.0° |
C1 | C2 | C3 | C4 | 42.7° | 60.0° |
C1 | C2 | C3 | O3 | 161.2° | 180.0° |
C2 | C1 | H1 | O1 | 120.8° | 120.0° |
C2 | C1 | C7 | H6 | 175.4° | 180.0° |
C1 | C2 | C3 | H3 | 79.4° | 60.0° |
C1 | C2 | O2 | HO2 | 180.0° | 180.0° |
C2 | C1 | O1 | H7 | 59.8° | 60.0° |
O5 | C7 | C5 | H6 | 121.5° | 120.0° |
O5 | C7 | C5 | C6 | 71.9° | 60.0° |
O5 | C7 | C5 | C4 | 56.2° | 60.0° |
O5 | C7 | C1 | H1 | 50.1° | 60.0° |
O5 | C7 | C1 | O1 | 174.7° | 180.0° |
O5 | C7 | C5 | H5 | 171.5° | 180.0° |
C7 | C5 | C6 | C4 | 125.4° | 120.0° |
C7 | C5 | C6 | H5 | 116.6° | 120.0° |
C7 | C5 | C4 | H5 | 115.2° | 120.0° |
C7 | C5 | C6 | O6 | 64.8° | 175.0° |
C7 | C5 | C4 | C3 | 55.9° | 60.0° |
C7 | C5 | C4 | O4 | 175.2° | 180.0° |
C5 | C7 | C1 | H1 | 169.8° | 180.0° |
C5 | C7 | C1 | O1 | 65.6° | 60.0° |
C7 | C5 | C6 | H61 | 55.6° | 64.9° |
C7 | C5 | C6 | H62 | 174.8° | 55.0° |
C7 | C5 | C4 | H4 | 63.5° | 60.0° |
C5 | C7 | O5 | HO5 | 58.0° | 180.0° |
O2 | C2 | C3 | H2 | 117.1° | 120.0° |
O2 | C2 | C3 | C4 | 77.9° | 60.0° |
O2 | C2 | C3 | O3 | 40.7° | 60.0° |
O2 | C2 | C1 | H1 | 42.4° | 60.0° |
O2 | C2 | C1 | O1 | 167.1° | 180.0° |
O2 | C2 | C3 | H3 | 160.1° | 180.0° |
C2 | C3 | C4 | C5 | 48.1° | 60.0° |
C2 | C3 | C4 | O3 | 118.8° | 120.0° |
C2 | C3 | C4 | H3 | 122.1° | 119.9° |
C2 | C3 | O3 | H3 | 118.6° | 119.9° |
C2 | C3 | C4 | O4 | 170.7° | 179.9° |
C3 | C2 | C1 | H1 | 160.4° | 180.0° |
C3 | C2 | C1 | O1 | 74.9° | 60.0° |
C2 | C3 | C4 | H4 | 71.4° | 60.0° |
C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
C3 | C2 | O2 | HO2 | 55.1° | 59.9° |
C6 | C5 | C4 | H5 | 118.0° | 120.0° |
C5 | C6 | O6 | H61 | 120.4° | 120.0° |
C5 | C6 | O6 | H62 | 120.4° | 120.0° |
C6 | C5 | C4 | C3 | 177.3° | 180.0° |
C6 | C5 | C4 | O4 | 58.0° | 60.0° |
C6 | C5 | C7 | H6 | 49.5° | 60.0° |
C5 | C6 | H61 | H62 | 118.9° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
C6 | C5 | C4 | H4 | 63.3° | 60.0° |
C4 | C5 | C6 | O6 | 60.5° | 65.0° |
C5 | C4 | C3 | O4 | 122.5° | 120.0° |
C5 | C4 | C3 | H4 | 119.5° | 120.0° |
C5 | C4 | C3 | O3 | 166.9° | 180.0° |
C5 | C4 | O4 | H4 | 120.6° | 120.0° |
C4 | C5 | C7 | H6 | 177.7° | 180.0° |
C4 | C5 | C6 | H61 | 179.1° | 55.1° |
C4 | C5 | C6 | H62 | 59.8° | 175.0° |
C5 | C4 | O4 | HO4 | 180.0° | 180.0° |
C5 | C4 | C3 | H3 | 74.0° | 60.0° |
O6 | C6 | C5 | H5 | 178.6° | 55.0° |
O6 | C6 | H61 | H62 | 118.9° | 120.0° |
C4 | C3 | O3 | H3 | 118.1° | 120.0° |
C3 | C4 | O4 | H4 | 117.1° | 120.1° |
C4 | C3 | C2 | H2 | 165.1° | 180.0° |
C3 | C4 | C5 | H5 | 59.3° | 60.0° |
C3 | C4 | O4 | HO4 | 57.7° | 60.0° |
C4 | C3 | O3 | HO3 | 56.7° | 180.0° |
O3 | C3 | C4 | O4 | 70.6° | 60.0° |
O3 | C3 | C2 | H2 | 76.4° | 59.9° |
O3 | C3 | C4 | H4 | 47.4° | 60.0° |
O4 | C4 | C5 | H5 | 60.0° | 60.0° |
O4 | C4 | C3 | H3 | 48.5° | 60.0° |
H1 | C1 | C2 | H2 | 77.2° | 60.0° |
H1 | C1 | C7 | H6 | 68.3° | 60.1° |
H1 | C1 | O1 | H7 | 60.2° | 60.0° |
O1 | C1 | C2 | H2 | 47.5° | 60.0° |
O1 | C1 | C7 | H6 | 56.3° | 60.0° |
H2 | C2 | C3 | H3 | 43.1° | 60.0° |
H2 | C2 | O2 | HO2 | 61.2° | 60.1° |
H6 | C7 | C5 | H5 | 67.0° | 59.9° |
H6 | C7 | O5 | HO5 | 62.6° | 60.0° |
H5 | C5 | C6 | H61 | 61.0° | 175.1° |
H5 | C5 | C6 | H62 | 58.2° | 65.0° |
H5 | C5 | C4 | H4 | 178.7° | 180.0° |
H61 | C6 | O6 | HO6 | 59.6° | 60.0° |
H62 | C6 | O6 | HO6 | 59.7° | 60.0° |
H4 | C4 | O4 | HO4 | 59.3° | 60.0° |
H4 | C4 | C3 | H3 | 166.5° | 179.9° |
H3 | C3 | O3 | HO3 | 61.4° | 60.0° |