LCN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C6 | O6 | sing | 1.43Å | 1.39Å | |
C6 | C5 | sing | 1.53Å | 1.51Å | |
O5 | C5 | sing | 1.43Å | 1.39Å | |
O5 | C1 | sing | 1.35Å | 1.39Å | |
C5 | C4 | sing | 1.54Å | 1.51Å | |
C1 | C2 | doub | 1.31Å | 1.38Å | |
C4 | O4 | sing | 1.43Å | 1.37Å | |
C4 | C3 | sing | 1.53Å | 1.50Å | |
C2 | C3 | sing | 1.50Å | 1.51Å | |
C2 | O2 | sing | 1.36Å | 1.38Å | |
C3 | O3 | sing | 1.43Å | 1.39Å | |
C1 | H1 | sing | 1.08Å | 1.08Å | |
O2 | HO2 | 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 | |
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) |
O6 | C6 | C5 | 110.5° | 109.5° |
O6 | C6 | H61 | 109.2° | 109.5° |
O6 | C6 | H62 | 109.2° | 109.4° |
C6 | O6 | HO6 | 109.5° | 114.1° |
C6 | C5 | O5 | 110.3° | 109.7° |
C6 | C5 | C4 | 111.0° | 109.7° |
C6 | C5 | H5 | 107.6° | 109.7° |
C5 | C6 | H61 | 109.2° | 109.5° |
C5 | C6 | H62 | 109.2° | 109.5° |
C5 | O5 | C1 | 123.3° | 117.5° |
O5 | C5 | C4 | 110.7° | 108.1° |
O5 | C5 | H5 | 109.3° | 109.9° |
O5 | C1 | C2 | 119.8° | 123.3° |
O5 | C1 | H1 | 120.1° | 118.3° |
C5 | C4 | O4 | 109.9° | 109.7° |
C5 | C4 | C3 | 110.1° | 108.2° |
C5 | C4 | H4 | 108.6° | 109.8° |
C4 | C5 | H5 | 107.8° | 109.7° |
C1 | C2 | C3 | 119.2° | 122.5° |
C1 | C2 | O2 | 119.7° | 118.8° |
C2 | C1 | H1 | 120.1° | 118.4° |
O4 | C4 | C3 | 108.9° | 109.7° |
O4 | C4 | H4 | 110.6° | 109.7° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C4 | C3 | C2 | 110.5° | 109.4° |
C4 | C3 | O3 | 111.0° | 109.5° |
C4 | C3 | H3 | 108.1° | 109.5° |
C3 | C4 | H4 | 108.7° | 109.7° |
C3 | C2 | O2 | 120.9° | 118.7° |
C2 | C3 | O3 | 109.6° | 109.5° |
C2 | C3 | H3 | 108.0° | 109.5° |
C2 | O2 | HO2 | 109.5° | 114.0° |
O3 | C3 | H3 | 109.6° | 109.5° |
C3 | O3 | HO3 | 109.5° | 114.0° |
H61 | C6 | H62 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O6 | C6 | C5 | H61 | 120.2° | 120.0° |
O6 | C6 | C5 | H62 | 120.2° | 120.0° |
O6 | C6 | C5 | O5 | 70.1° | 66.4° |
O6 | C6 | C5 | C4 | 52.9° | 175.0° |
O6 | C6 | C5 | H5 | 170.6° | 54.5° |
O6 | C6 | H61 | H62 | 119.5° | 119.9° |
C6 | C5 | O5 | C4 | 123.3° | 119.6° |
C6 | C5 | O5 | H5 | 118.2° | 120.7° |
C6 | C5 | O5 | C1 | 157.9° | 167.6° |
C6 | C5 | C4 | H5 | 117.6° | 120.6° |
C6 | C5 | C4 | O4 | 61.5° | 58.0° |
C6 | C5 | C4 | C3 | 178.6° | 177.7° |
C6 | C5 | C4 | H4 | 59.6° | 62.6° |
C5 | C6 | H61 | H62 | 119.5° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
O5 | C5 | C4 | H5 | 119.5° | 119.8° |
C5 | O5 | C1 | C2 | 9.9° | 17.1° |
O5 | C5 | C4 | O4 | 175.6° | 177.6° |
O5 | C5 | C4 | C3 | 55.7° | 62.7° |
C5 | O5 | C1 | H1 | 170.1° | 163.1° |
O5 | C5 | C4 | H4 | 63.3° | 57.0° |
O5 | C5 | C6 | H61 | 169.7° | 173.5° |
O5 | C5 | C6 | H62 | 50.0° | 53.6° |
C1 | O5 | C5 | C4 | 34.6° | 48.0° |
O5 | C1 | C2 | H1 | 180.0° | 179.8° |
O5 | C1 | C2 | C3 | 6.8° | 0.7° |
O5 | C1 | C2 | O2 | 178.7° | 179.3° |
C1 | O5 | C5 | H5 | 84.0° | 71.7° |
C5 | C4 | O4 | C3 | 120.7° | 118.7° |
C5 | C4 | O4 | H4 | 120.0° | 120.6° |
C5 | C4 | C3 | H4 | 118.9° | 119.7° |
C5 | C4 | C3 | C2 | 52.8° | 47.0° |
C5 | C4 | C3 | O3 | 174.6° | 166.9° |
C5 | C4 | C3 | H3 | 65.1° | 73.0° |
C5 | C4 | O4 | HO4 | 180.0° | 178.7° |
C4 | C5 | C6 | H61 | 67.2° | 55.0° |
C4 | C5 | C6 | H62 | 173.1° | 65.0° |
C1 | C2 | C3 | C4 | 29.3° | 17.5° |
C1 | C2 | C3 | O2 | 174.5° | 180.0° |
C1 | C2 | C3 | O3 | 151.9° | 137.5° |
C1 | C2 | O2 | HO2 | 180.0° | 0.0° |
C1 | C2 | C3 | H3 | 88.8° | 102.4° |
O4 | C4 | C3 | H4 | 120.5° | 120.6° |
O4 | C4 | C3 | C2 | 173.3° | 166.6° |
O4 | C4 | C3 | O3 | 64.9° | 73.4° |
O4 | C4 | C3 | H3 | 55.4° | 46.6° |
O4 | C4 | C5 | H5 | 56.1° | 62.6° |
C4 | C3 | C2 | O3 | 122.6° | 119.9° |
C4 | C3 | C2 | H3 | 118.0° | 120.0° |
C4 | C3 | C2 | O2 | 156.3° | 162.5° |
C4 | C3 | O3 | H3 | 119.4° | 120.0° |
C4 | C3 | O3 | HO3 | 180.0° | 180.0° |
C3 | C4 | O4 | HO4 | 59.3° | 60.0° |
C3 | C4 | C5 | H5 | 63.8° | 57.1° |
C2 | C3 | O3 | H3 | 118.3° | 120.1° |
C3 | C2 | C1 | H1 | 173.3° | 179.5° |
C3 | C2 | O2 | HO2 | 5.5° | 179.9° |
C2 | C3 | O3 | HO3 | 57.7° | 60.1° |
C2 | C3 | C4 | H4 | 66.1° | 72.8° |
O2 | C2 | C3 | O3 | 33.6° | 42.5° |
O2 | C2 | C1 | H1 | 1.3° | 0.5° |
O2 | C2 | C3 | H3 | 85.7° | 77.6° |
O3 | C3 | C4 | H4 | 55.7° | 47.2° |
H3 | C3 | O3 | HO3 | 60.6° | 60.0° |
H3 | C3 | C4 | H4 | 175.9° | 167.2° |
H4 | C4 | O4 | HO4 | 60.1° | 60.6° |
H4 | C4 | C5 | H5 | 177.2° | 176.8° |
H5 | C5 | C6 | H61 | 50.5° | 65.6° |
H5 | C5 | C6 | H62 | 69.2° | 174.4° |
H61 | C6 | O6 | HO6 | 59.8° | 59.9° |
H62 | C6 | O6 | HO6 | 59.9° | 60.0° |