KFN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1B | sing | 1.35Å | 1.25Å | |
C1 | O1A | doub | 1.21Å | 1.25Å | |
C1 | C2 | sing | 1.47Å | 1.52Å | |
C3 | C4 | sing | 1.50Å | 1.53Å | |
C3 | C2 | doub | 1.32Å | 1.40Å | |
C4 | C5 | sing | 1.53Å | 1.54Å | |
C4 | O4 | sing | 1.43Å | 1.45Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C5 | O5 | sing | 1.43Å | 1.42Å | |
C6 | C7 | sing | 1.53Å | 1.53Å | |
C6 | O6 | sing | 1.43Å | 1.45Å | |
C7 | C8 | sing | 1.53Å | 1.54Å | |
C7 | O7 | sing | 1.43Å | 1.44Å | |
C8 | C9 | sing | 1.53Å | 1.53Å | |
C8 | O8 | sing | 1.43Å | 1.44Å | |
C9 | O9 | sing | 1.43Å | 1.42Å | |
O6 | C2 | sing | 1.36Å | 1.37Å | |
O1B | HO1B | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
O5 | HO5 | sing | 0.97Å | 0.95Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
O7 | HO7 | sing | 0.97Å | 0.95Å | |
C9 | H91 | sing | 1.09Å | 1.10Å | |
C9 | H92 | sing | 1.09Å | 1.10Å | |
O8 | HO8 | sing | 0.97Å | 0.95Å | |
O9 | HO9 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1B | C1 | O1A | 125.5° | 120.0° |
O1B | C1 | C2 | 119.5° | 120.0° |
C1 | O1B | HO1B | 109.5° | 117.0° |
O1A | C1 | C2 | 114.9° | 120.0° |
C1 | C2 | C3 | 121.1° | 118.5° |
C1 | C2 | O6 | 115.0° | 118.4° |
C4 | C3 | C2 | 118.9° | 122.3° |
C3 | C4 | C5 | 110.1° | 109.4° |
C3 | C4 | O4 | 113.7° | 109.5° |
C4 | C3 | H3 | 120.5° | 118.9° |
C3 | C4 | H4 | 107.2° | 109.5° |
C3 | C2 | O6 | 123.9° | 123.1° |
C2 | C3 | H3 | 120.6° | 118.8° |
C5 | C4 | O4 | 112.7° | 109.5° |
C4 | C5 | C6 | 109.5° | 108.3° |
C4 | C5 | O5 | 107.7° | 109.7° |
C5 | C4 | H4 | 108.4° | 109.4° |
C4 | C5 | H5 | 110.6° | 109.7° |
O4 | C4 | H4 | 104.3° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C6 | C5 | O5 | 109.3° | 109.7° |
C5 | C6 | C7 | 115.2° | 109.7° |
C5 | C6 | O6 | 110.8° | 108.3° |
C6 | C5 | H5 | 109.0° | 109.7° |
C5 | C6 | H6 | 102.7° | 109.7° |
O5 | C5 | H5 | 110.8° | 109.7° |
C5 | O5 | HO5 | 109.5° | 114.0° |
C7 | C6 | O6 | 102.8° | 109.6° |
C6 | C7 | C8 | 110.8° | 109.5° |
C6 | C7 | O7 | 108.5° | 109.5° |
C7 | C6 | H6 | 110.7° | 109.7° |
C6 | C7 | H7 | 109.4° | 109.4° |
C6 | O6 | C2 | 119.1° | 117.5° |
O6 | C6 | H6 | 115.1° | 109.7° |
C8 | C7 | O7 | 110.0° | 109.5° |
C7 | C8 | C9 | 111.0° | 109.5° |
C7 | C8 | O8 | 111.8° | 109.5° |
C8 | C7 | H7 | 107.9° | 109.5° |
C7 | C8 | H8 | 106.5° | 109.5° |
O7 | C7 | H7 | 110.2° | 109.5° |
C7 | O7 | HO7 | 109.5° | 114.0° |
C9 | C8 | O8 | 108.4° | 109.4° |
C8 | C9 | O9 | 107.5° | 109.5° |
C9 | C8 | H8 | 110.0° | 109.4° |
C8 | C9 | H91 | 110.1° | 109.4° |
C8 | C9 | H92 | 110.5° | 109.5° |
O8 | C8 | H8 | 109.2° | 109.5° |
C8 | O8 | HO8 | 109.5° | 114.0° |
O9 | C9 | H91 | 110.1° | 109.5° |
O9 | C9 | H92 | 110.6° | 109.5° |
C9 | O9 | HO9 | 109.5° | 114.0° |
H91 | C9 | H92 | 108.0° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1B | C1 | O1A | C2 | 177.3° | 179.8° |
O1B | C1 | C2 | C3 | 1.0° | 180.0° |
O1B | C1 | C2 | O6 | 178.5° | 0.0° |
O1A | C1 | C2 | C3 | 178.5° | 0.2° |
O1A | C1 | C2 | O6 | 1.0° | 179.8° |
O1A | C1 | O1B | HO1B | 0.0° | 0.1° |
C1 | C2 | C3 | C4 | 177.9° | 179.6° |
C1 | C2 | C3 | O6 | 179.5° | 180.0° |
C1 | C2 | O6 | C6 | 171.2° | 163.3° |
C2 | C1 | O1B | HO1B | 177.2° | 179.7° |
C1 | C2 | C3 | H3 | 2.1° | 0.1° |
C4 | C3 | C2 | H3 | 180.0° | 179.7° |
C3 | C4 | C5 | O4 | 128.1° | 120.0° |
C3 | C4 | C5 | H4 | 117.0° | 120.0° |
C3 | C4 | O4 | H4 | 116.5° | 120.1° |
C3 | C4 | C5 | C6 | 51.6° | 47.2° |
C3 | C4 | C5 | O5 | 170.3° | 166.9° |
C4 | C3 | C2 | O6 | 1.5° | 0.4° |
C3 | C4 | C5 | H5 | 68.5° | 72.5° |
C3 | C4 | O4 | HO4 | 71.8° | 60.0° |
C2 | C3 | C4 | C5 | 24.2° | 17.6° |
C2 | C3 | C4 | O4 | 151.7° | 137.6° |
C3 | C2 | O6 | C6 | 8.3° | 16.7° |
C2 | C3 | C4 | H4 | 93.6° | 102.4° |
C5 | C4 | O4 | H4 | 117.3° | 120.0° |
C4 | C5 | C6 | O5 | 117.7° | 119.6° |
C4 | C5 | C6 | H5 | 121.1° | 119.7° |
C4 | C5 | O5 | H5 | 121.0° | 120.6° |
C4 | C5 | C6 | C7 | 175.2° | 177.3° |
C4 | C5 | C6 | O6 | 59.0° | 63.0° |
C5 | C4 | C3 | H3 | 155.8° | 162.8° |
C5 | C4 | O4 | HO4 | 54.4° | 179.9° |
C4 | C5 | C6 | H6 | 64.4° | 56.7° |
C4 | C5 | O5 | HO5 | 100.8° | 60.0° |
O4 | C4 | C5 | C6 | 179.7° | 167.2° |
O4 | C4 | C5 | O5 | 61.6° | 73.1° |
O4 | C4 | C3 | H3 | 28.3° | 42.8° |
O4 | C4 | C5 | H5 | 59.5° | 47.4° |
C6 | C5 | O5 | H5 | 120.1° | 120.6° |
C5 | C6 | C7 | O6 | 120.6° | 118.8° |
C5 | C6 | C7 | H6 | 115.9° | 120.6° |
C5 | C6 | O6 | H6 | 115.9° | 119.7° |
C5 | C6 | C7 | C8 | 175.6° | 175.0° |
C5 | C6 | C7 | O7 | 63.5° | 55.0° |
C5 | C6 | O6 | C2 | 37.3° | 47.9° |
C6 | C5 | C4 | H4 | 65.4° | 72.8° |
C6 | C5 | O5 | HO5 | 140.3° | 178.8° |
C5 | C6 | C7 | H7 | 56.8° | 65.0° |
O5 | C5 | C6 | C7 | 67.1° | 57.7° |
O5 | C5 | C6 | O6 | 176.7° | 177.3° |
O5 | C5 | C4 | H4 | 53.3° | 46.9° |
O5 | C5 | C6 | H6 | 53.3° | 62.9° |
C7 | C6 | O6 | H6 | 120.4° | 120.6° |
C6 | C7 | C8 | O7 | 120.0° | 120.0° |
C6 | C7 | C8 | H7 | 119.7° | 119.9° |
C6 | C7 | O7 | H7 | 119.8° | 120.0° |
C6 | C7 | C8 | C9 | 175.7° | 180.0° |
C6 | C7 | C8 | O8 | 63.2° | 60.0° |
C7 | C6 | O6 | C2 | 160.9° | 167.6° |
C7 | C6 | C5 | H5 | 54.1° | 63.0° |
C6 | C7 | C8 | H8 | 56.0° | 60.0° |
C6 | C7 | O7 | HO7 | 129.8° | 60.0° |
O6 | C6 | C7 | C8 | 63.8° | 56.2° |
O6 | C6 | C7 | O7 | 57.1° | 63.9° |
O6 | C6 | C5 | H5 | 62.1° | 56.7° |
O6 | C6 | C7 | H7 | 177.4° | 176.1° |
C8 | C7 | O7 | H7 | 118.8° | 120.0° |
C7 | C8 | C9 | O8 | 123.1° | 120.0° |
C7 | C8 | C9 | H8 | 117.6° | 120.0° |
C7 | C8 | O8 | H8 | 117.5° | 120.1° |
C7 | C8 | C9 | O9 | 64.8° | 175.0° |
C8 | C7 | C6 | H6 | 59.7° | 64.4° |
C8 | C7 | O7 | HO7 | 8.4° | 60.0° |
C7 | C8 | C9 | H91 | 175.2° | 55.0° |
C7 | C8 | C9 | H92 | 56.0° | 65.0° |
C7 | C8 | O8 | HO8 | 10.0° | 60.0° |
O7 | C7 | C8 | C9 | 55.7° | 60.0° |
O7 | C7 | C8 | O8 | 176.8° | 180.0° |
O7 | C7 | C6 | H6 | 179.5° | 175.6° |
O7 | C7 | C8 | H8 | 64.0° | 60.0° |
C9 | C8 | O8 | H8 | 119.8° | 119.9° |
C8 | C9 | O9 | H91 | 120.0° | 120.0° |
C8 | C9 | O9 | H92 | 120.8° | 120.0° |
C9 | C8 | C7 | H7 | 64.6° | 60.0° |
C8 | C9 | H91 | H92 | 120.8° | 120.0° |
C9 | C8 | O8 | HO8 | 132.6° | 60.0° |
C8 | C9 | O9 | HO9 | 96.1° | 180.0° |
O8 | C8 | C9 | O9 | 58.3° | 65.0° |
O8 | C8 | C7 | H7 | 56.5° | 60.0° |
O8 | C8 | C9 | H91 | 61.7° | 175.0° |
O8 | C8 | C9 | H92 | 179.1° | 55.0° |
O9 | C9 | C8 | H8 | 177.7° | 54.9° |
O9 | C9 | H91 | H92 | 120.8° | 120.0° |
O6 | C2 | C3 | H3 | 178.4° | 179.9° |
C2 | O6 | C6 | H6 | 78.6° | 71.8° |
H3 | C3 | C4 | H4 | 86.5° | 77.3° |
H4 | C4 | C5 | H5 | 174.5° | 167.5° |
H4 | C4 | O4 | HO4 | 171.7° | 60.1° |
H5 | C5 | C6 | H6 | 174.5° | 176.4° |
H5 | C5 | O5 | HO5 | 20.2° | 60.5° |
H6 | C6 | C7 | H7 | 59.2° | 55.5° |
H7 | C7 | C8 | H8 | 175.7° | 180.0° |
H7 | C7 | O7 | HO7 | 110.4° | 180.0° |
H8 | C8 | C9 | H91 | 57.7° | 65.1° |
H8 | C8 | C9 | H92 | 61.6° | 175.0° |
H8 | C8 | O8 | HO8 | 107.5° | 179.9° |
H91 | C9 | O9 | HO9 | 143.9° | 60.0° |
H92 | C9 | O9 | HO9 | 24.7° | 60.0° |