KO1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1B | C1 | sing | 1.34Å | 1.26Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å | |
| O1A | C1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.55Å | |
| C3 | C2 | sing | 1.53Å | 1.56Å | |
| C2 | O6 | sing | 1.43Å | 1.56Å | |
| C2 | O2 | sing | 1.43Å | 1.47Å | |
| O6 | C6 | sing | 1.43Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.56Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O7 | C7 | sing | 1.43Å | 1.42Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | O8 | sing | 1.43Å | 1.45Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| O5 | C5 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| O4 | C4 | sing | 1.43Å | 1.41Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O3 | C3 | sing | 1.43Å | 1.41Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1B | HO1B | 109.5° | 116.9° |
| O1B | C1 | O1A | 121.5° | 120.0° |
| O1B | C1 | C2 | 119.8° | 120.0° |
| O1A | C1 | C2 | 118.7° | 120.0° |
| C1 | C2 | C3 | 109.2° | 109.5° |
| C1 | C2 | O6 | 107.3° | 109.5° |
| C1 | C2 | O2 | 117.7° | 109.5° |
| C3 | C2 | O6 | 110.6° | 109.4° |
| C3 | C2 | O2 | 104.2° | 109.5° |
| C2 | C3 | C4 | 109.4° | 109.2° |
| C2 | C3 | O3 | 102.6° | 109.5° |
| C2 | C3 | H31 | 115.7° | 109.5° |
| O6 | C2 | O2 | 107.9° | 109.5° |
| C2 | O6 | C6 | 109.5° | 114.1° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| O6 | C6 | C5 | 108.9° | 109.4° |
| O6 | C6 | C7 | 103.3° | 109.4° |
| O6 | C6 | H6 | 116.3° | 109.5° |
| C5 | C6 | C7 | 116.1° | 109.5° |
| C5 | C6 | H6 | 103.6° | 109.5° |
| C6 | C5 | O5 | 109.5° | 109.6° |
| C6 | C5 | C4 | 108.8° | 109.2° |
| C6 | C5 | H5 | 109.9° | 109.5° |
| C7 | C6 | H6 | 109.1° | 109.5° |
| C6 | C7 | O7 | 104.0° | 109.5° |
| C6 | C7 | C8 | 113.2° | 109.5° |
| C6 | C7 | H7 | 113.1° | 109.5° |
| O7 | C7 | C8 | 115.6° | 109.5° |
| O7 | C7 | H7 | 110.5° | 109.4° |
| C7 | O7 | HO7 | 109.5° | 114.0° |
| C8 | C7 | H7 | 100.7° | 109.5° |
| C7 | C8 | O8 | 100.5° | 109.5° |
| C7 | C8 | H81 | 112.6° | 109.5° |
| C7 | C8 | H82 | 114.4° | 109.5° |
| O8 | C8 | H81 | 112.6° | 109.5° |
| O8 | C8 | H82 | 114.4° | 109.5° |
| C8 | O8 | HO8 | 109.5° | 114.0° |
| H81 | C8 | H82 | 102.8° | 109.4° |
| O5 | C5 | C4 | 109.2° | 109.6° |
| O5 | C5 | H5 | 109.4° | 109.5° |
| C5 | O5 | HO5 | 109.5° | 114.0° |
| C4 | C5 | H5 | 110.1° | 109.5° |
| C5 | C4 | O4 | 108.6° | 109.6° |
| C5 | C4 | C3 | 114.0° | 109.0° |
| C5 | C4 | H4 | 107.0° | 109.6° |
| O4 | C4 | C3 | 109.6° | 109.6° |
| O4 | C4 | H4 | 111.7° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C3 | C4 | H4 | 106.0° | 109.5° |
| C4 | C3 | O3 | 114.4° | 109.5° |
| C4 | C3 | H31 | 104.3° | 109.5° |
| O3 | C3 | H31 | 110.9° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1B | C1 | O1A | C2 | 179.3° | 179.9° |
| O1B | C1 | C2 | C3 | 109.7° | 54.9° |
| O1B | C1 | C2 | O6 | 10.2° | 65.1° |
| O1B | C1 | C2 | O2 | 131.9° | 175.0° |
| HO1B | O1B | C1 | O1A | 0.0° | 0.1° |
| HO1B | O1B | C1 | C2 | 179.2° | 180.0° |
| O1A | C1 | C2 | C3 | 69.6° | 125.0° |
| O1A | C1 | C2 | O6 | 170.5° | 115.1° |
| O1A | C1 | C2 | O2 | 48.8° | 4.9° |
| C1 | C2 | C3 | O6 | 117.8° | 120.0° |
| C1 | C2 | C3 | O2 | 126.5° | 120.0° |
| C1 | C2 | O6 | O2 | 127.7° | 120.0° |
| C1 | C2 | O6 | C6 | 180.0° | 178.8° |
| C1 | C2 | C3 | C4 | 169.8° | 177.6° |
| C1 | C2 | C3 | O3 | 48.1° | 57.7° |
| C1 | C2 | C3 | H31 | 72.8° | 62.5° |
| C1 | C2 | O2 | HO2 | 126.5° | 59.9° |
| C3 | C2 | O6 | O2 | 113.3° | 120.0° |
| C3 | C2 | O6 | C6 | 61.0° | 61.2° |
| C2 | C3 | C4 | C5 | 50.7° | 57.0° |
| C2 | C3 | C4 | O4 | 172.6° | 176.9° |
| C2 | C3 | C4 | O3 | 114.4° | 119.9° |
| C2 | C3 | C4 | H31 | 124.4° | 119.9° |
| C2 | C3 | C4 | H4 | 66.8° | 62.9° |
| C2 | C3 | O3 | H31 | 124.2° | 120.2° |
| C2 | C3 | O3 | HO3 | 3.8° | 60.0° |
| C3 | C2 | O2 | HO2 | 5.5° | 180.0° |
| C2 | O6 | C6 | C5 | 65.7° | 61.2° |
| C2 | O6 | C6 | C7 | 170.4° | 178.9° |
| C2 | O6 | C6 | H6 | 50.9° | 58.9° |
| O6 | C2 | C3 | C4 | 52.0° | 57.6° |
| O6 | C2 | C3 | O3 | 69.8° | 62.3° |
| O6 | C2 | C3 | H31 | 169.4° | 177.5° |
| O6 | C2 | O2 | HO2 | 112.1° | 60.0° |
| O2 | C2 | O6 | C6 | 52.3° | 58.8° |
| O2 | C2 | C3 | C4 | 63.6° | 62.4° |
| O2 | C2 | C3 | O3 | 174.6° | 177.7° |
| O2 | C2 | C3 | H31 | 53.7° | 57.5° |
| O6 | C6 | C5 | C7 | 116.0° | 119.9° |
| O6 | C6 | C5 | H6 | 124.4° | 120.0° |
| O6 | C6 | C7 | H6 | 124.4° | 120.0° |
| O6 | C6 | C7 | O7 | 172.3° | 180.0° |
| O6 | C6 | C7 | C8 | 61.4° | 60.0° |
| O6 | C6 | C7 | H7 | 52.3° | 60.0° |
| O6 | C6 | C5 | O5 | 57.4° | 62.3° |
| O6 | C6 | C5 | C4 | 61.8° | 57.7° |
| O6 | C6 | C5 | H5 | 177.6° | 177.6° |
| C5 | C6 | C7 | H6 | 116.6° | 120.1° |
| C5 | C6 | C7 | O7 | 53.2° | 60.1° |
| C5 | C6 | C7 | C8 | 179.5° | 179.9° |
| C5 | C6 | C7 | H7 | 66.7° | 59.9° |
| C6 | C5 | O5 | C4 | 119.0° | 119.8° |
| C6 | C5 | O5 | H5 | 120.5° | 120.1° |
| C6 | C5 | C4 | H5 | 120.4° | 119.9° |
| C6 | C5 | O5 | HO5 | 3.2° | 180.0° |
| C6 | C5 | C4 | O4 | 178.0° | 177.0° |
| C6 | C5 | C4 | C3 | 55.6° | 57.0° |
| C6 | C5 | C4 | H4 | 61.3° | 62.8° |
| C6 | C7 | O7 | C8 | 124.7° | 120.0° |
| C6 | C7 | O7 | H7 | 121.7° | 120.0° |
| C6 | C7 | C8 | H7 | 121.0° | 120.0° |
| C6 | C7 | C8 | O8 | 76.5° | 175.0° |
| C6 | C7 | C8 | H81 | 163.5° | 55.0° |
| C6 | C7 | C8 | H82 | 46.6° | 64.9° |
| C6 | C7 | O7 | HO7 | 69.1° | 60.0° |
| C7 | C6 | C5 | O5 | 58.6° | 57.6° |
| C7 | C6 | C5 | C4 | 177.8° | 177.6° |
| C7 | C6 | C5 | H5 | 61.6° | 62.5° |
| H6 | C6 | C7 | O7 | 63.3° | 60.0° |
| H6 | C6 | C7 | C8 | 63.0° | 60.0° |
| H6 | C6 | C7 | H7 | 176.7° | 180.0° |
| H6 | C6 | C5 | O5 | 178.2° | 177.7° |
| H6 | C6 | C5 | C4 | 62.6° | 62.3° |
| H6 | C6 | C5 | H5 | 58.0° | 57.6° |
| O7 | C7 | C8 | H7 | 119.1° | 120.0° |
| O7 | C7 | C8 | O8 | 43.3° | 65.0° |
| O7 | C7 | C8 | H81 | 76.7° | 175.0° |
| O7 | C7 | C8 | H82 | 166.4° | 55.1° |
| C7 | C8 | O8 | H81 | 120.0° | 120.0° |
| C7 | C8 | O8 | H82 | 123.1° | 120.0° |
| C7 | C8 | H81 | H82 | 123.6° | 120.0° |
| C7 | C8 | O8 | HO8 | 6.1° | 180.0° |
| C8 | C7 | O7 | HO7 | 166.1° | 60.0° |
| H7 | C7 | C8 | O8 | 162.4° | 55.0° |
| H7 | C7 | C8 | H81 | 42.4° | 65.0° |
| H7 | C7 | C8 | H82 | 74.5° | 175.0° |
| H7 | C7 | O7 | HO7 | 52.5° | 180.0° |
| O8 | C8 | H81 | H82 | 123.6° | 120.0° |
| H81 | C8 | O8 | HO8 | 126.1° | 60.0° |
| H82 | C8 | O8 | HO8 | 117.0° | 59.9° |
| O5 | C5 | C4 | H5 | 120.2° | 120.1° |
| O5 | C5 | C4 | O4 | 58.6° | 57.0° |
| O5 | C5 | C4 | C3 | 63.8° | 63.0° |
| O5 | C5 | C4 | H4 | 179.3° | 177.2° |
| C4 | C5 | O5 | HO5 | 115.8° | 60.2° |
| C5 | C4 | O4 | C3 | 125.1° | 119.6° |
| C5 | C4 | O4 | H4 | 117.8° | 120.2° |
| C5 | C4 | C3 | H4 | 117.5° | 119.9° |
| C5 | C4 | O4 | HO4 | 80.0° | 180.0° |
| C5 | C4 | C3 | O3 | 63.7° | 62.9° |
| C5 | C4 | C3 | H31 | 175.0° | 176.9° |
| H5 | C5 | O5 | HO5 | 123.6° | 59.9° |
| H5 | C5 | C4 | O4 | 61.5° | 63.1° |
| H5 | C5 | C4 | C3 | 176.0° | 176.9° |
| H5 | C5 | C4 | H4 | 59.2° | 57.1° |
| O4 | C4 | C3 | H4 | 120.6° | 120.2° |
| O4 | C4 | C3 | O3 | 58.2° | 57.0° |
| O4 | C4 | C3 | H31 | 63.1° | 63.2° |
| C3 | C4 | O4 | HO4 | 45.1° | 60.4° |
| C4 | C3 | O3 | H31 | 117.6° | 120.1° |
| C4 | C3 | O3 | HO3 | 122.1° | 179.7° |
| H4 | C4 | O4 | HO4 | 162.2° | 59.8° |
| H4 | C4 | C3 | O3 | 178.8° | 177.2° |
| H4 | C4 | C3 | H31 | 57.6° | 57.0° |
| H31 | C3 | O3 | HO3 | 120.4° | 60.2° |
