KO2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1A | C1 | doub | 1.21Å | 1.25Å | |
| O1B | C1 | sing | 1.34Å | 1.26Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | O6 | sing | 1.43Å | 1.47Å | |
| C2 | O2 | sing | 1.43Å | 1.47Å | |
| O6 | C6 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | O7 | sing | 1.43Å | 1.42Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | O8 | sing | 1.43Å | 1.42Å | |
| 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 | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| O4 | C4 | sing | 1.43Å | 1.39Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O3 | C3 | sing | 1.43Å | 1.45Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O2 | C9 | sing | 1.43Å | 1.50Å | |
| C10 | C11 | doub | 1.31Å | 1.40Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H11A | sing | 1.08Å | 1.08Å | |
| C9 | C10 | sing | 1.51Å | 1.40Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | C1 | O1B | 126.0° | 119.9° |
| O1A | C1 | C2 | 115.7° | 120.0° |
| O1B | C1 | C2 | 118.2° | 120.0° |
| C1 | O1B | HO1B | 109.5° | 117.0° |
| C1 | C2 | C3 | 108.2° | 109.5° |
| C1 | C2 | O6 | 107.7° | 109.5° |
| C1 | C2 | O2 | 113.2° | 109.4° |
| C3 | C2 | O6 | 108.5° | 109.4° |
| C3 | C2 | O2 | 107.7° | 109.5° |
| C2 | C3 | C4 | 109.6° | 109.2° |
| C2 | C3 | O3 | 109.4° | 109.5° |
| C2 | C3 | H31 | 110.4° | 109.5° |
| O6 | C2 | O2 | 111.4° | 109.5° |
| C2 | O6 | C6 | 115.2° | 114.1° |
| C2 | O2 | C9 | 114.9° | 114.0° |
| O6 | C6 | C5 | 104.6° | 109.4° |
| O6 | C6 | C7 | 107.3° | 109.5° |
| O6 | C6 | H6 | 114.7° | 109.5° |
| C5 | C6 | C7 | 111.6° | 109.5° |
| C5 | C6 | H6 | 110.6° | 109.5° |
| C6 | C5 | O5 | 109.8° | 109.5° |
| C6 | C5 | C4 | 107.2° | 109.2° |
| C6 | C5 | H5 | 110.8° | 109.5° |
| C7 | C6 | H6 | 108.0° | 109.4° |
| C6 | C7 | O7 | 106.4° | 109.5° |
| C6 | C7 | C8 | 111.6° | 109.5° |
| C6 | C7 | H7 | 110.7° | 109.5° |
| O7 | C7 | C8 | 111.0° | 109.4° |
| O7 | C7 | H7 | 111.3° | 109.5° |
| C7 | O7 | HO7 | 109.5° | 114.0° |
| C8 | C7 | H7 | 106.0° | 109.4° |
| C7 | C8 | O8 | 107.3° | 109.5° |
| C7 | C8 | H81 | 110.2° | 109.5° |
| C7 | C8 | H82 | 110.7° | 109.5° |
| O8 | C8 | H81 | 110.2° | 109.4° |
| O8 | C8 | H82 | 110.7° | 109.5° |
| C8 | O8 | HO8 | 109.5° | 114.0° |
| H81 | C8 | H82 | 107.8° | 109.5° |
| O5 | C5 | C4 | 109.6° | 109.6° |
| O5 | C5 | H5 | 108.4° | 109.5° |
| C5 | O5 | HO5 | 109.5° | 114.0° |
| C4 | C5 | H5 | 111.0° | 109.5° |
| C5 | C4 | O4 | 109.4° | 109.6° |
| C5 | C4 | C3 | 114.4° | 109.0° |
| C5 | C4 | H4 | 106.8° | 109.5° |
| O4 | C4 | C3 | 111.5° | 109.6° |
| O4 | C4 | H4 | 110.0° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.1° |
| C3 | C4 | H4 | 104.5° | 109.5° |
| C4 | C3 | O3 | 112.3° | 109.5° |
| C4 | C3 | H31 | 107.4° | 109.5° |
| O3 | C3 | H31 | 107.6° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| O2 | C9 | C10 | 119.3° | 109.5° |
| O2 | C9 | H9 | 106.3° | 109.5° |
| O2 | C9 | H9A | 104.1° | 109.5° |
| C10 | C11 | H11 | 108.8° | 120.0° |
| C10 | C11 | H11A | 125.6° | 120.0° |
| C11 | C10 | C9 | 119.9° | 120.0° |
| C11 | C10 | H10 | 120.0° | 120.0° |
| H11 | C11 | H11A | 125.6° | 120.0° |
| C9 | C10 | H10 | 120.1° | 120.0° |
| C10 | C9 | H9 | 106.3° | 109.5° |
| C10 | C9 | H9A | 104.0° | 109.5° |
| H9 | C9 | H9A | 117.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | C1 | O1B | C2 | 177.4° | 179.8° |
| O1A | C1 | O1B | HO1B | 0.0° | 0.2° |
| O1A | C1 | C2 | C3 | 108.8° | 121.1° |
| O1A | C1 | C2 | O6 | 8.3° | 119.0° |
| O1A | C1 | C2 | O2 | 131.8° | 1.0° |
| O1B | C1 | C2 | C3 | 68.8° | 59.1° |
| O1B | C1 | C2 | O6 | 174.1° | 60.8° |
| O1B | C1 | C2 | O2 | 50.5° | 179.2° |
| C2 | C1 | O1B | HO1B | 177.4° | 180.0° |
| C1 | C2 | C3 | O6 | 116.5° | 120.0° |
| C1 | C2 | C3 | O2 | 122.7° | 120.0° |
| C1 | C2 | O6 | O2 | 124.7° | 120.0° |
| C1 | C2 | O6 | C6 | 178.9° | 178.8° |
| C1 | C2 | C3 | C4 | 165.4° | 177.6° |
| C1 | C2 | C3 | O3 | 41.8° | 57.7° |
| C1 | C2 | C3 | H31 | 76.5° | 62.5° |
| C1 | C2 | O2 | C9 | 54.0° | 66.9° |
| C3 | C2 | O6 | O2 | 118.4° | 120.0° |
| C3 | C2 | O6 | C6 | 64.2° | 61.2° |
| C2 | C3 | C4 | C5 | 49.7° | 57.0° |
| C2 | C3 | C4 | O4 | 174.5° | 176.9° |
| C2 | C3 | C4 | O3 | 121.9° | 119.9° |
| C2 | C3 | C4 | H31 | 120.0° | 119.9° |
| C2 | C3 | C4 | H4 | 66.7° | 62.8° |
| C2 | C3 | O3 | H31 | 120.0° | 120.1° |
| C2 | C3 | O3 | HO3 | 7.8° | 180.0° |
| C3 | C2 | O2 | C9 | 173.6° | 173.1° |
| C2 | O6 | C6 | C5 | 69.8° | 61.2° |
| C2 | O6 | C6 | C7 | 171.5° | 178.8° |
| C2 | O6 | C6 | H6 | 51.5° | 58.8° |
| O6 | C2 | C3 | C4 | 48.8° | 57.7° |
| O6 | C2 | C3 | O3 | 74.8° | 62.3° |
| O6 | C2 | C3 | H31 | 167.0° | 177.5° |
| O6 | C2 | O2 | C9 | 67.5° | 53.1° |
| O2 | C2 | O6 | C6 | 54.3° | 58.9° |
| O2 | C2 | C3 | C4 | 71.9° | 62.4° |
| O2 | C2 | C3 | O3 | 164.5° | 177.7° |
| O2 | C2 | C3 | H31 | 46.3° | 57.5° |
| C2 | O2 | C9 | C10 | 145.4° | 174.3° |
| C2 | O2 | C9 | H9 | 94.6° | 54.2° |
| C2 | O2 | C9 | H9A | 30.1° | 65.7° |
| O6 | C6 | C5 | C7 | 115.7° | 120.0° |
| O6 | C6 | C5 | H6 | 124.0° | 120.0° |
| O6 | C6 | C7 | H6 | 124.2° | 120.0° |
| O6 | C6 | C7 | O7 | 176.7° | 180.0° |
| O6 | C6 | C7 | C8 | 62.1° | 60.0° |
| O6 | C6 | C7 | H7 | 55.7° | 60.0° |
| O6 | C6 | C5 | O5 | 57.7° | 62.3° |
| O6 | C6 | C5 | C4 | 61.3° | 57.6° |
| O6 | C6 | C5 | H5 | 177.5° | 177.5° |
| C5 | C6 | C7 | H6 | 121.8° | 120.0° |
| C5 | C6 | C7 | O7 | 62.7° | 60.1° |
| C5 | C6 | C7 | C8 | 176.2° | 179.9° |
| C5 | C6 | C7 | H7 | 58.4° | 60.0° |
| C6 | C5 | O5 | C4 | 117.5° | 119.7° |
| C6 | C5 | O5 | H5 | 121.2° | 120.1° |
| C6 | C5 | C4 | H5 | 121.1° | 119.9° |
| C6 | C5 | O5 | HO5 | 5.7° | 180.0° |
| C6 | C5 | C4 | O4 | 178.4° | 177.0° |
| C6 | C5 | C4 | C3 | 55.8° | 57.0° |
| C6 | C5 | C4 | H4 | 59.3° | 62.9° |
| C6 | C7 | O7 | C8 | 121.6° | 120.0° |
| C6 | C7 | O7 | H7 | 120.6° | 120.0° |
| C6 | C7 | C8 | H7 | 120.6° | 120.0° |
| C6 | C7 | C8 | O8 | 63.4° | 175.0° |
| C6 | C7 | C8 | H81 | 176.6° | 55.0° |
| C6 | C7 | C8 | H82 | 57.4° | 65.0° |
| C6 | C7 | O7 | HO7 | 73.3° | 60.0° |
| C7 | C6 | C5 | O5 | 58.0° | 57.6° |
| C7 | C6 | C5 | C4 | 177.0° | 177.6° |
| C7 | C6 | C5 | H5 | 61.8° | 62.5° |
| H6 | C6 | C7 | O7 | 59.1° | 60.0° |
| H6 | C6 | C7 | C8 | 62.0° | 60.0° |
| H6 | C6 | C7 | H7 | 179.9° | 180.0° |
| H6 | C6 | C5 | O5 | 178.3° | 177.6° |
| H6 | C6 | C5 | C4 | 62.7° | 62.4° |
| H6 | C6 | C5 | H5 | 58.6° | 57.5° |
| O7 | C7 | C8 | H7 | 121.0° | 120.0° |
| O7 | C7 | C8 | O8 | 55.0° | 65.0° |
| O7 | C7 | C8 | H81 | 65.0° | 175.0° |
| O7 | C7 | C8 | H82 | 175.9° | 55.0° |
| C7 | C8 | O8 | H81 | 120.0° | 120.0° |
| C7 | C8 | O8 | H82 | 120.9° | 120.0° |
| C7 | C8 | H81 | H82 | 120.9° | 120.0° |
| C7 | C8 | O8 | HO8 | 2.8° | 180.0° |
| C8 | C7 | O7 | HO7 | 165.2° | 60.0° |
| H7 | C7 | C8 | O8 | 176.0° | 55.0° |
| H7 | C7 | C8 | H81 | 56.0° | 65.0° |
| H7 | C7 | C8 | H82 | 63.1° | 175.0° |
| H7 | C7 | O7 | HO7 | 47.4° | 180.0° |
| O8 | C8 | H81 | H82 | 120.9° | 120.0° |
| H81 | C8 | O8 | HO8 | 117.2° | 60.0° |
| H82 | C8 | O8 | HO8 | 123.7° | 59.9° |
| O5 | C5 | C4 | H5 | 119.8° | 120.2° |
| O5 | C5 | C4 | O4 | 62.5° | 57.0° |
| O5 | C5 | C4 | C3 | 63.3° | 62.9° |
| O5 | C5 | C4 | H4 | 178.5° | 177.2° |
| C4 | C5 | O5 | HO5 | 111.9° | 60.3° |
| C5 | C4 | O4 | C3 | 127.5° | 119.6° |
| C5 | C4 | O4 | H4 | 117.1° | 120.2° |
| C5 | C4 | C3 | H4 | 116.5° | 119.8° |
| C5 | C4 | O4 | HO4 | 80.3° | 180.0° |
| C5 | C4 | C3 | O3 | 72.2° | 62.9° |
| C5 | C4 | C3 | H31 | 169.7° | 176.9° |
| H5 | C5 | O5 | HO5 | 126.8° | 59.9° |
| H5 | C5 | C4 | O4 | 57.3° | 63.2° |
| H5 | C5 | C4 | C3 | 176.9° | 176.9° |
| H5 | C5 | C4 | H4 | 61.8° | 57.0° |
| O4 | C4 | C3 | H4 | 118.8° | 120.2° |
| O4 | C4 | C3 | O3 | 52.6° | 57.0° |
| O4 | C4 | C3 | H31 | 65.6° | 63.2° |
| C3 | C4 | O4 | HO4 | 47.2° | 60.4° |
| C4 | C3 | O3 | H31 | 118.0° | 120.2° |
| C4 | C3 | O3 | HO3 | 129.8° | 60.3° |
| H4 | C4 | O4 | HO4 | 162.7° | 59.8° |
| H4 | C4 | C3 | O3 | 171.4° | 177.2° |
| H4 | C4 | C3 | H31 | 53.2° | 57.0° |
| H31 | C3 | O3 | HO3 | 112.1° | 59.9° |
| O2 | C9 | C10 | C11 | 148.5° | 135.0° |
| O2 | C9 | C10 | H9 | 120.0° | 120.1° |
| O2 | C9 | C10 | H9A | 115.3° | 120.0° |
| O2 | C9 | C10 | H10 | 31.5° | 45.0° |
| O2 | C9 | H9 | H9A | 116.0° | 119.9° |
| C10 | C11 | H11 | H11A | 180.0° | 180.0° |
| C11 | C10 | C9 | H10 | 180.0° | 180.0° |
| C11 | C10 | C9 | H9 | 28.6° | 14.9° |
| C11 | C10 | C9 | H9A | 96.2° | 105.0° |
| H11 | C11 | C10 | C9 | 0.0° | 0.0° |
| H11 | C11 | C10 | H10 | 180.0° | 180.0° |
| H11A | C11 | C10 | C9 | 180.0° | 180.0° |
| H11A | C11 | C10 | H10 | 0.0° | 0.0° |
| C10 | C9 | H9 | H9A | 116.0° | 120.0° |
| H10 | C10 | C9 | H9 | 151.4° | 165.0° |
| H10 | C10 | C9 | H9A | 83.8° | 75.0° |
