1KH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | sing | 1.43Å | 1.35Å | |
| O4 | C4 | sing | 1.43Å | 1.25Å | |
| C3 | C4 | sing | 1.53Å | 1.30Å | |
| C3 | C2 | sing | 1.53Å | 1.48Å | |
| O2 | C2 | sing | 1.43Å | 1.43Å | |
| C4 | O5 | sing | 1.43Å | 1.24Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | C1P | sing | 1.53Å | 1.53Å | |
| O3P | AS | sing | 1.84Å | 1.75Å | |
| C1P | AS | sing | 1.99Å | 1.71Å | |
| AS | O2P | doub | 1.58Å | 1.70Å | |
| AS | O4P | sing | 1.84Å | 1.75Å | |
| O5 | H1 | sing | 0.97Å | 0.95Å | |
| O4 | H2 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | H4 | sing | 0.97Å | 0.95Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| O2 | H6 | sing | 0.97Å | 0.95Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| O1 | H8 | sing | 0.97Å | 0.95Å | |
| C1P | H9 | sing | 1.09Å | 1.10Å | |
| C1P | H10 | sing | 1.09Å | 1.10Å | |
| O4P | H12 | sing | 0.97Å | 0.95Å | |
| O3P | H13 | sing | 0.97Å | 0.95Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | C4 | 110.8° | 109.4° |
| O3 | C3 | C2 | 109.5° | 109.5° |
| O3 | C3 | H3 | 108.8° | 109.4° |
| C3 | O3 | H4 | 109.5° | 114.0° |
| O4 | C4 | C3 | 111.8° | 109.5° |
| O4 | C4 | O5 | 116.5° | 109.5° |
| C4 | O4 | H2 | 109.5° | 114.0° |
| O4 | C4 | H14 | 106.0° | 109.5° |
| C4 | C3 | C2 | 111.1° | 109.5° |
| C3 | C4 | O5 | 110.4° | 109.5° |
| C4 | C3 | H3 | 109.5° | 109.4° |
| C3 | C4 | H14 | 105.3° | 109.4° |
| C3 | C2 | O2 | 100.9° | 109.4° |
| C3 | C2 | C1 | 117.6° | 109.5° |
| C2 | C3 | H3 | 107.0° | 109.5° |
| C3 | C2 | H5 | 110.4° | 109.5° |
| O2 | C2 | C1 | 106.3° | 109.5° |
| O2 | C2 | H5 | 111.3° | 109.5° |
| C2 | O2 | H6 | 109.5° | 114.0° |
| C4 | O5 | H1 | 109.5° | 114.0° |
| O5 | C4 | H14 | 106.1° | 109.4° |
| C2 | C1 | O1 | 100.7° | 109.5° |
| C2 | C1 | C1P | 113.0° | 109.5° |
| C1 | C2 | H5 | 109.9° | 109.4° |
| C2 | C1 | H7 | 114.1° | 109.5° |
| O1 | C1 | C1P | 97.6° | 109.4° |
| O1 | C1 | H7 | 115.8° | 109.4° |
| C1 | O1 | H8 | 109.5° | 114.0° |
| C1 | C1P | AS | 114.1° | 109.5° |
| C1P | C1 | H7 | 113.9° | 109.5° |
| C1 | C1P | H9 | 108.3° | 109.4° |
| C1 | C1P | H10 | 108.3° | 109.5° |
| O3P | AS | C1P | 108.7° | 109.5° |
| O3P | AS | O2P | 114.2° | 109.5° |
| O3P | AS | O4P | 107.0° | 109.5° |
| AS | O3P | H13 | 109.5° | 114.0° |
| C1P | AS | O2P | 109.1° | 109.4° |
| C1P | AS | O4P | 112.4° | 109.5° |
| AS | C1P | H9 | 108.3° | 109.4° |
| AS | C1P | H10 | 108.3° | 109.5° |
| O2P | AS | O4P | 105.5° | 109.5° |
| AS | O4P | H12 | 109.5° | 114.0° |
| H9 | C1P | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | C4 | O4 | 82.8° | 55.0° |
| O3 | C3 | C4 | C2 | 121.9° | 120.0° |
| O3 | C3 | C4 | H3 | 120.0° | 119.9° |
| O3 | C3 | C2 | H3 | 117.8° | 120.0° |
| O3 | C3 | C2 | O2 | 67.3° | 65.0° |
| O3 | C3 | C4 | O5 | 48.5° | 175.0° |
| O3 | C3 | C2 | C1 | 177.7° | 55.0° |
| O3 | C3 | C2 | H5 | 50.4° | 175.0° |
| O3 | C3 | C4 | H14 | 162.6° | 65.1° |
| O4 | C4 | C3 | O5 | 131.3° | 120.0° |
| O4 | C4 | C3 | H14 | 114.6° | 120.0° |
| O4 | C4 | C3 | C2 | 155.2° | 175.0° |
| O4 | C4 | O5 | H14 | 117.6° | 120.0° |
| O4 | C4 | O5 | H1 | 180.0° | 60.0° |
| O4 | C4 | C3 | H3 | 37.2° | 65.0° |
| C4 | C3 | C2 | H3 | 119.5° | 120.0° |
| C4 | C3 | C2 | O2 | 170.0° | 55.0° |
| C3 | C4 | O5 | H14 | 113.6° | 120.0° |
| C4 | C3 | C2 | C1 | 55.0° | 175.0° |
| C3 | C4 | O5 | H1 | 51.1° | 60.0° |
| C3 | C4 | O4 | H2 | 180.0° | 180.0° |
| C4 | C3 | O3 | H4 | 180.0° | 60.1° |
| C4 | C3 | C2 | H5 | 72.3° | 65.0° |
| C3 | C2 | O2 | C1 | 123.2° | 120.0° |
| C3 | C2 | O2 | H5 | 117.2° | 120.0° |
| C2 | C3 | C4 | O5 | 73.4° | 65.0° |
| C3 | C2 | C1 | H5 | 127.5° | 120.0° |
| C3 | C2 | C1 | O1 | 147.5° | 55.0° |
| C3 | C2 | C1 | C1P | 109.5° | 175.0° |
| C2 | C3 | O3 | H4 | 57.1° | 60.0° |
| C3 | C2 | O2 | H6 | 180.0° | 60.0° |
| C3 | C2 | C1 | H7 | 22.7° | 65.0° |
| C2 | C3 | C4 | H14 | 40.6° | 55.0° |
| O2 | C2 | C1 | H5 | 120.5° | 120.0° |
| O2 | C2 | C1 | O1 | 35.5° | 65.0° |
| O2 | C2 | C1 | C1P | 138.5° | 55.0° |
| O2 | C2 | C3 | H3 | 50.5° | 175.0° |
| O2 | C2 | C1 | H7 | 89.2° | 175.0° |
| O5 | C4 | O4 | H2 | 51.8° | 60.0° |
| O5 | C4 | C3 | H3 | 168.5° | 55.1° |
| C2 | C1 | O1 | C1P | 115.2° | 120.0° |
| C2 | C1 | O1 | H7 | 123.6° | 120.0° |
| C2 | C1 | C1P | H7 | 132.4° | 120.1° |
| C2 | C1 | C1P | AS | 106.6° | 175.0° |
| C1 | C2 | C3 | H3 | 64.5° | 65.0° |
| C1 | C2 | O2 | H6 | 56.8° | 60.0° |
| C2 | C1 | O1 | H8 | 180.0° | 60.0° |
| C2 | C1 | C1P | H9 | 14.1° | 55.0° |
| C2 | C1 | C1P | H10 | 132.7° | 65.0° |
| O1 | C1 | C1P | H7 | 122.6° | 119.9° |
| O1 | C1 | C1P | AS | 148.3° | 65.0° |
| O1 | C1 | C2 | H5 | 85.0° | 175.0° |
| O1 | C1 | C1P | H9 | 91.0° | 175.0° |
| O1 | C1 | C1P | H10 | 27.7° | 55.0° |
| C1 | C1P | AS | O3P | 72.3° | 180.0° |
| C1 | C1P | AS | H9 | 120.7° | 120.0° |
| C1 | C1P | AS | H10 | 120.7° | 120.1° |
| C1 | C1P | AS | O2P | 162.6° | 60.0° |
| C1 | C1P | AS | O4P | 45.9° | 60.0° |
| C1P | C1 | C2 | H5 | 18.0° | 65.0° |
| C1P | C1 | O1 | H8 | 64.8° | 60.1° |
| C1 | C1P | H9 | H10 | 117.9° | 120.0° |
| O3P | AS | C1P | O2P | 125.1° | 120.0° |
| O3P | AS | C1P | O4P | 118.2° | 120.0° |
| O3P | AS | O2P | O4P | 117.1° | 120.0° |
| O3P | AS | C1P | H9 | 48.4° | 60.1° |
| O3P | AS | C1P | H10 | 167.0° | 59.9° |
| O3P | AS | O4P | H12 | 121.9° | 60.0° |
| C1P | AS | O2P | O4P | 121.0° | 120.0° |
| AS | C1P | C1 | H7 | 25.7° | 54.9° |
| AS | C1P | H9 | H10 | 117.9° | 120.0° |
| C1P | AS | O4P | H12 | 118.8° | 60.0° |
| C1P | AS | O3P | H13 | 122.1° | 180.0° |
| O2P | AS | C1P | H9 | 76.7° | 180.0° |
| O2P | AS | C1P | H10 | 41.9° | 60.0° |
| O2P | AS | O4P | H12 | 0.0° | 180.0° |
| O2P | AS | O3P | H13 | 0.0° | 60.1° |
| O4P | AS | C1P | H9 | 166.6° | 60.0° |
| O4P | AS | C1P | H10 | 74.8° | 180.0° |
| O4P | AS | O3P | H13 | 116.2° | 59.9° |
| H1 | O5 | C4 | H14 | 62.4° | 179.9° |
| H2 | O4 | C4 | H14 | 65.8° | 60.0° |
| H3 | C3 | O3 | H4 | 59.6° | 180.0° |
| H3 | C3 | C2 | H5 | 168.3° | 55.0° |
| H3 | C3 | C4 | H14 | 77.4° | 175.0° |
| H5 | C2 | O2 | H6 | 62.8° | 180.0° |
| H5 | C2 | C1 | H7 | 150.2° | 55.0° |
| H7 | C1 | O1 | H8 | 56.4° | 180.0° |
| H7 | C1 | C1P | H9 | 146.4° | 65.0° |
| H7 | C1 | C1P | H10 | 95.0° | 175.0° |
