KG1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C5 | O5 | sing | 1.43Å | 1.43Å | |
| C8 | C7 | trip | 1.17Å | 1.27Å | |
| C7 | CM | sing | 1.47Å | 1.26Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| CM | O1 | sing | 1.43Å | 1.45Å | |
| O5 | C1 | sing | 1.43Å | 1.42Å | |
| O1 | C1 | sing | 1.43Å | 1.42Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | O2 | sing | 1.43Å | 1.41Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| CM | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.05Å | 1.06Å | |
| CM | H6 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | C4 | 113.1° | 109.4° |
| C6 | C5 | O5 | 108.1° | 109.5° |
| C6 | C5 | H5 | 108.4° | 109.5° |
| C5 | C6 | H61 | 109.5° | 109.5° |
| C5 | C6 | H62 | 109.5° | 109.4° |
| C5 | C6 | H63 | 109.5° | 109.5° |
| C4 | C5 | O5 | 109.6° | 109.4° |
| C5 | C4 | O4 | 112.5° | 109.5° |
| C5 | C4 | C3 | 109.7° | 109.1° |
| C5 | C4 | H4 | 108.4° | 109.6° |
| C4 | C5 | H5 | 108.0° | 109.5° |
| C5 | O5 | C1 | 113.8° | 114.1° |
| O5 | C5 | H5 | 109.6° | 109.5° |
| C8 | C7 | CM | 177.2° | 179.9° |
| C7 | C8 | H14 | 180.0° | 179.9° |
| C7 | CM | O1 | 117.7° | 109.5° |
| C7 | CM | H12 | 107.4° | 109.5° |
| C7 | CM | H6 | 107.4° | 109.5° |
| O4 | C4 | C3 | 107.7° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O4 | C4 | H4 | 109.9° | 109.6° |
| C4 | C3 | O3 | 108.4° | 109.6° |
| C4 | C3 | C2 | 109.4° | 109.0° |
| C3 | C4 | H4 | 108.6° | 109.5° |
| C4 | C3 | H3 | 110.1° | 109.5° |
| CM | O1 | C1 | 119.4° | 114.0° |
| O1 | CM | H12 | 107.4° | 109.5° |
| O1 | CM | H6 | 107.4° | 109.5° |
| O5 | C1 | O1 | 111.4° | 109.5° |
| O5 | C1 | C2 | 109.0° | 109.4° |
| O5 | C1 | H1 | 109.7° | 109.4° |
| O1 | C1 | C2 | 108.5° | 109.5° |
| O1 | C1 | H1 | 109.8° | 109.5° |
| O3 | C3 | C2 | 107.0° | 109.5° |
| O3 | C3 | H3 | 111.7° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C2 | C1 | 111.3° | 109.2° |
| C3 | C2 | O2 | 108.0° | 109.5° |
| C2 | C3 | H3 | 110.2° | 109.6° |
| C3 | C2 | H2 | 108.6° | 109.5° |
| C1 | C2 | O2 | 110.3° | 109.5° |
| C1 | C2 | H2 | 108.6° | 109.6° |
| C2 | C1 | H1 | 108.5° | 109.5° |
| O2 | C2 | H2 | 110.1° | 109.6° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.4° | 109.5° |
| H61 | C6 | H63 | 109.5° | 109.5° |
| H62 | C6 | H63 | 109.5° | 109.5° |
| H12 | CM | H6 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | C4 | O5 | 120.7° | 120.0° |
| C6 | C5 | C4 | H5 | 120.0° | 119.9° |
| C6 | C5 | O5 | H5 | 117.9° | 120.1° |
| C6 | C5 | C4 | O4 | 57.4° | 57.8° |
| C6 | C5 | C4 | C3 | 177.2° | 177.6° |
| C6 | C5 | O5 | C1 | 174.6° | 178.9° |
| C6 | C5 | C4 | H4 | 64.3° | 62.5° |
| C5 | C6 | H61 | H62 | 120.0° | 120.0° |
| C5 | C6 | H61 | H63 | 120.0° | 120.0° |
| C5 | C6 | H62 | H63 | 120.0° | 119.9° |
| C4 | C5 | O5 | H5 | 118.4° | 120.0° |
| C5 | C4 | O4 | C3 | 121.0° | 119.6° |
| C5 | C4 | O4 | H4 | 120.9° | 120.3° |
| C5 | C4 | C3 | H4 | 118.3° | 120.0° |
| C4 | C5 | O5 | C1 | 61.7° | 61.2° |
| C5 | C4 | C3 | O3 | 170.1° | 176.8° |
| C5 | C4 | C3 | C2 | 53.7° | 57.0° |
| C5 | C4 | O4 | HO4 | 180.0° | 60.4° |
| C4 | C5 | C6 | H61 | 180.0° | 60.0° |
| C4 | C5 | C6 | H62 | 60.0° | 180.0° |
| C4 | C5 | C6 | H63 | 60.0° | 60.1° |
| C5 | C4 | C3 | H3 | 67.5° | 62.9° |
| O5 | C5 | C4 | O4 | 63.3° | 62.2° |
| O5 | C5 | C4 | C3 | 56.5° | 57.6° |
| C5 | O5 | C1 | O1 | 58.4° | 58.8° |
| C5 | O5 | C1 | C2 | 61.3° | 61.2° |
| O5 | C5 | C4 | H4 | 175.0° | 177.5° |
| O5 | C5 | C6 | H61 | 58.4° | 179.9° |
| O5 | C5 | C6 | H62 | 61.5° | 60.1° |
| O5 | C5 | C6 | H63 | 178.5° | 59.9° |
| C5 | O5 | C1 | H1 | 179.9° | 178.9° |
| C8 | C7 | CM | O1 | 68.6° | 169.0° |
| C8 | C7 | CM | H12 | 52.5° | 71.0° |
| C8 | C7 | CM | H6 | 170.2° | 49.0° |
| C7 | CM | O1 | H12 | 121.2° | 120.0° |
| C7 | CM | O1 | H6 | 121.2° | 120.0° |
| C7 | CM | O1 | C1 | 169.9° | 180.0° |
| C7 | CM | H12 | H6 | 116.2° | 120.0° |
| CM | C7 | C8 | H14 | 139.3° | 169.5° |
| O4 | C4 | C3 | H4 | 119.0° | 120.2° |
| O4 | C4 | C3 | O3 | 47.3° | 56.9° |
| O4 | C4 | C3 | C2 | 69.0° | 62.9° |
| O4 | C4 | C5 | H5 | 177.4° | 177.7° |
| O4 | C4 | C3 | H3 | 169.8° | 177.2° |
| C4 | C3 | O3 | C2 | 117.9° | 119.5° |
| C4 | C3 | O3 | H3 | 121.5° | 120.2° |
| C4 | C3 | C2 | H3 | 121.2° | 119.9° |
| C4 | C3 | C2 | C1 | 54.6° | 57.0° |
| C4 | C3 | C2 | O2 | 175.8° | 176.9° |
| C3 | C4 | O4 | HO4 | 59.0° | 180.0° |
| C3 | C4 | C5 | H5 | 62.8° | 62.4° |
| C4 | C3 | O3 | HO3 | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 64.9° | 63.0° |
| CM | O1 | C1 | O5 | 66.4° | 65.0° |
| CM | O1 | C1 | C2 | 173.6° | 175.1° |
| CM | O1 | C1 | H1 | 55.3° | 55.0° |
| O1 | CM | H12 | H6 | 116.3° | 120.0° |
| O5 | C1 | O1 | C2 | 120.0° | 119.9° |
| O5 | C1 | O1 | H1 | 121.7° | 120.0° |
| O5 | C1 | C2 | C3 | 56.7° | 57.6° |
| O5 | C1 | C2 | H1 | 119.4° | 119.9° |
| O5 | C1 | C2 | O2 | 176.6° | 177.5° |
| C1 | O5 | C5 | H5 | 56.7° | 58.8° |
| O5 | C1 | C2 | H2 | 62.7° | 62.3° |
| O1 | C1 | C2 | C3 | 64.7° | 62.4° |
| O1 | C1 | C2 | H1 | 119.2° | 120.1° |
| O1 | C1 | C2 | O2 | 55.2° | 57.5° |
| O1 | C1 | C2 | H2 | 175.8° | 177.7° |
| C1 | O1 | CM | H12 | 68.9° | 60.0° |
| C1 | O1 | CM | H6 | 48.8° | 60.0° |
| O3 | C3 | C2 | H3 | 121.6° | 120.3° |
| O3 | C3 | C2 | C1 | 171.8° | 176.9° |
| O3 | C3 | C2 | O2 | 67.0° | 63.2° |
| O3 | C3 | C4 | H4 | 71.6° | 63.2° |
| O3 | C3 | C2 | H2 | 52.4° | 56.9° |
| C3 | C2 | C1 | O2 | 119.8° | 119.9° |
| C3 | C2 | C1 | H2 | 119.5° | 120.0° |
| C3 | C2 | O2 | H2 | 118.4° | 120.1° |
| C2 | C3 | C4 | H4 | 172.0° | 176.9° |
| C2 | C3 | O3 | HO3 | 62.1° | 60.4° |
| C3 | C2 | O2 | HO2 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1 | 176.1° | 177.6° |
| C1 | C2 | O2 | H2 | 119.8° | 120.2° |
| C1 | C2 | C3 | H3 | 66.6° | 62.9° |
| C1 | C2 | O2 | HO2 | 58.2° | 60.3° |
| O2 | C2 | C3 | H3 | 54.6° | 57.0° |
| O2 | C2 | C1 | H1 | 64.0° | 62.6° |
| HO4 | O4 | C4 | H4 | 59.1° | 59.9° |
| H4 | C4 | C5 | H5 | 55.6° | 57.4° |
| H4 | C4 | C3 | H3 | 50.8° | 57.0° |
| H5 | C5 | C6 | H61 | 60.3° | 60.0° |
| H5 | C5 | C6 | H62 | 179.8° | 60.1° |
| H5 | C5 | C6 | H63 | 59.8° | 180.0° |
| H61 | C6 | H62 | H63 | 120.0° | 120.1° |
| H3 | C3 | O3 | HO3 | 58.5° | 59.8° |
| H3 | C3 | C2 | H2 | 174.0° | 177.2° |
| H2 | C2 | O2 | HO2 | 61.6° | 59.9° |
| H2 | C2 | C1 | H1 | 56.7° | 57.6° |
