K71
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAQ | OAI | sing | 1.43Å | 1.43Å | |
| OAI | CAC | sing | 1.43Å | 1.43Å | |
| OAJ | CAB | sing | 1.43Å | 1.45Å | |
| CAB | CAC | sing | 1.53Å | 1.55Å | |
| CAB | CAA | sing | 1.53Å | 1.54Å | |
| CAC | CAD | sing | 1.53Å | 1.54Å | |
| OAN | CAK | sing | 1.43Å | 1.43Å | |
| CAD | CAE | sing | 1.53Å | 1.53Å | |
| CAK | CAA | sing | 1.53Å | 1.54Å | |
| CAK | CAO | sing | 1.53Å | 1.53Å | |
| CAA | OAF | sing | 1.43Å | 1.44Å | |
| OAF | CAE | sing | 1.43Å | 1.45Å | |
| CAE | OAH | sing | 1.43Å | 1.44Å | |
| CAE | CAG | sing | 1.51Å | 1.52Å | |
| CAO | OAP | sing | 1.43Å | 1.44Å | |
| OAL | CAG | doub | 1.21Å | 1.24Å | |
| CAG | OAM | sing | 1.34Å | 1.25Å | |
| CAQ | H1 | sing | 1.09Å | 1.10Å | |
| CAQ | H2 | sing | 1.09Å | 1.10Å | |
| CAQ | H3 | sing | 1.09Å | 1.10Å | |
| CAC | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| OAJ | H6 | sing | 0.97Å | 0.95Å | |
| CAD | H7 | sing | 1.09Å | 1.10Å | |
| CAD | H8 | sing | 1.09Å | 1.10Å | |
| OAM | H9 | sing | 0.97Å | 0.95Å | |
| OAH | H10 | sing | 0.97Å | 0.95Å | |
| CAA | H11 | sing | 1.09Å | 1.10Å | |
| CAK | H12 | sing | 1.09Å | 1.10Å | |
| OAN | H13 | sing | 0.97Å | 0.95Å | |
| CAO | H14 | sing | 1.09Å | 1.10Å | |
| CAO | H15 | sing | 1.09Å | 1.10Å | |
| OAP | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAQ | OAI | CAC | 111.3° | 114.0° |
| OAI | CAQ | H1 | 109.5° | 109.4° |
| OAI | CAQ | H2 | 109.5° | 109.4° |
| OAI | CAQ | H3 | 109.5° | 109.5° |
| OAI | CAC | CAB | 111.8° | 109.5° |
| OAI | CAC | CAD | 106.6° | 109.6° |
| OAI | CAC | H4 | 109.9° | 109.5° |
| OAJ | CAB | CAC | 110.8° | 109.5° |
| OAJ | CAB | CAA | 109.7° | 109.5° |
| OAJ | CAB | H5 | 110.2° | 109.6° |
| CAB | OAJ | H6 | 109.5° | 114.0° |
| CAC | CAB | CAA | 108.1° | 109.2° |
| CAB | CAC | CAD | 111.8° | 109.0° |
| CAB | CAC | H4 | 108.3° | 109.6° |
| CAC | CAB | H5 | 108.9° | 109.5° |
| CAB | CAA | CAK | 112.6° | 109.5° |
| CAB | CAA | OAF | 108.5° | 109.4° |
| CAA | CAB | H5 | 109.1° | 109.5° |
| CAB | CAA | H11 | 109.8° | 109.5° |
| CAC | CAD | CAE | 111.3° | 109.2° |
| CAD | CAC | H4 | 108.4° | 109.5° |
| CAC | CAD | H7 | 109.0° | 109.5° |
| CAC | CAD | H8 | 109.0° | 109.5° |
| OAN | CAK | CAA | 110.8° | 109.5° |
| OAN | CAK | CAO | 112.0° | 109.5° |
| OAN | CAK | H12 | 109.0° | 109.4° |
| CAK | OAN | H13 | 109.5° | 114.0° |
| CAD | CAE | OAF | 108.7° | 109.4° |
| CAD | CAE | OAH | 110.9° | 109.5° |
| CAD | CAE | CAG | 107.9° | 109.5° |
| CAE | CAD | H7 | 109.0° | 109.5° |
| CAE | CAD | H8 | 109.0° | 109.5° |
| CAA | CAK | CAO | 109.5° | 109.4° |
| CAK | CAA | OAF | 105.1° | 109.5° |
| CAK | CAA | H11 | 109.6° | 109.5° |
| CAA | CAK | H12 | 107.6° | 109.5° |
| CAK | CAO | OAP | 105.1° | 109.4° |
| CAO | CAK | H12 | 107.8° | 109.5° |
| CAK | CAO | H14 | 110.6° | 109.4° |
| CAK | CAO | H15 | 110.6° | 109.5° |
| CAA | OAF | CAE | 114.7° | 114.1° |
| OAF | CAA | H11 | 111.2° | 109.5° |
| OAF | CAE | OAH | 112.2° | 109.5° |
| OAF | CAE | CAG | 107.0° | 109.5° |
| OAH | CAE | CAG | 110.0° | 109.5° |
| CAE | OAH | H10 | 109.5° | 113.9° |
| CAE | CAG | OAL | 115.8° | 120.0° |
| CAE | CAG | OAM | 118.1° | 120.0° |
| OAP | CAO | H14 | 110.5° | 109.5° |
| OAP | CAO | H15 | 110.5° | 109.5° |
| CAO | OAP | H16 | 109.5° | 114.0° |
| OAL | CAG | OAM | 125.9° | 120.0° |
| CAG | OAM | H9 | 109.5° | 116.9° |
| H1 | CAQ | H2 | 109.5° | 109.5° |
| H1 | CAQ | H3 | 109.5° | 109.5° |
| H2 | CAQ | H3 | 109.5° | 109.5° |
| H7 | CAD | H8 | 109.5° | 109.6° |
| H14 | CAO | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAQ | OAI | CAC | CAB | 77.8° | 150.4° |
| CAQ | OAI | CAC | CAD | 159.7° | 90.0° |
| OAI | CAQ | H1 | H2 | 120.0° | 119.9° |
| OAI | CAQ | H1 | H3 | 120.0° | 120.0° |
| OAI | CAQ | H2 | H3 | 120.0° | 120.0° |
| CAQ | OAI | CAC | H4 | 42.5° | 30.2° |
| OAI | CAC | CAB | OAJ | 52.9° | 57.0° |
| OAI | CAC | CAB | CAD | 119.5° | 119.9° |
| OAI | CAC | CAB | H4 | 121.2° | 120.2° |
| OAI | CAC | CAB | CAA | 173.2° | 176.9° |
| OAI | CAC | CAD | H4 | 118.2° | 120.2° |
| OAI | CAC | CAD | CAE | 173.5° | 176.9° |
| CAC | OAI | CAQ | H1 | 180.0° | 60.0° |
| CAC | OAI | CAQ | H2 | 60.0° | 180.0° |
| CAC | OAI | CAQ | H3 | 60.0° | 60.0° |
| OAI | CAC | CAB | H5 | 68.5° | 63.2° |
| OAI | CAC | CAD | H7 | 53.3° | 57.0° |
| OAI | CAC | CAD | H8 | 66.2° | 63.2° |
| OAJ | CAB | CAC | CAA | 120.3° | 119.9° |
| OAJ | CAB | CAC | H5 | 121.4° | 120.2° |
| OAJ | CAB | CAA | H5 | 120.8° | 120.2° |
| OAJ | CAB | CAC | CAD | 66.6° | 62.9° |
| OAJ | CAB | CAA | CAK | 53.8° | 57.7° |
| OAJ | CAB | CAA | OAF | 62.1° | 62.3° |
| OAJ | CAB | CAC | H4 | 174.1° | 177.2° |
| OAJ | CAB | CAA | H11 | 176.3° | 177.7° |
| CAC | CAB | CAA | H5 | 118.2° | 119.9° |
| CAB | CAC | CAD | H4 | 119.3° | 119.9° |
| CAB | CAC | CAD | CAE | 51.0° | 57.0° |
| CAC | CAB | CAA | CAK | 174.8° | 177.6° |
| CAC | CAB | CAA | OAF | 58.9° | 57.6° |
| CAC | CAB | OAJ | H6 | 180.0° | 60.0° |
| CAB | CAC | CAD | H7 | 69.2° | 62.9° |
| CAB | CAC | CAD | H8 | 171.3° | 176.9° |
| CAC | CAB | CAA | H11 | 62.8° | 62.4° |
| CAA | CAB | CAC | CAD | 53.7° | 57.0° |
| CAB | CAA | CAK | OAN | 64.4° | 60.0° |
| CAB | CAA | CAK | OAF | 117.9° | 119.9° |
| CAB | CAA | CAK | H11 | 122.5° | 120.0° |
| CAB | CAA | CAK | CAO | 171.6° | 180.0° |
| CAB | CAA | OAF | H11 | 120.8° | 120.0° |
| CAB | CAA | OAF | CAE | 66.0° | 61.2° |
| CAA | CAB | CAC | H4 | 65.7° | 62.9° |
| CAA | CAB | OAJ | H6 | 60.7° | 179.7° |
| CAB | CAA | CAK | H12 | 54.7° | 60.0° |
| CAC | CAD | CAE | H7 | 120.3° | 119.9° |
| CAC | CAD | CAE | H8 | 120.3° | 119.9° |
| CAC | CAD | CAE | OAF | 51.7° | 57.6° |
| CAC | CAD | CAE | OAH | 72.0° | 62.4° |
| CAC | CAD | CAE | CAG | 167.4° | 177.6° |
| CAD | CAC | CAB | H5 | 172.0° | 176.9° |
| CAC | CAD | H7 | H8 | 119.2° | 120.1° |
| OAN | CAK | CAA | CAO | 124.0° | 120.0° |
| OAN | CAK | CAA | H12 | 119.1° | 120.0° |
| OAN | CAK | CAO | H12 | 119.9° | 120.0° |
| OAN | CAK | CAA | OAF | 177.7° | 179.9° |
| OAN | CAK | CAO | OAP | 63.3° | 65.0° |
| OAN | CAK | CAA | H11 | 58.2° | 60.0° |
| OAN | CAK | CAO | H14 | 55.9° | 175.0° |
| OAN | CAK | CAO | H15 | 177.4° | 55.0° |
| CAD | CAE | OAF | CAA | 61.4° | 61.2° |
| CAD | CAE | OAF | OAH | 123.0° | 120.0° |
| CAD | CAE | OAF | CAG | 116.3° | 120.0° |
| CAD | CAE | OAH | CAG | 119.3° | 120.0° |
| CAD | CAE | CAG | OAL | 91.7° | 125.0° |
| CAD | CAE | CAG | OAM | 84.7° | 55.0° |
| CAE | CAD | CAC | H4 | 68.3° | 63.0° |
| CAE | CAD | H7 | H8 | 119.1° | 120.2° |
| CAD | CAE | OAH | H10 | 180.0° | 179.9° |
| CAA | CAK | CAO | H12 | 116.8° | 120.0° |
| CAK | CAA | OAF | H11 | 118.5° | 120.0° |
| CAK | CAA | OAF | CAE | 173.4° | 178.8° |
| CAA | CAK | CAO | OAP | 59.9° | 175.0° |
| CAK | CAA | CAB | H5 | 67.0° | 62.5° |
| CAA | CAK | OAN | H13 | 180.0° | 60.0° |
| CAA | CAK | CAO | H14 | 179.2° | 55.0° |
| CAA | CAK | CAO | H15 | 59.4° | 65.0° |
| CAO | CAK | CAA | OAF | 53.7° | 60.1° |
| CAK | CAO | OAP | H14 | 119.3° | 120.0° |
| CAK | CAO | OAP | H15 | 119.3° | 120.0° |
| CAO | CAK | CAA | H11 | 65.9° | 60.0° |
| CAO | CAK | OAN | H13 | 57.4° | 60.0° |
| CAK | CAO | H14 | H15 | 122.1° | 120.0° |
| CAK | CAO | OAP | H16 | 180.0° | 179.9° |
| CAA | OAF | CAE | OAH | 61.6° | 58.8° |
| CAA | OAF | CAE | CAG | 177.7° | 178.8° |
| OAF | CAA | CAB | H5 | 177.1° | 177.5° |
| OAF | CAA | CAK | H12 | 63.2° | 59.9° |
| OAF | CAE | OAH | CAG | 119.0° | 120.1° |
| OAF | CAE | CAG | OAL | 25.2° | 115.1° |
| OAF | CAE | CAG | OAM | 158.5° | 65.0° |
| OAF | CAE | CAD | H7 | 68.6° | 62.3° |
| OAF | CAE | CAD | H8 | 172.0° | 177.5° |
| OAF | CAE | OAH | H10 | 58.3° | 60.0° |
| CAE | OAF | CAA | H11 | 54.8° | 58.8° |
| OAH | CAE | CAG | OAL | 147.3° | 5.0° |
| OAH | CAE | CAG | OAM | 36.3° | 175.0° |
| OAH | CAE | CAD | H7 | 167.7° | 177.7° |
| OAH | CAE | CAD | H8 | 48.2° | 57.5° |
| CAE | CAG | OAL | OAM | 176.1° | 179.9° |
| CAG | CAE | CAD | H7 | 47.1° | 57.7° |
| CAG | CAE | CAD | H8 | 72.3° | 62.5° |
| CAE | CAG | OAM | H9 | 176.0° | 180.0° |
| CAG | CAE | OAH | H10 | 60.7° | 60.0° |
| OAP | CAO | CAK | H12 | 176.7° | 55.0° |
| OAP | CAO | H14 | H15 | 122.0° | 120.1° |
| OAL | CAG | OAM | H9 | 0.0° | 0.0° |
| H1 | CAQ | H2 | H3 | 120.0° | 120.1° |
| H4 | CAC | CAB | H5 | 52.7° | 57.0° |
| H4 | CAC | CAD | H7 | 171.5° | 177.1° |
| H4 | CAC | CAD | H8 | 52.0° | 56.9° |
| H5 | CAB | OAJ | H6 | 59.4° | 60.1° |
| H5 | CAB | CAA | H11 | 55.4° | 57.5° |
| H11 | CAA | CAK | H12 | 177.3° | 180.0° |
| H12 | CAK | OAN | H13 | 61.8° | 180.0° |
| H12 | CAK | CAO | H14 | 64.0° | 65.0° |
| H12 | CAK | CAO | H15 | 57.4° | 175.0° |
| H14 | CAO | OAP | H16 | 60.7° | 60.0° |
| H15 | CAO | OAP | H16 | 60.7° | 60.1° |
