KDP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAH | PAP | sing | 1.61Å | 1.52Å | |
| PAP | OAC | sing | 1.61Å | 1.51Å | |
| PAP | OAG | doub | 1.48Å | 1.51Å | |
| PAP | OAK | sing | 1.61Å | 1.62Å | |
| OAK | CAI | sing | 1.43Å | 1.44Å | |
| CAI | CAN | sing | 1.53Å | 1.54Å | |
| CAN | OAD | sing | 1.43Å | 1.42Å | |
| CAN | CAO | sing | 1.53Å | 1.55Å | |
| CAO | OAE | sing | 1.43Å | 1.40Å | |
| CAO | CAJ | sing | 1.53Å | 1.54Å | |
| CAJ | CAM | sing | 1.51Å | 1.55Å | |
| CAM | CAL | sing | 1.49Å | 1.56Å | |
| CAM | OXT | doub | 1.21Å | 1.32Å | |
| CAL | OAA | sing | 1.35Å | 1.25Å | |
| CAL | OAF | doub | 1.21Å | 1.22Å | |
| OAH | HAH | sing | 0.97Å | 0.95Å | |
| OAC | HAC | sing | 0.97Å | 0.95Å | |
| CAI | HAI1 | sing | 1.09Å | 1.10Å | |
| CAI | HAI2 | sing | 1.09Å | 1.10Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| OAD | HAD | sing | 0.97Å | 0.95Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| OAE | HAE | sing | 0.97Å | 0.95Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
| OAA | HAA | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAH | PAP | OAC | 108.9° | 109.5° |
| OAH | PAP | OAG | 109.5° | 109.5° |
| OAH | PAP | OAK | 110.9° | 109.5° |
| PAP | OAH | HAH | 109.5° | 114.0° |
| OAC | PAP | OAG | 108.3° | 109.5° |
| OAC | PAP | OAK | 109.7° | 109.5° |
| PAP | OAC | HAC | 109.5° | 114.0° |
| OAG | PAP | OAK | 109.5° | 109.5° |
| PAP | OAK | CAI | 121.0° | 123.0° |
| OAK | CAI | CAN | 112.5° | 109.5° |
| OAK | CAI | HAI1 | 108.5° | 109.4° |
| OAK | CAI | HAI2 | 107.8° | 109.4° |
| CAI | CAN | OAD | 107.4° | 109.5° |
| CAI | CAN | CAO | 111.0° | 109.5° |
| CAN | CAI | HAI1 | 108.5° | 109.5° |
| CAN | CAI | HAI2 | 107.8° | 109.5° |
| CAI | CAN | HAN | 111.0° | 109.4° |
| OAD | CAN | CAO | 112.7° | 109.5° |
| OAD | CAN | HAN | 109.2° | 109.5° |
| CAN | OAD | HAD | 109.5° | 114.0° |
| CAN | CAO | OAE | 109.7° | 109.4° |
| CAN | CAO | CAJ | 113.5° | 109.5° |
| CAO | CAN | HAN | 105.6° | 109.5° |
| CAN | CAO | HAO | 106.1° | 109.5° |
| OAE | CAO | CAJ | 108.0° | 109.5° |
| OAE | CAO | HAO | 111.8° | 109.5° |
| CAO | OAE | HAE | 109.5° | 114.0° |
| CAO | CAJ | CAM | 121.5° | 109.4° |
| CAJ | CAO | HAO | 107.9° | 109.5° |
| CAO | CAJ | HAJ1 | 105.7° | 109.5° |
| CAO | CAJ | HAJ2 | 102.8° | 109.5° |
| CAJ | CAM | CAL | 120.6° | 120.0° |
| CAJ | CAM | OXT | 124.7° | 120.0° |
| CAM | CAJ | HAJ1 | 105.6° | 109.5° |
| CAM | CAJ | HAJ2 | 102.8° | 109.5° |
| CAL | CAM | OXT | 114.7° | 120.0° |
| CAM | CAL | OAA | 122.0° | 120.0° |
| CAM | CAL | OAF | 121.1° | 120.0° |
| OAA | CAL | OAF | 116.8° | 120.0° |
| CAL | OAA | HAA | 109.5° | 116.9° |
| HAI1 | CAI | HAI2 | 111.8° | 109.5° |
| HAJ1 | CAJ | HAJ2 | 119.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAH | PAP | OAC | OAG | 119.0° | 120.0° |
| OAH | PAP | OAC | OAK | 121.5° | 120.0° |
| OAH | PAP | OAG | OAK | 121.8° | 120.0° |
| OAH | PAP | OAK | CAI | 50.5° | 65.0° |
| OAH | PAP | OAC | HAC | 136.1° | 60.0° |
| OAC | PAP | OAG | OAK | 119.6° | 120.0° |
| OAC | PAP | OAK | CAI | 170.8° | 175.0° |
| OAC | PAP | OAH | HAH | 124.8° | 60.0° |
| OAG | PAP | OAK | CAI | 70.5° | 55.0° |
| OAG | PAP | OAH | HAH | 116.9° | 180.0° |
| OAG | PAP | OAC | HAC | 104.8° | 60.0° |
| PAP | OAK | CAI | CAN | 116.3° | 180.0° |
| OAK | PAP | OAH | HAH | 4.1° | 60.0° |
| OAK | PAP | OAC | HAC | 14.7° | 180.0° |
| PAP | OAK | CAI | HAI1 | 123.7° | 60.0° |
| PAP | OAK | CAI | HAI2 | 2.4° | 59.9° |
| OAK | CAI | CAN | HAI1 | 120.0° | 120.0° |
| OAK | CAI | CAN | HAI2 | 118.7° | 120.0° |
| OAK | CAI | CAN | OAD | 56.0° | 65.0° |
| OAK | CAI | CAN | CAO | 67.6° | 175.0° |
| OAK | CAI | HAI1 | HAI2 | 118.7° | 119.9° |
| OAK | CAI | CAN | HAN | 175.4° | 55.0° |
| CAI | CAN | OAD | CAO | 122.5° | 120.0° |
| CAI | CAN | OAD | HAN | 120.5° | 119.9° |
| CAI | CAN | CAO | HAN | 120.3° | 120.0° |
| CAI | CAN | CAO | OAE | 131.9° | 55.0° |
| CAI | CAN | CAO | CAJ | 107.3° | 175.0° |
| CAN | CAI | HAI1 | HAI2 | 118.8° | 120.0° |
| CAI | CAN | OAD | HAD | 4.4° | 60.0° |
| CAI | CAN | CAO | HAO | 11.0° | 65.0° |
| OAD | CAN | CAO | HAN | 119.1° | 120.0° |
| OAD | CAN | CAO | OAE | 11.4° | 65.0° |
| OAD | CAN | CAO | CAJ | 132.2° | 55.0° |
| OAD | CAN | CAI | HAI1 | 176.0° | 55.0° |
| OAD | CAN | CAI | HAI2 | 62.7° | 175.0° |
| OAD | CAN | CAO | HAO | 109.6° | 175.0° |
| CAN | CAO | OAE | CAJ | 124.1° | 120.0° |
| CAN | CAO | OAE | HAO | 117.4° | 120.0° |
| CAN | CAO | CAJ | HAO | 117.2° | 120.0° |
| CAN | CAO | CAJ | CAM | 162.9° | 175.0° |
| CAO | CAN | CAI | HAI1 | 52.5° | 65.0° |
| CAO | CAN | CAI | HAI2 | 173.8° | 55.0° |
| CAO | CAN | OAD | HAD | 126.9° | 60.0° |
| CAN | CAO | OAE | HAE | 52.7° | 60.0° |
| CAN | CAO | CAJ | HAJ1 | 77.1° | 55.0° |
| CAN | CAO | CAJ | HAJ2 | 48.9° | 65.0° |
| OAE | CAO | CAJ | HAO | 121.0° | 120.1° |
| OAE | CAO | CAJ | CAM | 41.1° | 65.0° |
| OAE | CAO | CAN | HAN | 107.8° | 175.0° |
| OAE | CAO | CAJ | HAJ1 | 161.1° | 175.0° |
| OAE | CAO | CAJ | HAJ2 | 72.9° | 55.0° |
| CAO | CAJ | CAM | HAJ1 | 120.0° | 120.0° |
| CAO | CAJ | CAM | HAJ2 | 113.9° | 120.0° |
| CAO | CAJ | CAM | CAL | 87.3° | 180.0° |
| CAO | CAJ | CAM | OXT | 93.4° | 0.0° |
| CAJ | CAO | CAN | HAN | 13.0° | 65.0° |
| CAJ | CAO | OAE | HAE | 176.7° | 60.0° |
| CAO | CAJ | HAJ1 | HAJ2 | 115.0° | 120.0° |
| CAJ | CAM | CAL | OXT | 179.3° | 180.0° |
| CAJ | CAM | CAL | OAA | 165.2° | 180.0° |
| CAJ | CAM | CAL | OAF | 15.1° | 0.0° |
| CAM | CAJ | CAO | HAO | 79.9° | 55.0° |
| CAM | CAJ | HAJ1 | HAJ2 | 115.0° | 120.0° |
| CAM | CAL | OAA | OAF | 179.8° | 180.0° |
| CAL | CAM | CAJ | HAJ1 | 152.7° | 60.0° |
| CAL | CAM | CAJ | HAJ2 | 26.6° | 60.0° |
| CAM | CAL | OAA | HAA | 179.8° | 180.0° |
| OXT | CAM | CAL | OAA | 14.2° | 0.0° |
| OXT | CAM | CAL | OAF | 165.6° | 180.0° |
| OXT | CAM | CAJ | HAJ1 | 26.6° | 120.0° |
| OXT | CAM | CAJ | HAJ2 | 152.6° | 120.0° |
| OAF | CAL | OAA | HAA | 0.0° | 0.0° |
| HAI1 | CAI | CAN | HAN | 64.6° | 175.0° |
| HAI2 | CAI | CAN | HAN | 56.7° | 65.0° |
| HAN | CAN | OAD | HAD | 116.1° | 179.9° |
| HAN | CAN | CAO | HAO | 131.3° | 54.9° |
| HAO | CAO | OAE | HAE | 64.7° | 180.0° |
| HAO | CAO | CAJ | HAJ1 | 40.1° | 65.0° |
| HAO | CAO | CAJ | HAJ2 | 166.1° | 175.1° |
