KPC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAK | CAJ | sing | 1.51Å | 1.53Å | |
| CAK | HAK1 | sing | 1.09Å | 1.11Å | |
| CAK | HAK2 | sing | 1.09Å | 1.12Å | |
| CAK | HAK3 | sing | 1.09Å | 1.12Å | |
| CAJ | OAC | doub | 1.21Å | 1.23Å | |
| CAJ | CAI | sing | 1.51Å | 1.53Å | |
| CAI | SAH | sing | 1.81Å | 1.83Å | |
| CAI | HAI1 | sing | 1.09Å | 1.11Å | |
| CAI | HAI2 | sing | 1.09Å | 1.11Å | |
| SAH | CAG | sing | 1.81Å | 1.82Å | |
| CAG | CAF | sing | 1.53Å | 1.52Å | |
| CAG | HAG1 | sing | 1.09Å | 1.11Å | |
| CAG | HAG2 | sing | 1.09Å | 1.11Å | |
| CAF | SAE | sing | 1.81Å | 1.82Å | |
| CAF | HAF1 | sing | 1.09Å | 1.12Å | |
| CAF | HAF2 | sing | 1.09Å | 1.12Å | |
| SAE | OAD | doub | 1.42Å | 1.50Å | |
| SAE | OAL | sing | 1.52Å | 1.50Å | |
| SAE | OAB | doub | 1.42Å | 1.50Å | |
| OAL | HAL1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAJ | CAK | HAK1 | 120.0° | 109.5° |
| CAJ | CAK | HAK2 | 108.5° | 109.5° |
| CAJ | CAK | HAK3 | 108.4° | 109.5° |
| CAK | CAJ | OAC | 120.0° | 120.0° |
| CAK | CAJ | CAI | 119.7° | 120.0° |
| HAK1 | CAK | HAK2 | 108.5° | 109.5° |
| HAK1 | CAK | HAK3 | 108.5° | 109.5° |
| HAK2 | CAK | HAK3 | 101.5° | 109.5° |
| OAC | CAJ | CAI | 120.3° | 120.0° |
| CAJ | CAI | SAH | 111.6° | 109.5° |
| CAJ | CAI | HAI1 | 111.4° | 109.5° |
| CAJ | CAI | HAI2 | 111.4° | 109.5° |
| SAH | CAI | HAI1 | 111.4° | 109.5° |
| SAH | CAI | HAI2 | 111.4° | 109.5° |
| CAI | SAH | CAG | 100.6° | 100.0° |
| HAI1 | CAI | HAI2 | 99.0° | 109.5° |
| SAH | CAG | CAF | 112.8° | 109.6° |
| SAH | CAG | HAG1 | 111.0° | 109.5° |
| SAH | CAG | HAG2 | 111.0° | 109.5° |
| CAF | CAG | HAG1 | 110.9° | 109.4° |
| CAF | CAG | HAG2 | 111.0° | 109.4° |
| CAG | CAF | SAE | 111.9° | 109.6° |
| CAG | CAF | HAF1 | 111.3° | 109.4° |
| CAG | CAF | HAF2 | 111.3° | 109.4° |
| HAG1 | CAG | HAG2 | 99.4° | 109.4° |
| SAE | CAF | HAF1 | 111.3° | 109.5° |
| SAE | CAF | HAF2 | 111.3° | 109.5° |
| CAF | SAE | OAD | 108.8° | 111.6° |
| CAF | SAE | OAL | 109.5° | 103.2° |
| CAF | SAE | OAB | 109.5° | 111.6° |
| HAF1 | CAF | HAF2 | 99.0° | 109.4° |
| OAD | SAE | OAL | 109.8° | 102.8° |
| OAD | SAE | OAB | 110.0° | 122.1° |
| OAL | SAE | OAB | 109.2° | 102.8° |
| SAE | OAL | HAL1 | 109.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAJ | CAK | HAK1 | HAK2 | 125.3° | 120.0° |
| CAJ | CAK | HAK1 | HAK3 | 125.2° | 120.0° |
| CAJ | CAK | HAK2 | HAK3 | 114.1° | 120.0° |
| CAK | CAJ | OAC | CAI | 179.5° | 180.0° |
| CAK | CAJ | CAI | SAH | 172.7° | 180.0° |
| CAK | CAJ | CAI | HAI1 | 47.5° | 60.0° |
| CAK | CAJ | CAI | HAI2 | 62.0° | 60.0° |
| HAK1 | CAK | HAK2 | HAK3 | 114.1° | 120.0° |
| HAK1 | CAK | CAJ | OAC | 180.0° | 0.0° |
| HAK1 | CAK | CAJ | CAI | 0.4° | 180.0° |
| HAK2 | CAK | CAJ | OAC | 54.7° | 120.0° |
| HAK2 | CAK | CAJ | CAI | 125.8° | 60.0° |
| HAK3 | CAK | CAJ | OAC | 54.7° | 120.0° |
| HAK3 | CAK | CAJ | CAI | 124.8° | 60.0° |
| OAC | CAJ | CAI | SAH | 7.7° | 0.0° |
| OAC | CAJ | CAI | HAI1 | 133.0° | 120.0° |
| OAC | CAJ | CAI | HAI2 | 117.5° | 120.0° |
| CAJ | CAI | SAH | HAI1 | 125.2° | 120.0° |
| CAJ | CAI | SAH | HAI2 | 125.2° | 120.0° |
| CAJ | CAI | HAI1 | HAI2 | 117.3° | 120.0° |
| CAJ | CAI | SAH | CAG | 88.4° | 180.0° |
| SAH | CAI | HAI1 | HAI2 | 117.3° | 120.0° |
| CAI | SAH | CAG | CAF | 103.4° | 180.0° |
| CAI | SAH | CAG | HAG1 | 21.8° | 60.0° |
| CAI | SAH | CAG | HAG2 | 131.4° | 60.0° |
| HAI1 | CAI | SAH | CAG | 36.9° | 60.0° |
| HAI2 | CAI | SAH | CAG | 146.4° | 60.0° |
| SAH | CAG | CAF | HAG1 | 125.2° | 120.1° |
| SAH | CAG | CAF | HAG2 | 125.3° | 120.1° |
| SAH | CAG | HAG1 | HAG2 | 116.9° | 120.0° |
| SAH | CAG | CAF | SAE | 177.8° | 180.0° |
| SAH | CAG | CAF | HAF1 | 57.0° | 59.9° |
| SAH | CAG | CAF | HAF2 | 52.5° | 59.9° |
| CAF | CAG | HAG1 | HAG2 | 116.8° | 119.9° |
| CAG | CAF | SAE | HAF1 | 125.3° | 120.0° |
| CAG | CAF | SAE | HAF2 | 125.3° | 120.0° |
| CAG | CAF | HAF1 | HAF2 | 117.2° | 119.9° |
| CAG | CAF | SAE | OAD | 58.6° | 70.2° |
| CAG | CAF | SAE | OAL | 61.4° | 180.0° |
| CAG | CAF | SAE | OAB | 178.9° | 70.3° |
| HAG1 | CAG | CAF | SAE | 52.5° | 59.9° |
| HAG1 | CAG | CAF | HAF1 | 177.8° | 180.0° |
| HAG1 | CAG | CAF | HAF2 | 72.7° | 60.1° |
| HAG2 | CAG | CAF | SAE | 57.0° | 59.9° |
| HAG2 | CAG | CAF | HAF1 | 68.3° | 60.1° |
| HAG2 | CAG | CAF | HAF2 | 177.8° | 180.0° |
| SAE | CAF | HAF1 | HAF2 | 117.2° | 120.0° |
| CAF | SAE | OAD | OAL | 119.8° | 110.0° |
| CAF | SAE | OAD | OAB | 119.9° | 135.7° |
| CAF | SAE | OAL | OAB | 119.9° | 116.2° |
| CAF | SAE | OAL | HAL1 | 180.0° | 180.0° |
| HAF1 | CAF | SAE | OAD | 176.1° | 169.7° |
| HAF1 | CAF | SAE | OAL | 63.9° | 60.0° |
| HAF1 | CAF | SAE | OAB | 55.8° | 49.8° |
| HAF2 | CAF | SAE | OAD | 66.6° | 49.8° |
| HAF2 | CAF | SAE | OAL | 173.4° | 60.0° |
| HAF2 | CAF | SAE | OAB | 53.6° | 169.7° |
| OAD | SAE | OAL | OAB | 120.7° | 127.6° |
| OAD | SAE | OAL | HAL1 | 60.6° | 63.8° |
| OAB | SAE | OAL | HAL1 | 60.1° | 63.8° |
