KB8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FAB | CAU | sing | 1.40Å | 1.37Å | |
| CAU | FAC | sing | 1.40Å | 1.39Å | |
| CAU | FAD | sing | 1.40Å | 1.44Å | |
| CAU | CAP | sing | 1.51Å | 1.39Å | |
| CAP | CAG | doub | 1.39Å | 1.40Å | Aromatic |
| CAP | NAM | sing | 1.31Å | 1.34Å | Aromatic |
| CAG | CAQ | sing | 1.39Å | 1.40Å | Aromatic |
| NAM | CAR | doub | 1.34Å | 1.34Å | Aromatic |
| CAR | CAF | sing | 1.41Å | 1.39Å | Aromatic |
| CAR | CAS | sing | 1.41Å | 1.41Å | Aromatic |
| CAF | CAE | doub | 1.36Å | 1.39Å | Aromatic |
| CAE | CAO | sing | 1.39Å | 1.39Å | Aromatic |
| CAO | CAA | sing | 1.51Å | 1.39Å | |
| CAO | CAH | doub | 1.36Å | 1.40Å | Aromatic |
| CAH | CAS | sing | 1.40Å | 1.40Å | Aromatic |
| CAS | CAQ | doub | 1.42Å | 1.42Å | Aromatic |
| CAQ | NAT | sing | 1.39Å | 1.37Å | |
| NAT | CAK | sing | 1.47Å | 1.49Å | |
| NAT | CAL | sing | 1.47Å | 1.50Å | |
| CAK | CAI | sing | 1.53Å | 1.53Å | |
| CAI | NAN | sing | 1.47Å | 1.48Å | |
| NAN | CAJ | sing | 1.47Å | 1.45Å | |
| CAJ | CAL | sing | 1.53Å | 1.54Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CAI | HAI1 | sing | 1.09Å | 1.10Å | |
| CAI | HAI2 | sing | 1.09Å | 1.10Å | |
| NAN | HAN | sing | 1.01Å | 1.00Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FAB | CAU | FAC | 110.4° | 109.5° |
| FAB | CAU | FAD | 110.0° | 109.4° |
| FAB | CAU | CAP | 108.1° | 109.5° |
| FAC | CAU | FAD | 109.7° | 109.5° |
| FAC | CAU | CAP | 107.1° | 109.5° |
| FAD | CAU | CAP | 111.5° | 109.5° |
| CAU | CAP | CAG | 121.4° | 119.1° |
| CAU | CAP | NAM | 117.9° | 119.1° |
| CAG | CAP | NAM | 120.6° | 121.8° |
| CAP | CAG | CAQ | 120.9° | 119.7° |
| CAP | CAG | HAG | 119.5° | 120.2° |
| CAP | NAM | CAR | 120.7° | 121.7° |
| CAG | CAQ | CAS | 116.9° | 117.9° |
| CAG | CAQ | NAT | 116.9° | 121.0° |
| CAQ | CAG | HAG | 119.5° | 120.1° |
| NAM | CAR | CAF | 116.5° | 121.0° |
| NAM | CAR | CAS | 121.7° | 119.9° |
| CAF | CAR | CAS | 121.8° | 119.1° |
| CAR | CAF | CAE | 119.6° | 119.8° |
| CAR | CAF | HAF | 120.2° | 120.1° |
| CAR | CAS | CAH | 117.9° | 119.7° |
| CAR | CAS | CAQ | 119.1° | 119.0° |
| CAF | CAE | CAO | 119.8° | 121.0° |
| CAE | CAF | HAF | 120.2° | 120.1° |
| CAF | CAE | HAE | 120.1° | 119.4° |
| CAE | CAO | CAA | 118.6° | 119.6° |
| CAE | CAO | CAH | 120.6° | 120.8° |
| CAO | CAE | HAE | 120.1° | 119.5° |
| CAA | CAO | CAH | 120.8° | 119.6° |
| CAO | CAA | HAA1 | 109.5° | 109.5° |
| CAO | CAA | HAA2 | 109.5° | 109.4° |
| CAO | CAA | HAA3 | 109.5° | 109.5° |
| CAO | CAH | CAS | 120.3° | 119.6° |
| CAO | CAH | HAH | 119.9° | 120.1° |
| CAH | CAS | CAQ | 123.1° | 121.3° |
| CAS | CAH | HAH | 119.8° | 120.3° |
| CAS | CAQ | NAT | 126.2° | 121.1° |
| CAQ | NAT | CAK | 120.2° | 111.0° |
| CAQ | NAT | CAL | 122.2° | 111.0° |
| CAK | NAT | CAL | 116.6° | 110.9° |
| NAT | CAK | CAI | 113.0° | 109.4° |
| NAT | CAK | HAK1 | 108.6° | 109.5° |
| NAT | CAK | HAK2 | 108.6° | 109.4° |
| NAT | CAL | CAJ | 111.5° | 109.4° |
| NAT | CAL | HAL1 | 109.0° | 109.5° |
| NAT | CAL | HAL2 | 109.0° | 109.5° |
| CAK | CAI | NAN | 111.0° | 109.4° |
| CAI | CAK | HAK1 | 108.6° | 109.5° |
| CAI | CAK | HAK2 | 108.6° | 109.5° |
| CAK | CAI | HAI1 | 109.1° | 109.5° |
| CAK | CAI | HAI2 | 109.1° | 109.4° |
| CAI | NAN | CAJ | 109.6° | 110.9° |
| NAN | CAI | HAI1 | 109.1° | 109.5° |
| NAN | CAI | HAI2 | 109.1° | 109.5° |
| CAI | NAN | HAN | 109.5° | 111.0° |
| NAN | CAJ | CAL | 107.4° | 109.4° |
| CAJ | NAN | HAN | 109.4° | 111.0° |
| NAN | CAJ | HAJ1 | 110.0° | 109.5° |
| NAN | CAJ | HAJ2 | 110.0° | 109.5° |
| CAJ | CAL | HAL1 | 109.0° | 109.5° |
| CAJ | CAL | HAL2 | 109.0° | 109.5° |
| CAL | CAJ | HAJ1 | 110.0° | 109.5° |
| CAL | CAJ | HAJ2 | 110.0° | 109.5° |
| HAA1 | CAA | HAA2 | 109.4° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.4° | 109.4° |
| HAK1 | CAK | HAK2 | 109.5° | 109.5° |
| HAL1 | CAL | HAL2 | 109.5° | 109.5° |
| HAI1 | CAI | HAI2 | 109.5° | 109.5° |
| HAJ1 | CAJ | HAJ2 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FAB | CAU | FAC | FAD | 121.4° | 120.0° |
| FAB | CAU | FAC | CAP | 117.4° | 120.0° |
| FAB | CAU | FAD | CAP | 119.9° | 120.0° |
| FAB | CAU | CAP | CAG | 158.4° | 90.0° |
| FAB | CAU | CAP | NAM | 22.6° | 90.3° |
| FAC | CAU | FAD | CAP | 118.5° | 120.0° |
| FAC | CAU | CAP | CAG | 82.6° | 30.0° |
| FAC | CAU | CAP | NAM | 96.4° | 149.7° |
| FAD | CAU | CAP | CAG | 37.4° | 150.0° |
| FAD | CAU | CAP | NAM | 143.6° | 29.7° |
| CAU | CAP | CAG | NAM | 179.0° | 179.6° |
| CAU | CAP | CAG | CAQ | 179.0° | 180.0° |
| CAU | CAP | NAM | CAR | 180.0° | 180.0° |
| CAU | CAP | CAG | HAG | 1.0° | 0.1° |
| CAP | CAG | CAQ | HAG | 180.0° | 179.9° |
| CAG | CAP | NAM | CAR | 1.0° | 0.3° |
| CAP | CAG | CAQ | CAS | 0.4° | 0.1° |
| CAP | CAG | CAQ | NAT | 179.3° | 180.0° |
| NAM | CAP | CAG | CAQ | 0.0° | 0.4° |
| CAP | NAM | CAR | CAF | 179.4° | 179.9° |
| CAP | NAM | CAR | CAS | 1.4° | 0.0° |
| NAM | CAP | CAG | HAG | 180.0° | 179.8° |
| CAG | CAQ | CAS | CAR | 0.1° | 0.2° |
| CAG | CAQ | CAS | CAH | 179.6° | 179.9° |
| CAG | CAQ | CAS | NAT | 178.7° | 179.9° |
| CAG | CAQ | NAT | CAK | 42.9° | 59.9° |
| CAG | CAQ | NAT | CAL | 125.4° | 63.8° |
| NAM | CAR | CAF | CAS | 179.3° | 180.0° |
| NAM | CAR | CAF | CAE | 179.6° | 180.0° |
| NAM | CAR | CAS | CAH | 179.4° | 180.0° |
| NAM | CAR | CAS | CAQ | 0.9° | 0.2° |
| NAM | CAR | CAF | HAF | 0.4° | 0.1° |
| CAR | CAF | CAE | HAF | 180.0° | 179.9° |
| CAR | CAF | CAE | CAO | 0.4° | 0.1° |
| CAF | CAR | CAS | CAH | 0.2° | 0.0° |
| CAF | CAR | CAS | CAQ | 179.9° | 179.8° |
| CAR | CAF | CAE | HAE | 179.6° | 180.0° |
| CAS | CAR | CAF | CAE | 0.4° | 0.1° |
| CAR | CAS | CAH | CAO | 0.1° | 0.0° |
| CAR | CAS | CAH | CAQ | 179.7° | 179.7° |
| CAR | CAS | CAQ | NAT | 178.7° | 179.7° |
| CAS | CAR | CAF | HAF | 179.6° | 180.0° |
| CAR | CAS | CAH | HAH | 179.9° | 180.0° |
| CAF | CAE | CAO | HAE | 180.0° | 179.9° |
| CAF | CAE | CAO | CAA | 180.0° | 180.0° |
| CAF | CAE | CAO | CAH | 0.3° | 0.0° |
| CAE | CAO | CAA | CAH | 179.6° | 180.0° |
| CAE | CAO | CAH | CAS | 0.2° | 0.0° |
| CAO | CAE | CAF | HAF | 179.6° | 180.0° |
| CAE | CAO | CAA | HAA1 | 89.9° | 90.0° |
| CAE | CAO | CAA | HAA2 | 150.2° | 150.0° |
| CAE | CAO | CAA | HAA3 | 30.2° | 30.0° |
| CAE | CAO | CAH | HAH | 179.8° | 180.0° |
| CAA | CAO | CAH | CAS | 179.8° | 180.0° |
| CAA | CAO | CAE | HAE | 0.0° | 0.1° |
| CAO | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CAO | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| CAO | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| CAA | CAO | CAH | HAH | 0.2° | 0.0° |
| CAO | CAH | CAS | HAH | 180.0° | 180.0° |
| CAO | CAH | CAS | CAQ | 179.8° | 179.8° |
| CAH | CAO | CAE | HAE | 179.6° | 179.9° |
| CAH | CAO | CAA | HAA1 | 89.8° | 90.0° |
| CAH | CAO | CAA | HAA2 | 30.2° | 30.0° |
| CAH | CAO | CAA | HAA3 | 150.2° | 150.0° |
| CAH | CAS | CAQ | NAT | 0.9° | 0.0° |
| CAS | CAQ | NAT | CAK | 138.4° | 120.0° |
| CAS | CAQ | NAT | CAL | 53.3° | 116.2° |
| CAS | CAQ | CAG | HAG | 179.5° | 179.9° |
| CAQ | CAS | CAH | HAH | 0.2° | 0.3° |
| CAQ | NAT | CAK | CAL | 168.9° | 123.9° |
| CAQ | NAT | CAK | CAI | 154.0° | 176.8° |
| CAQ | NAT | CAL | CAJ | 148.7° | 176.8° |
| NAT | CAQ | CAG | HAG | 0.7° | 0.1° |
| CAQ | NAT | CAK | HAK1 | 85.5° | 63.2° |
| CAQ | NAT | CAK | HAK2 | 33.5° | 56.8° |
| CAQ | NAT | CAL | HAL1 | 28.4° | 56.8° |
| CAQ | NAT | CAL | HAL2 | 91.0° | 63.2° |
| NAT | CAK | CAI | HAK1 | 120.5° | 120.0° |
| NAT | CAK | CAI | HAK2 | 120.5° | 119.9° |
| NAT | CAK | CAI | NAN | 45.9° | 58.4° |
| CAK | NAT | CAL | CAJ | 42.6° | 59.3° |
| NAT | CAK | HAK1 | HAK2 | 118.4° | 120.0° |
| CAK | NAT | CAL | HAL1 | 162.9° | 179.3° |
| CAK | NAT | CAL | HAL2 | 77.7° | 60.7° |
| NAT | CAK | CAI | HAI1 | 166.1° | 178.4° |
| NAT | CAK | CAI | HAI2 | 74.3° | 61.5° |
| CAL | NAT | CAK | CAI | 37.0° | 59.3° |
| NAT | CAL | CAJ | NAN | 56.9° | 58.4° |
| NAT | CAL | CAJ | HAL1 | 120.3° | 120.0° |
| NAT | CAL | CAJ | HAL2 | 120.3° | 120.0° |
| CAL | NAT | CAK | HAK1 | 83.5° | 60.6° |
| CAL | NAT | CAK | HAK2 | 157.6° | 179.3° |
| NAT | CAL | HAL1 | HAL2 | 119.1° | 120.1° |
| NAT | CAL | CAJ | HAJ1 | 176.6° | 178.4° |
| NAT | CAL | CAJ | HAJ2 | 62.8° | 61.5° |
| CAK | CAI | NAN | HAI1 | 120.2° | 120.0° |
| CAK | CAI | NAN | HAI2 | 120.2° | 119.9° |
| CAK | CAI | NAN | CAJ | 63.5° | 59.3° |
| CAI | CAK | HAK1 | HAK2 | 118.4° | 120.1° |
| CAK | CAI | HAI1 | HAI2 | 119.3° | 120.0° |
| CAK | CAI | NAN | HAN | 56.5° | 64.5° |
| CAI | NAN | CAJ | HAN | 120.0° | 123.9° |
| CAI | NAN | CAJ | CAL | 68.3° | 59.3° |
| NAN | CAI | CAK | HAK1 | 74.6° | 61.5° |
| NAN | CAI | CAK | HAK2 | 166.4° | 178.3° |
| NAN | CAI | HAI1 | HAI2 | 119.3° | 120.1° |
| CAI | NAN | CAJ | HAJ1 | 172.0° | 179.3° |
| CAI | NAN | CAJ | HAJ2 | 51.4° | 60.6° |
| NAN | CAJ | CAL | HAJ1 | 119.7° | 120.0° |
| NAN | CAJ | CAL | HAJ2 | 119.7° | 120.0° |
| NAN | CAJ | CAL | HAL1 | 177.2° | 178.4° |
| NAN | CAJ | CAL | HAL2 | 63.4° | 61.6° |
| CAJ | NAN | CAI | HAI1 | 176.2° | 179.3° |
| CAJ | NAN | CAI | HAI2 | 56.7° | 60.6° |
| NAN | CAJ | HAJ1 | HAJ2 | 120.9° | 120.0° |
| CAJ | CAL | HAL1 | HAL2 | 119.1° | 120.0° |
| CAL | CAJ | NAN | HAN | 51.7° | 64.5° |
| CAL | CAJ | HAJ1 | HAJ2 | 120.9° | 120.1° |
| HAF | CAF | CAE | HAE | 0.5° | 0.1° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAK1 | CAK | CAI | HAI1 | 45.6° | 58.4° |
| HAK1 | CAK | CAI | HAI2 | 165.1° | 178.5° |
| HAK2 | CAK | CAI | HAI1 | 73.3° | 61.7° |
| HAK2 | CAK | CAI | HAI2 | 46.2° | 58.4° |
| HAL1 | CAL | CAJ | HAJ1 | 63.1° | 61.6° |
| HAL1 | CAL | CAJ | HAJ2 | 57.5° | 58.4° |
| HAL2 | CAL | CAJ | HAJ1 | 56.3° | 58.4° |
| HAL2 | CAL | CAJ | HAJ2 | 176.9° | 178.4° |
| HAI1 | CAI | NAN | HAN | 63.8° | 55.4° |
| HAI2 | CAI | NAN | HAN | 176.7° | 175.5° |
| HAN | NAN | CAJ | HAJ1 | 68.0° | 55.4° |
| HAN | NAN | CAJ | HAJ2 | 171.4° | 175.5° |
