KN1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAP | sing | 1.39Å | 1.40Å | Aromatic |
| OAB | CAP | sing | 1.36Å | 1.36Å | |
| CAK | CAR | sing | 1.39Å | 1.39Å | Aromatic |
| CAP | CAM | doub | 1.39Å | 1.40Å | Aromatic |
| CAL | CAH | doub | 1.37Å | 1.40Å | Aromatic |
| CAL | CAU | sing | 1.40Å | 1.40Å | Aromatic |
| CAH | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
| CAR | CAS | sing | 1.48Å | 1.39Å | Aromatic |
| CAR | CAQ | doub | 1.40Å | 1.38Å | Aromatic |
| CAM | CAQ | sing | 1.38Å | 1.37Å | Aromatic |
| CAU | CAS | sing | 1.47Å | 1.39Å | Aromatic |
| CAU | CAV | doub | 1.41Å | 1.40Å | Aromatic |
| CAJ | CAT | doub | 1.37Å | 1.40Å | Aromatic |
| CAS | NAO | doub | 1.31Å | 1.33Å | Aromatic |
| CAQ | OAC | sing | 1.36Å | 1.36Å | |
| CAV | CAT | sing | 1.39Å | 1.41Å | Aromatic |
| CAV | NAW | sing | 1.37Å | 1.35Å | Aromatic |
| CAT | CAX | sing | 1.51Å | 1.51Å | |
| NAO | NAW | sing | 1.40Å | 1.23Å | Aromatic |
| NAW | CAN | sing | 1.46Å | 1.46Å | |
| FAF | CAX | sing | 1.40Å | 1.28Å | |
| CAX | FAD | sing | 1.40Å | 1.34Å | |
| CAX | FAE | sing | 1.40Å | 1.33Å | |
| CAG | CAN | sing | 1.51Å | 1.40Å | |
| CAG | CAA | doub | 1.31Å | 1.39Å | |
| CAA | HAA1 | sing | 1.08Å | 1.08Å | |
| CAA | HAA2 | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAK | CAI | CAP | 119.8° | 120.2° |
| CAI | CAK | CAR | 120.4° | 120.0° |
| CAI | CAK | HAK | 119.8° | 120.0° |
| CAK | CAI | HAI | 120.1° | 119.9° |
| CAI | CAP | OAB | 122.1° | 119.9° |
| CAI | CAP | CAM | 119.2° | 120.2° |
| CAP | CAI | HAI | 120.1° | 119.9° |
| OAB | CAP | CAM | 118.7° | 119.9° |
| CAP | OAB | HOAB | 109.5° | 114.0° |
| CAK | CAR | CAS | 123.9° | 120.1° |
| CAK | CAR | CAQ | 119.4° | 119.8° |
| CAR | CAK | HAK | 119.8° | 120.0° |
| CAP | CAM | CAQ | 120.5° | 120.0° |
| CAP | CAM | HAM | 119.8° | 120.0° |
| CAH | CAL | CAU | 119.4° | 119.7° |
| CAL | CAH | CAJ | 119.3° | 120.6° |
| CAL | CAH | HAH | 120.4° | 119.7° |
| CAH | CAL | HAL | 120.3° | 120.1° |
| CAL | CAU | CAS | 134.2° | 134.0° |
| CAL | CAU | CAV | 121.3° | 119.7° |
| CAU | CAL | HAL | 120.3° | 120.2° |
| CAH | CAJ | CAT | 121.8° | 120.8° |
| CAH | CAJ | HAJ | 119.1° | 119.6° |
| CAJ | CAH | HAH | 120.3° | 119.7° |
| CAS | CAR | CAQ | 116.7° | 120.1° |
| CAR | CAS | CAU | 126.5° | 126.2° |
| CAR | CAS | NAO | 125.3° | 126.3° |
| CAR | CAQ | CAM | 120.7° | 119.8° |
| CAR | CAQ | OAC | 121.2° | 120.1° |
| CAM | CAQ | OAC | 118.0° | 120.1° |
| CAQ | CAM | HAM | 119.8° | 120.0° |
| CAS | CAU | CAV | 104.5° | 106.3° |
| CAU | CAS | NAO | 108.0° | 107.5° |
| CAU | CAV | CAT | 119.1° | 119.4° |
| CAU | CAV | NAW | 104.6° | 106.9° |
| CAJ | CAT | CAV | 119.0° | 119.8° |
| CAJ | CAT | CAX | 114.9° | 120.1° |
| CAT | CAJ | HAJ | 119.1° | 119.6° |
| CAS | NAO | NAW | 109.6° | 110.0° |
| CAQ | OAC | HOAC | 109.5° | 114.0° |
| CAT | CAV | NAW | 136.4° | 133.7° |
| CAV | CAT | CAX | 125.8° | 120.1° |
| CAV | NAW | NAO | 113.2° | 109.2° |
| CAV | NAW | CAN | 127.9° | 125.4° |
| CAT | CAX | FAF | 124.7° | 109.5° |
| CAT | CAX | FAD | 104.4° | 109.5° |
| CAT | CAX | FAE | 107.5° | 109.5° |
| NAO | NAW | CAN | 118.8° | 125.4° |
| NAW | CAN | CAG | 106.7° | 109.5° |
| NAW | CAN | HAN1 | 110.4° | 109.4° |
| NAW | CAN | HAN2 | 111.0° | 109.5° |
| FAF | CAX | FAD | 91.5° | 109.5° |
| FAF | CAX | FAE | 119.4° | 109.5° |
| FAD | CAX | FAE | 104.1° | 109.5° |
| CAN | CAG | CAA | 121.5° | 119.9° |
| CAN | CAG | HAG | 119.3° | 120.0° |
| CAG | CAN | HAN1 | 110.4° | 109.4° |
| CAG | CAN | HAN2 | 111.0° | 109.5° |
| CAG | CAA | HAA1 | 109.2° | 120.0° |
| CAG | CAA | HAA2 | 125.4° | 120.1° |
| CAA | CAG | HAG | 119.3° | 120.1° |
| HAA1 | CAA | HAA2 | 125.4° | 120.0° |
| HAN1 | CAN | HAN2 | 107.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAK | CAI | CAP | HAI | 180.0° | 179.9° |
| CAK | CAI | CAP | OAB | 179.4° | 180.0° |
| CAI | CAK | CAR | HAK | 180.0° | 180.0° |
| CAK | CAI | CAP | CAM | 0.1° | 0.1° |
| CAI | CAK | CAR | CAS | 178.0° | 180.0° |
| CAI | CAK | CAR | CAQ | 0.9° | 0.2° |
| CAI | CAP | OAB | CAM | 179.5° | 180.0° |
| CAP | CAI | CAK | CAR | 0.3° | 0.1° |
| CAI | CAP | CAM | CAQ | 0.4° | 0.2° |
| CAP | CAI | CAK | HAK | 179.7° | 179.9° |
| CAI | CAP | OAB | HOAB | 16.4° | 90.0° |
| CAI | CAP | CAM | HAM | 179.6° | 180.0° |
| OAB | CAP | CAM | CAQ | 179.1° | 179.7° |
| OAB | CAP | CAI | HAI | 0.6° | 0.0° |
| OAB | CAP | CAM | HAM | 1.0° | 0.0° |
| CAK | CAR | CAS | CAQ | 177.1° | 179.7° |
| CAK | CAR | CAQ | CAM | 1.3° | 0.5° |
| CAK | CAR | CAS | CAU | 29.4° | 47.1° |
| CAK | CAR | CAS | NAO | 155.7° | 133.1° |
| CAK | CAR | CAQ | OAC | 178.8° | 179.7° |
| CAR | CAK | CAI | HAI | 179.7° | 180.0° |
| CAP | CAM | CAQ | CAR | 1.0° | 0.5° |
| CAP | CAM | CAQ | HAM | 180.0° | 179.7° |
| CAP | CAM | CAQ | OAC | 179.0° | 179.7° |
| CAM | CAP | CAI | HAI | 179.9° | 180.0° |
| CAM | CAP | OAB | HOAB | 164.1° | 90.0° |
| CAH | CAL | CAU | HAL | 180.0° | 180.0° |
| CAL | CAH | CAJ | HAH | 180.0° | 179.9° |
| CAH | CAL | CAU | CAS | 178.9° | 179.7° |
| CAH | CAL | CAU | CAV | 0.6° | 0.1° |
| CAL | CAH | CAJ | CAT | 0.7° | 0.0° |
| CAL | CAH | CAJ | HAJ | 179.3° | 180.0° |
| CAU | CAL | CAH | CAJ | 0.9° | 0.0° |
| CAL | CAU | CAS | CAR | 4.2° | 0.1° |
| CAL | CAU | CAS | CAV | 178.5° | 179.7° |
| CAL | CAU | CAS | NAO | 179.8° | 179.7° |
| CAL | CAU | CAV | CAT | 1.1° | 0.1° |
| CAL | CAU | CAV | NAW | 179.4° | 180.0° |
| CAU | CAL | CAH | HAH | 179.1° | 179.9° |
| CAH | CAJ | CAT | HAJ | 180.0° | 180.0° |
| CAH | CAJ | CAT | CAV | 2.4° | 0.0° |
| CAH | CAJ | CAT | CAX | 176.6° | 180.0° |
| CAJ | CAH | CAL | HAL | 179.1° | 180.0° |
| CAS | CAR | CAQ | CAM | 178.5° | 179.7° |
| CAR | CAS | CAU | NAO | 175.6° | 179.8° |
| CAR | CAS | CAU | CAV | 177.3° | 179.8° |
| CAS | CAR | CAQ | OAC | 1.5° | 0.0° |
| CAR | CAS | NAO | NAW | 176.6° | 180.0° |
| CAS | CAR | CAK | HAK | 2.0° | 0.0° |
| CAR | CAQ | CAM | OAC | 179.9° | 179.8° |
| CAQ | CAR | CAS | CAU | 147.7° | 133.2° |
| CAQ | CAR | CAS | NAO | 27.2° | 46.6° |
| CAQ | CAR | CAK | HAK | 179.1° | 179.8° |
| CAR | CAQ | CAM | HAM | 178.9° | 179.7° |
| CAR | CAQ | OAC | HOAC | 87.2° | 90.1° |
| CAM | CAQ | OAC | HOAC | 92.8° | 89.7° |
| CAS | CAU | CAV | CAT | 177.6° | 179.8° |
| CAS | CAU | CAV | NAW | 1.9° | 0.2° |
| CAU | CAS | NAO | NAW | 0.9° | 0.2° |
| CAS | CAU | CAL | HAL | 1.0° | 0.3° |
| CAU | CAV | CAT | CAJ | 2.6° | 0.0° |
| CAV | CAU | CAS | NAO | 1.7° | 0.0° |
| CAU | CAV | CAT | NAW | 179.3° | 179.9° |
| CAU | CAV | CAT | CAX | 176.1° | 179.9° |
| CAU | CAV | NAW | NAO | 1.5° | 0.3° |
| CAU | CAV | NAW | CAN | 177.9° | 180.0° |
| CAV | CAU | CAL | HAL | 179.3° | 180.0° |
| CAJ | CAT | CAV | CAX | 173.5° | 179.9° |
| CAJ | CAT | CAV | NAW | 178.1° | 179.9° |
| CAJ | CAT | CAX | FAF | 42.0° | 114.4° |
| CAJ | CAT | CAX | FAD | 144.1° | 5.6° |
| CAJ | CAT | CAX | FAE | 105.6° | 125.6° |
| CAT | CAJ | CAH | HAH | 179.3° | 180.0° |
| CAS | NAO | NAW | CAV | 0.4° | 0.3° |
| CAS | NAO | NAW | CAN | 177.2° | 180.0° |
| OAC | CAQ | CAM | HAM | 1.0° | 0.0° |
| CAT | CAV | NAW | NAO | 177.9° | 179.7° |
| CAT | CAV | NAW | CAN | 1.5° | 0.1° |
| CAV | CAT | CAX | FAF | 144.3° | 65.5° |
| CAV | CAT | CAX | FAD | 42.1° | 174.5° |
| CAV | CAT | CAX | FAE | 68.1° | 54.5° |
| CAV | CAT | CAJ | HAJ | 177.6° | 180.0° |
| NAW | CAV | CAT | CAX | 4.6° | 0.0° |
| CAV | NAW | NAO | CAN | 176.8° | 179.7° |
| CAV | NAW | CAN | CAG | 93.0° | 96.1° |
| CAV | NAW | CAN | HAN1 | 27.0° | 23.9° |
| CAV | NAW | CAN | HAN2 | 145.9° | 143.9° |
| CAT | CAX | FAF | FAD | 108.7° | 120.0° |
| CAT | CAX | FAF | FAE | 144.1° | 120.0° |
| CAT | CAX | FAD | FAE | 112.7° | 120.0° |
| CAX | CAT | CAJ | HAJ | 3.4° | 0.1° |
| NAO | NAW | CAN | CAG | 83.2° | 83.6° |
| NAO | NAW | CAN | HAN1 | 156.8° | 156.5° |
| NAO | NAW | CAN | HAN2 | 37.9° | 36.5° |
| NAW | CAN | CAG | HAN1 | 120.0° | 119.9° |
| NAW | CAN | CAG | HAN2 | 121.1° | 120.0° |
| NAW | CAN | CAG | CAA | 129.4° | 125.4° |
| NAW | CAN | CAG | HAG | 50.6° | 54.6° |
| NAW | CAN | HAN1 | HAN2 | 121.1° | 120.0° |
| FAF | CAX | FAD | FAE | 120.8° | 120.0° |
| CAN | CAG | CAA | HAG | 180.0° | 180.0° |
| CAN | CAG | CAA | HAA1 | 180.0° | 175.0° |
| CAN | CAG | CAA | HAA2 | 0.0° | 5.3° |
| CAG | CAN | HAN1 | HAN2 | 121.1° | 120.0° |
| CAG | CAA | HAA1 | HAA2 | 180.0° | 179.7° |
| CAA | CAG | CAN | HAN1 | 110.6° | 114.6° |
| CAA | CAG | CAN | HAN2 | 8.3° | 5.4° |
| HAA1 | CAA | CAG | HAG | 0.0° | 5.0° |
| HAA2 | CAA | CAG | HAG | 180.0° | 174.7° |
| HAG | CAG | CAN | HAN1 | 69.4° | 65.3° |
| HAG | CAG | CAN | HAN2 | 171.7° | 174.6° |
| HAJ | CAJ | CAH | HAH | 0.7° | 0.0° |
| HAH | CAH | CAL | HAL | 0.9° | 0.0° |
| HAK | CAK | CAI | HAI | 0.3° | 0.0° |
