KN2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAN | sing | 1.36Å | 1.34Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| CAN | CAH | doub | 1.38Å | 1.38Å | Aromatic |
| CAN | CAO | sing | 1.40Å | 1.40Å | Aromatic |
| CAH | CAL | sing | 1.39Å | 1.37Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAL | OAA | sing | 1.36Å | 1.37Å | |
| CAL | CAD | doub | 1.39Å | 1.38Å | Aromatic |
| OAA | HOAA | sing | 0.97Å | 0.95Å | |
| CAD | CAE | sing | 1.38Å | 1.38Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | CAO | doub | 1.39Å | 1.39Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAO | CAP | sing | 1.48Å | 1.40Å | Aromatic |
| CAP | N1J | doub | 1.31Å | 1.32Å | Aromatic |
| CAP | CAR | sing | 1.47Å | 1.40Å | Aromatic |
| CAR | CAG | doub | 1.40Å | 1.40Å | Aromatic |
| CAR | CAQ | sing | 1.41Å | 1.39Å | Aromatic |
| CAG | CAF | sing | 1.36Å | 1.41Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAF | CAM | doub | 1.39Å | 1.40Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAM | CAI | sing | 1.38Å | 1.38Å | Aromatic |
| CAM | OAB | sing | 1.36Å | 1.35Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| CAI | CAQ | doub | 1.39Å | 1.38Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAQ | N1K | sing | 1.37Å | 1.32Å | Aromatic |
| N1K | N1J | sing | 1.40Å | 1.23Å | Aromatic |
| N1K | HN1K | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAN | OAC | HOAC | 109.5° | 114.0° |
| OAC | CAN | CAH | 114.6° | 120.1° |
| OAC | CAN | CAO | 123.0° | 120.1° |
| CAH | CAN | CAO | 122.4° | 119.8° |
| CAN | CAH | CAL | 119.5° | 120.0° |
| CAN | CAH | HAH | 120.2° | 120.0° |
| CAN | CAO | CAE | 117.3° | 119.8° |
| CAN | CAO | CAP | 119.7° | 120.1° |
| CAL | CAH | HAH | 120.3° | 120.0° |
| CAH | CAL | OAA | 118.7° | 119.9° |
| CAH | CAL | CAD | 119.0° | 120.2° |
| OAA | CAL | CAD | 122.3° | 119.9° |
| CAL | OAA | HOAA | 109.5° | 114.0° |
| CAL | CAD | CAE | 122.0° | 120.2° |
| CAL | CAD | HAD | 119.0° | 119.9° |
| CAE | CAD | HAD | 119.0° | 119.9° |
| CAD | CAE | CAO | 119.6° | 120.0° |
| CAD | CAE | HAE | 120.2° | 120.0° |
| CAO | CAE | HAE | 120.2° | 120.0° |
| CAE | CAO | CAP | 122.8° | 120.1° |
| CAO | CAP | N1J | 123.8° | 126.2° |
| CAO | CAP | CAR | 130.0° | 126.2° |
| N1J | CAP | CAR | 105.8° | 107.5° |
| CAP | N1J | N1K | 112.3° | 110.0° |
| CAP | CAR | CAG | 138.5° | 133.8° |
| CAP | CAR | CAQ | 103.9° | 106.3° |
| CAG | CAR | CAQ | 117.6° | 119.9° |
| CAR | CAG | CAF | 120.6° | 119.9° |
| CAR | CAG | HAG | 119.7° | 120.1° |
| CAR | CAQ | CAI | 123.0° | 119.5° |
| CAR | CAQ | N1K | 107.3° | 106.9° |
| CAF | CAG | HAG | 119.7° | 120.0° |
| CAG | CAF | CAM | 119.5° | 120.5° |
| CAG | CAF | HAF | 120.2° | 119.8° |
| CAM | CAF | HAF | 120.3° | 119.7° |
| CAF | CAM | CAI | 120.2° | 120.6° |
| CAF | CAM | OAB | 123.2° | 119.7° |
| CAI | CAM | OAB | 116.5° | 119.7° |
| CAM | CAI | CAQ | 119.1° | 119.6° |
| CAM | CAI | HAI | 120.5° | 120.2° |
| CAM | OAB | HOAB | 109.5° | 113.9° |
| CAQ | CAI | HAI | 120.5° | 120.2° |
| CAI | CAQ | N1K | 129.8° | 133.6° |
| CAQ | N1K | N1J | 110.8° | 109.3° |
| CAQ | N1K | HN1K | 124.6° | 125.4° |
| N1J | N1K | HN1K | 124.6° | 125.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAN | CAH | CAO | 179.1° | 179.7° |
| OAC | CAN | CAH | CAL | 179.5° | 180.0° |
| OAC | CAN | CAH | HAH | 0.5° | 0.1° |
| OAC | CAN | CAO | CAE | 179.6° | 179.8° |
| OAC | CAN | CAO | CAP | 4.0° | 0.0° |
| HOAC | OAC | CAN | CAH | 165.0° | 90.1° |
| HOAC | OAC | CAN | CAO | 15.9° | 90.2° |
| CAN | CAH | CAL | HAH | 180.0° | 180.0° |
| CAN | CAH | CAL | OAA | 180.0° | 180.0° |
| CAN | CAH | CAL | CAD | 0.0° | 0.0° |
| CAH | CAN | CAO | CAE | 1.4° | 0.5° |
| CAH | CAN | CAO | CAP | 176.9° | 179.7° |
| CAO | CAN | CAH | CAL | 0.4° | 0.3° |
| CAO | CAN | CAH | HAH | 179.6° | 179.8° |
| CAN | CAO | CAE | CAD | 2.0° | 0.5° |
| CAN | CAO | CAE | CAP | 175.4° | 179.8° |
| CAN | CAO | CAE | HAE | 178.0° | 179.7° |
| CAN | CAO | CAP | N1J | 6.6° | 46.7° |
| CAN | CAO | CAP | CAR | 164.9° | 133.0° |
| CAH | CAL | OAA | CAD | 180.0° | 180.0° |
| CAH | CAL | OAA | HOAA | 96.3° | 89.9° |
| CAH | CAL | CAD | CAE | 0.7° | 0.0° |
| CAH | CAL | CAD | HAD | 179.3° | 180.0° |
| HAH | CAH | CAL | OAA | 0.0° | 0.0° |
| HAH | CAH | CAL | CAD | 180.0° | 180.0° |
| OAA | CAL | CAD | CAE | 179.3° | 180.0° |
| OAA | CAL | CAD | HAD | 0.7° | 0.0° |
| CAD | CAL | OAA | HOAA | 83.7° | 90.1° |
| CAL | CAD | CAE | HAD | 180.0° | 180.0° |
| CAL | CAD | CAE | CAO | 1.8° | 0.2° |
| CAL | CAD | CAE | HAE | 178.2° | 180.0° |
| CAD | CAE | CAO | HAE | 180.0° | 179.8° |
| CAD | CAE | CAO | CAP | 177.4° | 179.7° |
| HAD | CAD | CAE | CAO | 178.2° | 179.8° |
| HAD | CAD | CAE | HAE | 1.7° | 0.0° |
| CAE | CAO | CAP | N1J | 178.1° | 133.1° |
| CAE | CAO | CAP | CAR | 10.3° | 47.2° |
| HAE | CAE | CAO | CAP | 2.6° | 0.1° |
| CAO | CAP | N1J | CAR | 173.3° | 179.8° |
| CAO | CAP | CAR | CAG | 6.6° | 0.0° |
| CAO | CAP | CAR | CAQ | 174.7° | 180.0° |
| CAO | CAP | N1J | N1K | 175.1° | 179.8° |
| N1J | CAP | CAR | CAG | 179.3° | 179.7° |
| N1J | CAP | CAR | CAQ | 2.0° | 0.3° |
| CAP | N1J | N1K | CAQ | 0.8° | 0.4° |
| CAP | N1J | N1K | HN1K | 179.2° | 179.8° |
| CAP | CAR | CAG | CAQ | 178.6° | 180.0° |
| CAP | CAR | CAG | CAF | 177.4° | 180.0° |
| CAP | CAR | CAG | HAG | 2.6° | 0.1° |
| CAP | CAR | CAQ | CAI | 177.3° | 180.0° |
| CAP | CAR | CAQ | N1K | 1.6° | 0.0° |
| CAR | CAP | N1J | N1K | 1.8° | 0.4° |
| CAR | CAG | CAF | HAG | 180.0° | 179.9° |
| CAR | CAG | CAF | CAM | 0.1° | 0.0° |
| CAR | CAG | CAF | HAF | 179.9° | 180.0° |
| CAG | CAR | CAQ | CAI | 1.7° | 0.0° |
| CAG | CAR | CAQ | N1K | 179.3° | 180.0° |
| CAQ | CAR | CAG | CAF | 1.2° | 0.0° |
| CAQ | CAR | CAG | HAG | 178.8° | 179.9° |
| CAR | CAQ | CAI | CAM | 1.0° | 0.0° |
| CAR | CAQ | CAI | N1K | 178.7° | 180.0° |
| CAR | CAQ | CAI | HAI | 179.0° | 180.0° |
| CAR | CAQ | N1K | N1J | 0.6° | 0.2° |
| CAR | CAQ | N1K | HN1K | 179.4° | 180.0° |
| CAG | CAF | CAM | HAF | 180.0° | 180.0° |
| CAG | CAF | CAM | CAI | 0.9° | 0.1° |
| CAG | CAF | CAM | OAB | 179.2° | 180.0° |
| HAG | CAG | CAF | CAM | 179.9° | 180.0° |
| HAG | CAG | CAF | HAF | 0.1° | 0.0° |
| CAF | CAM | CAI | OAB | 178.4° | 179.9° |
| CAF | CAM | OAB | HOAB | 7.8° | 90.0° |
| CAF | CAM | CAI | CAQ | 0.4° | 0.1° |
| CAF | CAM | CAI | HAI | 179.7° | 180.0° |
| HAF | CAF | CAM | CAI | 179.1° | 179.9° |
| HAF | CAF | CAM | OAB | 0.8° | 0.0° |
| CAI | CAM | OAB | HOAB | 173.8° | 90.1° |
| CAM | CAI | CAQ | HAI | 180.0° | 180.0° |
| CAM | CAI | CAQ | N1K | 179.6° | 180.0° |
| OAB | CAM | CAI | CAQ | 178.8° | 180.0° |
| OAB | CAM | CAI | HAI | 1.2° | 0.0° |
| CAI | CAQ | N1K | N1J | 178.2° | 179.7° |
| CAI | CAQ | N1K | HN1K | 1.8° | 0.0° |
| HAI | CAI | CAQ | N1K | 0.3° | 0.0° |
| CAQ | N1K | N1J | HN1K | 180.0° | 179.7° |
