KN3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAF | CAA | doub | 1.37Å | 1.39Å | Aromatic |
| CAB | CAA | sing | 1.39Å | 1.40Å | Aromatic |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAC | CAB | doub | 1.37Å | 1.39Å | Aromatic |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAD | CAC | sing | 1.40Å | 1.39Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAG | CAD | sing | 1.47Å | 1.40Å | Aromatic |
| CAD | CAE | doub | 1.41Å | 1.42Å | Aromatic |
| NAI | CAE | sing | 1.37Å | 1.35Å | Aromatic |
| CAE | CAF | sing | 1.39Å | 1.42Å | Aromatic |
| CAF | CAW | sing | 1.51Å | 1.57Å | |
| CAJ | CAG | sing | 1.48Å | 1.41Å | Aromatic |
| NAH | CAG | doub | 1.31Å | 1.33Å | Aromatic |
| NAH | NAI | sing | 1.40Å | 1.23Å | Aromatic |
| NAI | CAK | sing | 1.47Å | 1.46Å | |
| CAP | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CAT | CAJ | sing | 1.40Å | 1.40Å | Aromatic |
| CAL | CAK | sing | 1.51Å | 1.30Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| CAL | CAM | doub | 1.31Å | 1.37Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAN | CAM | sing | 1.51Å | 1.31Å | |
| CAM | CAO | sing | 1.51Å | 1.65Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| CAN | HANB | sing | 1.09Å | 1.10Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| CAO | HAOB | sing | 1.09Å | 1.10Å | |
| CAQ | CAP | sing | 1.38Å | 1.39Å | Aromatic |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAR | CAQ | doub | 1.39Å | 1.39Å | Aromatic |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| OAV | CAR | sing | 1.36Å | 1.34Å | |
| CAR | CAS | sing | 1.39Å | 1.37Å | Aromatic |
| CAS | CAT | doub | 1.38Å | 1.39Å | Aromatic |
| CAS | HAS | sing | 1.08Å | 1.08Å | |
| CAT | OAU | sing | 1.36Å | 1.37Å | |
| OAU | HOAU | sing | 0.97Å | 0.95Å | |
| OAV | HOAV | sing | 0.97Å | 0.95Å | |
| FAY | CAW | sing | 1.40Å | 1.33Å | |
| CAW | FAZ | sing | 1.40Å | 1.35Å | |
| CAW | FAX | sing | 1.40Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAA | CAB | 120.6° | 120.8° |
| CAF | CAA | HAA | 119.7° | 119.6° |
| CAA | CAF | CAE | 116.9° | 119.8° |
| CAA | CAF | CAW | 120.5° | 120.1° |
| CAB | CAA | HAA | 119.7° | 119.6° |
| CAA | CAB | CAC | 123.0° | 120.6° |
| CAA | CAB | HAB | 118.5° | 119.7° |
| CAC | CAB | HAB | 118.5° | 119.7° |
| CAB | CAC | CAD | 117.7° | 119.6° |
| CAB | CAC | HAC | 121.2° | 120.2° |
| CAD | CAC | HAC | 121.2° | 120.2° |
| CAC | CAD | CAG | 136.3° | 134.0° |
| CAC | CAD | CAE | 120.1° | 119.7° |
| CAG | CAD | CAE | 103.4° | 106.3° |
| CAD | CAG | CAJ | 130.3° | 126.2° |
| CAD | CAG | NAH | 106.9° | 107.6° |
| CAD | CAE | NAI | 106.5° | 106.9° |
| CAD | CAE | CAF | 121.7° | 119.4° |
| NAI | CAE | CAF | 131.7° | 133.7° |
| CAE | NAI | NAH | 110.5° | 109.3° |
| CAE | NAI | CAK | 123.7° | 125.3° |
| CAE | CAF | CAW | 122.5° | 120.2° |
| CAF | CAW | FAY | 109.9° | 109.4° |
| CAF | CAW | FAZ | 114.5° | 109.5° |
| CAF | CAW | FAX | 109.7° | 109.4° |
| CAJ | CAG | NAH | 122.0° | 126.2° |
| CAG | CAJ | CAP | 116.7° | 120.1° |
| CAG | CAJ | CAT | 125.4° | 120.1° |
| CAG | NAH | NAI | 112.3° | 109.9° |
| NAH | NAI | CAK | 125.7° | 125.3° |
| NAI | CAK | CAL | 102.5° | 109.5° |
| NAI | CAK | HAK | 111.9° | 109.5° |
| NAI | CAK | HAKA | 111.9° | 109.4° |
| CAP | CAJ | CAT | 117.5° | 119.8° |
| CAJ | CAP | CAQ | 122.0° | 120.0° |
| CAJ | CAP | HAP | 119.0° | 120.0° |
| CAJ | CAT | CAS | 120.2° | 119.8° |
| CAJ | CAT | OAU | 122.6° | 120.0° |
| CAL | CAK | HAK | 111.9° | 109.5° |
| CAL | CAK | HAKA | 111.9° | 109.5° |
| CAK | CAL | CAM | 123.1° | 120.0° |
| CAK | CAL | HAL | 118.4° | 120.0° |
| HAK | CAK | HAKA | 106.9° | 109.5° |
| CAM | CAL | HAL | 118.4° | 120.0° |
| CAL | CAM | CAN | 131.0° | 120.0° |
| CAL | CAM | CAO | 107.0° | 120.0° |
| CAN | CAM | CAO | 121.4° | 120.0° |
| CAM | CAN | HAN | 109.5° | 109.5° |
| CAM | CAN | HANA | 109.5° | 109.5° |
| CAM | CAN | HANB | 109.5° | 109.5° |
| CAM | CAO | HAO | 109.5° | 109.5° |
| CAM | CAO | HAOA | 109.5° | 109.5° |
| CAM | CAO | HAOB | 109.5° | 109.5° |
| HAN | CAN | HANA | 109.5° | 109.5° |
| HAN | CAN | HANB | 109.5° | 109.5° |
| HANA | CAN | HANB | 109.4° | 109.4° |
| HAO | CAO | HAOA | 109.5° | 109.4° |
| HAO | CAO | HAOB | 109.5° | 109.5° |
| HAOA | CAO | HAOB | 109.5° | 109.5° |
| CAQ | CAP | HAP | 119.0° | 120.0° |
| CAP | CAQ | CAR | 119.2° | 120.1° |
| CAP | CAQ | HAQ | 120.4° | 119.9° |
| CAR | CAQ | HAQ | 120.4° | 119.9° |
| CAQ | CAR | OAV | 123.4° | 119.9° |
| CAQ | CAR | CAS | 119.6° | 120.2° |
| OAV | CAR | CAS | 117.0° | 119.9° |
| CAR | OAV | HOAV | 109.5° | 114.0° |
| CAR | CAS | CAT | 121.2° | 120.0° |
| CAR | CAS | HAS | 119.4° | 120.0° |
| CAT | CAS | HAS | 119.4° | 120.0° |
| CAS | CAT | OAU | 116.9° | 120.1° |
| CAT | OAU | HOAU | 109.5° | 114.0° |
| FAY | CAW | FAZ | 107.3° | 109.5° |
| FAY | CAW | FAX | 109.5° | 109.4° |
| FAZ | CAW | FAX | 105.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAA | CAB | HAA | 180.0° | 179.7° |
| CAF | CAA | CAB | CAC | 0.9° | 0.3° |
| CAF | CAA | CAB | HAB | 179.1° | 179.7° |
| CAA | CAF | CAE | CAD | 2.5° | 0.5° |
| CAA | CAF | CAE | NAI | 177.1° | 179.8° |
| CAA | CAF | CAE | CAW | 178.1° | 179.5° |
| CAA | CAF | CAW | FAY | 114.6° | 124.7° |
| CAA | CAF | CAW | FAZ | 124.6° | 4.6° |
| CAA | CAF | CAW | FAX | 5.7° | 115.4° |
| CAA | CAB | CAC | HAB | 180.0° | 180.0° |
| CAA | CAB | CAC | CAD | 0.3° | 0.0° |
| CAA | CAB | CAC | HAC | 179.7° | 179.9° |
| CAB | CAA | CAF | CAE | 1.9° | 0.6° |
| CAB | CAA | CAF | CAW | 179.9° | 180.0° |
| HAA | CAA | CAB | CAC | 179.1° | 180.0° |
| HAA | CAA | CAB | HAB | 0.9° | 0.0° |
| HAA | CAA | CAF | CAE | 178.1° | 179.8° |
| HAA | CAA | CAF | CAW | 0.1° | 0.3° |
| CAB | CAC | CAD | HAC | 180.0° | 180.0° |
| CAB | CAC | CAD | CAG | 177.1° | 180.0° |
| CAB | CAC | CAD | CAE | 0.9° | 0.0° |
| HAB | CAB | CAC | CAD | 179.7° | 180.0° |
| HAB | CAB | CAC | HAC | 0.3° | 0.0° |
| CAC | CAD | CAG | CAE | 176.6° | 180.0° |
| CAC | CAD | CAE | NAI | 177.8° | 180.0° |
| CAC | CAD | CAE | CAF | 2.1° | 0.2° |
| CAC | CAD | CAG | CAJ | 7.2° | 0.1° |
| CAC | CAD | CAG | NAH | 177.4° | 180.0° |
| HAC | CAC | CAD | CAG | 3.0° | 0.1° |
| HAC | CAC | CAD | CAE | 179.1° | 180.0° |
| CAG | CAD | CAE | NAI | 4.9° | 0.0° |
| CAG | CAD | CAE | CAF | 179.3° | 179.7° |
| CAD | CAG | CAJ | NAH | 168.9° | 180.0° |
| CAD | CAG | NAH | NAI | 5.3° | 0.0° |
| CAD | CAG | CAJ | CAP | 147.6° | 48.7° |
| CAD | CAG | CAJ | CAT | 25.3° | 131.1° |
| CAD | CAE | NAI | CAF | 175.2° | 179.7° |
| CAD | CAE | CAF | CAW | 179.4° | 180.0° |
| CAE | CAD | CAG | CAJ | 176.2° | 180.0° |
| CAE | CAD | CAG | NAH | 6.0° | 0.0° |
| CAD | CAE | NAI | NAH | 2.0° | 0.0° |
| CAD | CAE | NAI | CAK | 178.9° | 180.0° |
| NAI | CAE | CAF | CAW | 4.8° | 0.3° |
| CAE | NAI | NAH | CAG | 2.1° | 0.0° |
| CAE | NAI | NAH | CAK | 176.9° | 179.9° |
| CAE | NAI | CAK | CAL | 171.6° | 97.8° |
| CAE | NAI | CAK | HAK | 51.6° | 22.2° |
| CAE | NAI | CAK | HAKA | 68.3° | 142.2° |
| CAF | CAE | NAI | NAH | 177.2° | 179.7° |
| CAF | CAE | NAI | CAK | 5.9° | 0.2° |
| CAE | CAF | CAW | FAY | 63.4° | 55.8° |
| CAE | CAF | CAW | FAZ | 57.4° | 175.9° |
| CAE | CAF | CAW | FAX | 176.2° | 64.1° |
| CAF | CAW | FAY | FAZ | 125.0° | 120.1° |
| CAF | CAW | FAY | FAX | 120.5° | 119.9° |
| CAF | CAW | FAZ | FAX | 121.0° | 120.0° |
| CAJ | CAG | NAH | NAI | 176.4° | 179.9° |
| CAG | CAJ | CAP | CAT | 173.5° | 179.7° |
| CAG | CAJ | CAP | CAQ | 177.8° | 180.0° |
| CAG | CAJ | CAP | HAP | 2.2° | 0.1° |
| CAG | CAJ | CAT | CAS | 178.7° | 179.7° |
| CAG | CAJ | CAT | OAU | 8.0° | 0.3° |
| CAG | NAH | NAI | CAK | 174.8° | 180.0° |
| NAH | CAG | CAJ | CAP | 21.2° | 131.3° |
| NAH | CAG | CAJ | CAT | 165.9° | 49.0° |
| NAH | NAI | CAK | CAL | 4.8° | 82.1° |
| NAH | NAI | CAK | HAK | 124.8° | 157.9° |
| NAH | NAI | CAK | HAKA | 115.2° | 37.9° |
| NAI | CAK | CAL | HAK | 120.0° | 120.0° |
| NAI | CAK | CAL | HAKA | 120.0° | 120.0° |
| NAI | CAK | HAK | HAKA | 122.8° | 120.0° |
| NAI | CAK | CAL | CAM | 107.7° | 118.4° |
| NAI | CAK | CAL | HAL | 72.3° | 61.6° |
| CAJ | CAP | CAQ | HAP | 180.0° | 179.9° |
| CAJ | CAP | CAQ | CAR | 1.4° | 0.0° |
| CAJ | CAP | CAQ | HAQ | 178.6° | 180.0° |
| CAP | CAJ | CAT | CAS | 5.9° | 0.6° |
| CAP | CAJ | CAT | OAU | 179.2° | 180.0° |
| CAT | CAJ | CAP | CAQ | 4.3° | 0.3° |
| CAT | CAJ | CAP | HAP | 175.7° | 179.8° |
| CAJ | CAT | CAS | CAR | 4.7° | 0.6° |
| CAJ | CAT | CAS | OAU | 173.7° | 179.4° |
| CAJ | CAT | CAS | HAS | 175.4° | 179.7° |
| CAJ | CAT | OAU | HOAU | 180.0° | 90.6° |
| CAL | CAK | HAK | HAKA | 122.8° | 120.0° |
| CAK | CAL | CAM | HAL | 180.0° | 179.9° |
| CAK | CAL | CAM | CAN | 179.2° | 172.0° |
| CAK | CAL | CAM | CAO | 9.6° | 8.0° |
| HAK | CAK | CAL | CAM | 132.3° | 121.7° |
| HAK | CAK | CAL | HAL | 47.7° | 58.4° |
| HAKA | CAK | CAL | CAM | 12.3° | 1.6° |
| HAKA | CAK | CAL | HAL | 167.7° | 178.4° |
| CAL | CAM | CAN | CAO | 170.2° | 179.9° |
| CAL | CAM | CAN | HAN | 180.0° | 90.0° |
| CAL | CAM | CAN | HANA | 60.0° | 150.0° |
| CAL | CAM | CAN | HANB | 60.0° | 30.0° |
| CAL | CAM | CAO | HAO | 180.0° | 5.7° |
| CAL | CAM | CAO | HAOA | 60.0° | 125.7° |
| CAL | CAM | CAO | HAOB | 60.0° | 114.3° |
| HAL | CAL | CAM | CAN | 0.8° | 8.1° |
| HAL | CAL | CAM | CAO | 170.4° | 171.9° |
| CAM | CAN | HAN | HANA | 120.0° | 120.0° |
| CAM | CAN | HAN | HANB | 120.0° | 120.0° |
| CAM | CAN | HANA | HANB | 120.0° | 120.0° |
| CAN | CAM | CAO | HAO | 7.7° | 174.3° |
| CAN | CAM | CAO | HAOA | 127.7° | 54.3° |
| CAN | CAM | CAO | HAOB | 112.3° | 65.7° |
| CAO | CAM | CAN | HAN | 9.8° | 90.0° |
| CAO | CAM | CAN | HANA | 110.2° | 30.0° |
| CAO | CAM | CAN | HANB | 129.8° | 150.0° |
| CAM | CAO | HAO | HAOA | 120.0° | 120.0° |
| CAM | CAO | HAO | HAOB | 120.0° | 120.0° |
| CAM | CAO | HAOA | HAOB | 120.0° | 120.0° |
| HAN | CAN | HANA | HANB | 120.0° | 120.0° |
| HAO | CAO | HAOA | HAOB | 120.0° | 120.0° |
| CAP | CAQ | CAR | HAQ | 180.0° | 180.0° |
| CAP | CAQ | CAR | OAV | 179.5° | 180.0° |
| CAP | CAQ | CAR | CAS | 0.1° | 0.0° |
| HAP | CAP | CAQ | CAR | 178.6° | 179.9° |
| HAP | CAP | CAQ | HAQ | 1.3° | 0.1° |
| CAQ | CAR | OAV | CAS | 179.5° | 180.0° |
| CAQ | CAR | CAS | CAT | 1.6° | 0.3° |
| CAQ | CAR | CAS | HAS | 178.4° | 180.0° |
| CAQ | CAR | OAV | HOAV | 180.0° | 90.0° |
| HAQ | CAQ | CAR | OAV | 0.5° | 0.0° |
| HAQ | CAQ | CAR | CAS | 179.9° | 180.0° |
| OAV | CAR | CAS | CAT | 177.9° | 179.7° |
| OAV | CAR | CAS | HAS | 2.1° | 0.0° |
| CAR | CAS | CAT | HAS | 180.0° | 179.7° |
| CAR | CAS | CAT | OAU | 178.4° | 180.0° |
| CAS | CAR | OAV | HOAV | 0.5° | 90.0° |
| CAS | CAT | OAU | HOAU | 6.5° | 90.0° |
| HAS | CAS | CAT | OAU | 1.7° | 0.4° |
| FAY | CAW | FAZ | FAX | 116.8° | 120.0° |
