NKX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAD | sing | 1.53Å | 1.53Å | |
| OAB | SAE | doub | 1.42Å | 1.50Å | |
| OAC | SAI | doub | 1.42Å | 1.50Å | |
| CAD | SAE | sing | 1.82Å | 1.83Å | |
| CAD | CAM | sing | 1.54Å | 1.53Å | |
| SAE | CAF | sing | 1.77Å | 1.75Å | |
| SAE | OAK | doub | 1.42Å | 1.50Å | |
| CAF | SAG | sing | 1.76Å | 1.67Å | Aromatic |
| CAF | CAO | doub | 1.35Å | 1.41Å | Aromatic |
| SAG | CAH | sing | 1.76Å | 1.63Å | Aromatic |
| CAH | SAI | sing | 1.76Å | 1.75Å | |
| CAH | CAP | doub | 1.33Å | 1.35Å | Aromatic |
| SAI | NAJ | sing | 1.66Å | 1.51Å | |
| SAI | OAL | doub | 1.42Å | 1.59Å | |
| CAM | CAN | sing | 1.52Å | 1.57Å | |
| CAN | CAO | sing | 1.52Å | 1.58Å | |
| CAN | NAQ | sing | 1.47Å | 1.49Å | |
| CAO | CAP | sing | 1.40Å | 1.36Å | Aromatic |
| NAQ | CAR | sing | 1.46Å | 1.48Å | |
| NAQ | CAU | sing | 1.35Å | 1.35Å | |
| CAR | CAS | sing | 1.53Å | 1.52Å | |
| OAT | CAU | doub | 1.21Å | 1.23Å | |
| CAU | OAV | sing | 1.35Å | 1.36Å | |
| OAV | CAW | sing | 1.45Å | 1.50Å | |
| CAW | CAY | sing | 1.53Å | 1.57Å | |
| OAX | NBA | doub | 1.22Å | 1.43Å | |
| CAY | OAZ | sing | 1.43Å | 1.46Å | |
| CAY | CBC | sing | 1.53Å | 1.55Å | |
| OAZ | NBA | sing | 1.42Å | 1.38Å | |
| NBA | OBB | sing | 1.22Å | 1.46Å | |
| CBC | OBD | sing | 1.43Å | 1.44Å | |
| OBD | NBE | sing | 1.42Å | 1.36Å | |
| NBE | OBF | sing | 1.22Å | 1.43Å | |
| NBE | OBG | doub | 1.22Å | 1.43Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| NAJ | HNAJ | sing | 0.97Å | 1.00Å | |
| NAJ | HNAA | sing | 0.97Å | 1.00Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAR | HARA | sing | 1.09Å | 1.10Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| CAS | HASA | sing | 1.09Å | 1.10Å | |
| CAS | HASB | sing | 1.09Å | 1.10Å | |
| CAW | HAW | sing | 1.09Å | 1.10Å | |
| CAW | HAWA | sing | 1.09Å | 1.10Å | |
| CAY | HAY | sing | 1.09Å | 1.10Å | |
| CBC | HBC | sing | 1.09Å | 1.10Å | |
| CBC | HBCA | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAD | SAE | 112.0° | 109.9° |
| CAA | CAD | CAM | 110.7° | 109.9° |
| CAD | CAA | HAA | 109.5° | 109.5° |
| CAD | CAA | HAAA | 109.5° | 109.5° |
| CAD | CAA | HAAB | 109.5° | 109.4° |
| CAA | CAD | HAD | 106.1° | 109.9° |
| OAB | SAE | CAD | 113.0° | 110.9° |
| OAB | SAE | CAF | 110.2° | 104.7° |
| OAB | SAE | OAK | 108.9° | 121.3° |
| OAC | SAI | CAH | 111.6° | 106.4° |
| OAC | SAI | NAJ | 110.2° | 106.4° |
| OAC | SAI | OAL | 109.3° | 123.2° |
| SAE | CAD | CAM | 107.0° | 107.2° |
| CAD | SAE | CAF | 104.7° | 102.1° |
| CAD | SAE | OAK | 109.8° | 110.9° |
| SAE | CAD | HAD | 109.9° | 109.9° |
| CAD | CAM | CAN | 115.3° | 110.3° |
| CAM | CAD | HAD | 111.2° | 110.0° |
| CAD | CAM | HAM | 107.6° | 109.4° |
| CAD | CAM | HAMA | 107.6° | 109.3° |
| CAF | SAE | OAK | 110.3° | 104.7° |
| SAE | CAF | SAG | 127.4° | 125.4° |
| SAE | CAF | CAO | 124.6° | 124.2° |
| SAG | CAF | CAO | 107.9° | 110.4° |
| CAF | SAG | CAH | 96.2° | 91.0° |
| CAF | CAO | CAN | 121.4° | 124.5° |
| CAF | CAO | CAP | 110.7° | 113.1° |
| SAG | CAH | SAI | 120.8° | 125.2° |
| SAG | CAH | CAP | 109.3° | 109.6° |
| SAI | CAH | CAP | 129.9° | 125.2° |
| CAH | SAI | NAJ | 107.3° | 107.2° |
| CAH | SAI | OAL | 107.4° | 106.4° |
| CAH | CAP | CAO | 115.8° | 116.0° |
| CAH | CAP | HAP | 122.1° | 122.0° |
| NAJ | SAI | OAL | 111.0° | 106.4° |
| SAI | NAJ | HNAJ | 109.5° | 120.0° |
| SAI | NAJ | HNAA | 109.5° | 120.0° |
| CAM | CAN | CAO | 116.0° | 112.1° |
| CAM | CAN | NAQ | 105.4° | 109.0° |
| CAN | CAM | HAM | 107.6° | 109.4° |
| CAN | CAM | HAMA | 107.6° | 109.3° |
| CAM | CAN | HAN | 109.9° | 109.0° |
| CAO | CAN | NAQ | 114.7° | 108.9° |
| CAN | CAO | CAP | 127.8° | 122.4° |
| CAO | CAN | HAN | 99.5° | 109.0° |
| CAN | NAQ | CAR | 117.3° | 120.0° |
| CAN | NAQ | CAU | 121.2° | 120.0° |
| NAQ | CAN | HAN | 111.4° | 108.9° |
| CAO | CAP | HAP | 122.1° | 122.0° |
| CAR | NAQ | CAU | 121.5° | 120.0° |
| NAQ | CAR | CAS | 109.4° | 109.5° |
| NAQ | CAR | HAR | 109.5° | 109.5° |
| NAQ | CAR | HARA | 109.5° | 109.5° |
| NAQ | CAU | OAT | 123.9° | 120.0° |
| NAQ | CAU | OAV | 119.7° | 120.0° |
| CAS | CAR | HAR | 109.5° | 109.5° |
| CAS | CAR | HARA | 109.5° | 109.4° |
| CAR | CAS | HAS | 109.5° | 109.5° |
| CAR | CAS | HASA | 109.5° | 109.4° |
| CAR | CAS | HASB | 109.5° | 109.5° |
| OAT | CAU | OAV | 116.3° | 120.0° |
| CAU | OAV | CAW | 113.4° | 117.0° |
| OAV | CAW | CAY | 126.5° | 109.5° |
| OAV | CAW | HAW | 104.1° | 109.5° |
| OAV | CAW | HAWA | 104.1° | 109.5° |
| CAW | CAY | OAZ | 112.9° | 109.5° |
| CAW | CAY | CBC | 113.2° | 109.4° |
| CAY | CAW | HAW | 104.2° | 109.5° |
| CAY | CAW | HAWA | 104.2° | 109.5° |
| CAW | CAY | HAY | 105.1° | 109.4° |
| OAX | NBA | OAZ | 120.4° | 120.0° |
| OAX | NBA | OBB | 119.9° | 120.0° |
| OAZ | CAY | CBC | 111.7° | 109.5° |
| CAY | OAZ | NBA | 117.7° | 114.0° |
| OAZ | CAY | HAY | 106.8° | 109.5° |
| CAY | CBC | OBD | 111.8° | 109.4° |
| CBC | CAY | HAY | 106.5° | 109.5° |
| CAY | CBC | HBC | 108.7° | 109.4° |
| CAY | CBC | HBCA | 108.7° | 109.5° |
| OAZ | NBA | OBB | 119.7° | 120.0° |
| CBC | OBD | NBE | 109.5° | 114.0° |
| OBD | CBC | HBC | 108.7° | 109.5° |
| OBD | CBC | HBCA | 108.7° | 109.5° |
| OBD | NBE | OBF | 119.7° | 120.0° |
| OBD | NBE | OBG | 120.7° | 120.0° |
| OBF | NBE | OBG | 119.6° | 120.0° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HNAJ | NAJ | HNAA | 109.5° | 120.0° |
| HAM | CAM | HAMA | 111.3° | 109.2° |
| HAR | CAR | HARA | 109.5° | 109.4° |
| HAS | CAS | HASA | 109.5° | 109.5° |
| HAS | CAS | HASB | 109.5° | 109.5° |
| HASA | CAS | HASB | 109.5° | 109.4° |
| HAW | CAW | HAWA | 114.2° | 109.5° |
| HBC | CBC | HBCA | 110.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAD | SAE | OAB | 166.9° | 173.1° |
| CAA | CAD | SAE | CAM | 121.5° | 119.4° |
| CAA | CAD | SAE | HAD | 117.6° | 121.1° |
| CAA | CAD | CAM | HAD | 117.7° | 121.2° |
| CAA | CAD | SAE | CAF | 73.2° | 75.8° |
| CAA | CAD | SAE | OAK | 45.2° | 35.3° |
| CAA | CAD | CAM | CAN | 57.3° | 47.2° |
| CAD | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAD | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAD | CAA | HAAA | HAAB | 120.0° | 119.9° |
| CAA | CAD | CAM | HAM | 177.3° | 167.5° |
| CAA | CAD | CAM | HAMA | 62.7° | 73.0° |
| OAB | SAE | CAD | CAF | 119.9° | 111.1° |
| OAB | SAE | CAD | OAK | 121.8° | 137.8° |
| OAB | SAE | CAD | CAM | 71.5° | 67.4° |
| OAB | SAE | CAF | OAK | 120.2° | 128.6° |
| OAB | SAE | CAF | SAG | 78.6° | 75.3° |
| OAB | SAE | CAF | CAO | 102.5° | 104.7° |
| OAB | SAE | CAD | HAD | 49.3° | 52.0° |
| OAC | SAI | CAH | SAG | 87.0° | 23.5° |
| OAC | SAI | CAH | NAJ | 120.9° | 113.6° |
| OAC | SAI | CAH | OAL | 119.8° | 132.9° |
| OAC | SAI | CAH | CAP | 93.7° | 156.5° |
| OAC | SAI | NAJ | OAL | 121.2° | 132.9° |
| OAC | SAI | NAJ | HNAJ | 180.0° | 66.5° |
| OAC | SAI | NAJ | HNAA | 60.0° | 113.6° |
| SAE | CAD | CAM | HAD | 120.0° | 119.4° |
| CAD | SAE | CAF | OAK | 118.0° | 115.7° |
| CAD | SAE | CAF | SAG | 159.6° | 169.0° |
| CAD | SAE | CAF | CAO | 19.3° | 11.0° |
| SAE | CAD | CAM | CAN | 65.0° | 72.2° |
| SAE | CAD | CAA | HAA | 180.0° | 60.0° |
| SAE | CAD | CAA | HAAA | 60.0° | 180.0° |
| SAE | CAD | CAA | HAAB | 60.0° | 60.0° |
| SAE | CAD | CAM | HAM | 55.0° | 48.1° |
| SAE | CAD | CAM | HAMA | 175.0° | 167.6° |
| CAM | CAD | SAE | CAF | 48.4° | 43.6° |
| CAM | CAD | SAE | OAK | 166.7° | 154.7° |
| CAD | CAM | CAN | HAM | 120.0° | 120.3° |
| CAD | CAM | CAN | HAMA | 120.0° | 120.2° |
| CAD | CAM | CAN | CAO | 46.2° | 61.5° |
| CAD | CAM | CAN | NAQ | 174.1° | 177.9° |
| CAM | CAD | CAA | HAA | 60.6° | 57.7° |
| CAM | CAD | CAA | HAAA | 179.4° | 62.3° |
| CAM | CAD | CAA | HAAB | 59.4° | 177.8° |
| CAD | CAM | HAM | HAMA | 117.6° | 119.6° |
| CAD | CAM | CAN | HAN | 65.7° | 59.2° |
| SAE | CAF | SAG | CAO | 179.0° | 180.0° |
| SAE | CAF | SAG | CAH | 178.6° | 179.6° |
| SAE | CAF | CAO | CAN | 0.4° | 0.8° |
| SAE | CAF | CAO | CAP | 178.8° | 179.4° |
| CAF | SAE | CAD | HAD | 169.2° | 163.1° |
| OAK | SAE | CAF | SAG | 41.6° | 53.4° |
| OAK | SAE | CAF | CAO | 137.3° | 126.7° |
| OAK | SAE | CAD | HAD | 72.5° | 85.8° |
| CAF | SAG | CAH | SAI | 179.8° | 179.8° |
| CAF | SAG | CAH | CAP | 0.4° | 0.2° |
| SAG | CAF | CAO | CAN | 178.7° | 179.2° |
| SAG | CAF | CAO | CAP | 0.3° | 0.6° |
| CAO | CAF | SAG | CAH | 0.4° | 0.4° |
| CAF | CAO | CAP | CAH | 0.1° | 0.5° |
| CAF | CAO | CAN | CAM | 10.0° | 23.5° |
| CAF | CAO | CAN | CAP | 178.0° | 179.8° |
| CAF | CAO | CAN | NAQ | 133.2° | 144.1° |
| CAF | CAO | CAN | HAN | 107.8° | 97.2° |
| CAF | CAO | CAP | HAP | 179.9° | 179.5° |
| SAG | CAH | SAI | CAP | 179.3° | 180.0° |
| SAG | CAH | SAI | NAJ | 152.1° | 90.0° |
| SAG | CAH | SAI | OAL | 32.8° | 156.4° |
| SAG | CAH | CAP | CAO | 0.2° | 0.1° |
| SAG | CAH | CAP | HAP | 179.8° | 179.8° |
| CAH | SAI | NAJ | OAL | 117.0° | 113.5° |
| SAI | CAH | CAP | CAO | 179.6° | 179.9° |
| CAH | SAI | NAJ | HNAJ | 58.2° | 180.0° |
| CAH | SAI | NAJ | HNAA | 61.8° | 0.0° |
| SAI | CAH | CAP | HAP | 0.4° | 0.2° |
| CAP | CAH | SAI | NAJ | 27.2° | 90.0° |
| CAP | CAH | SAI | OAL | 146.5° | 23.6° |
| CAH | CAP | CAO | CAN | 178.3° | 179.3° |
| CAH | CAP | CAO | HAP | 180.0° | 180.0° |
| SAI | NAJ | HNAJ | HNAA | 120.0° | 180.0° |
| OAL | SAI | NAJ | HNAJ | 58.8° | 66.5° |
| OAL | SAI | NAJ | HNAA | 178.8° | 113.5° |
| CAM | CAN | CAO | NAQ | 123.2° | 120.7° |
| CAM | CAN | CAO | HAN | 117.8° | 120.7° |
| CAM | CAN | NAQ | HAN | 119.2° | 118.8° |
| CAM | CAN | CAO | CAP | 172.0° | 156.8° |
| CAM | CAN | NAQ | CAR | 93.1° | 120.0° |
| CAM | CAN | NAQ | CAU | 85.3° | 59.9° |
| CAN | CAM | CAD | HAD | 175.0° | 168.4° |
| CAN | CAM | HAM | HAMA | 117.6° | 119.6° |
| CAO | CAN | NAQ | HAN | 112.1° | 118.7° |
| CAO | CAN | NAQ | CAR | 35.6° | 117.4° |
| CAO | CAN | NAQ | CAU | 145.9° | 62.6° |
| CAO | CAN | CAM | HAM | 73.8° | 58.8° |
| CAO | CAN | CAM | HAMA | 166.2° | 178.3° |
| CAN | CAO | CAP | HAP | 1.7° | 0.7° |
| NAQ | CAN | CAO | CAP | 48.8° | 36.1° |
| CAN | NAQ | CAR | CAU | 178.4° | 180.0° |
| CAN | NAQ | CAR | CAS | 84.6° | 90.0° |
| CAN | NAQ | CAU | OAT | 1.5° | 0.1° |
| CAN | NAQ | CAU | OAV | 178.3° | 180.0° |
| NAQ | CAN | CAM | HAM | 54.1° | 61.8° |
| NAQ | CAN | CAM | HAMA | 65.9° | 57.7° |
| CAN | NAQ | CAR | HAR | 155.4° | 150.0° |
| CAN | NAQ | CAR | HARA | 35.4° | 30.0° |
| CAP | CAO | CAN | HAN | 70.2° | 82.5° |
| NAQ | CAR | CAS | HAR | 120.0° | 120.1° |
| NAQ | CAR | CAS | HARA | 120.0° | 120.0° |
| CAR | NAQ | CAU | OAT | 179.9° | 180.0° |
| CAR | NAQ | CAU | OAV | 0.0° | 0.0° |
| CAR | NAQ | CAN | HAN | 147.7° | 1.3° |
| NAQ | CAR | HAR | HARA | 120.1° | 120.0° |
| NAQ | CAR | CAS | HAS | 180.0° | 60.0° |
| NAQ | CAR | CAS | HASA | 60.0° | 60.0° |
| NAQ | CAR | CAS | HASB | 60.0° | 180.0° |
| CAU | NAQ | CAR | CAS | 93.8° | 90.0° |
| NAQ | CAU | OAT | OAV | 179.8° | 180.0° |
| NAQ | CAU | OAV | CAW | 164.0° | 180.0° |
| CAU | NAQ | CAN | HAN | 33.9° | 178.7° |
| CAU | NAQ | CAR | HAR | 26.1° | 30.0° |
| CAU | NAQ | CAR | HARA | 146.2° | 150.0° |
| CAS | CAR | HAR | HARA | 120.0° | 119.9° |
| CAR | CAS | HAS | HASA | 120.0° | 120.0° |
| CAR | CAS | HAS | HASB | 120.0° | 120.0° |
| CAR | CAS | HASA | HASB | 120.0° | 120.0° |
| OAT | CAU | OAV | CAW | 15.8° | 0.0° |
| CAU | OAV | CAW | CAY | 25.8° | 180.0° |
| CAU | OAV | CAW | HAW | 94.2° | 60.0° |
| CAU | OAV | CAW | HAWA | 145.8° | 60.0° |
| OAV | CAW | CAY | HAW | 120.0° | 120.0° |
| OAV | CAW | CAY | HAWA | 120.0° | 120.0° |
| OAV | CAW | CAY | OAZ | 47.0° | 65.0° |
| OAV | CAW | CAY | CBC | 175.1° | 175.0° |
| OAV | CAW | HAW | HAWA | 112.9° | 120.0° |
| OAV | CAW | CAY | HAY | 69.0° | 55.0° |
| CAW | CAY | OAZ | CBC | 128.9° | 120.0° |
| CAW | CAY | OAZ | HAY | 115.1° | 120.0° |
| CAW | CAY | CBC | HAY | 115.0° | 120.0° |
| CAW | CAY | OAZ | NBA | 68.4° | 85.0° |
| CAW | CAY | CBC | OBD | 121.1° | 175.0° |
| CAY | CAW | HAW | HAWA | 113.0° | 120.0° |
| CAW | CAY | CBC | HBC | 1.1° | 55.0° |
| CAW | CAY | CBC | HBCA | 118.9° | 65.0° |
| OAX | NBA | OAZ | CAY | 56.3° | 0.0° |
| OAX | NBA | OAZ | OBB | 178.2° | 180.0° |
| OAZ | CAY | CBC | HAY | 116.3° | 120.0° |
| CAY | OAZ | NBA | OBB | 125.5° | 180.0° |
| OAZ | CAY | CBC | OBD | 110.1° | 65.0° |
| OAZ | CAY | CAW | HAW | 167.0° | 175.0° |
| OAZ | CAY | CAW | HAWA | 73.0° | 55.0° |
| OAZ | CAY | CBC | HBC | 129.9° | 175.0° |
| OAZ | CAY | CBC | HBCA | 9.9° | 55.0° |
| CBC | CAY | OAZ | NBA | 60.5° | 155.0° |
| CAY | CBC | OBD | HBC | 120.0° | 119.9° |
| CAY | CBC | OBD | HBCA | 120.0° | 120.0° |
| CAY | CBC | OBD | NBE | 171.7° | 180.0° |
| CBC | CAY | CAW | HAW | 64.9° | 55.0° |
| CBC | CAY | CAW | HAWA | 55.1° | 65.0° |
| CAY | CBC | HBC | HBCA | 119.1° | 120.0° |
| NBA | OAZ | CAY | HAY | 176.6° | 35.0° |
| CBC | OBD | NBE | OBF | 87.7° | 0.0° |
| CBC | OBD | NBE | OBG | 92.4° | 180.0° |
| OBD | CBC | CAY | HAY | 6.1° | 55.0° |
| OBD | CBC | HBC | HBCA | 119.0° | 120.1° |
| OBD | NBE | OBF | OBG | 179.9° | 179.9° |
| NBE | OBD | CBC | HBC | 68.3° | 60.1° |
| NBE | OBD | CBC | HBCA | 51.7° | 60.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | CAD | HAD | 60.1° | 179.0° |
| HAAA | CAA | CAD | HAD | 59.9° | 59.0° |
| HAAB | CAA | CAD | HAD | 179.9° | 61.0° |
| HAD | CAD | CAM | HAM | 65.0° | 71.3° |
| HAD | CAD | CAM | HAMA | 55.0° | 48.2° |
| HAM | CAM | CAN | HAN | 174.3° | 179.5° |
| HAMA | CAM | CAN | HAN | 54.3° | 61.0° |
| HAR | CAR | CAS | HAS | 60.0° | 180.0° |
| HAR | CAR | CAS | HASA | 180.0° | 60.0° |
| HAR | CAR | CAS | HASB | 60.0° | 59.9° |
| HARA | CAR | CAS | HAS | 60.0° | 60.0° |
| HARA | CAR | CAS | HASA | 60.0° | 180.0° |
| HARA | CAR | CAS | HASB | 180.0° | 60.0° |
| HAS | CAS | HASA | HASB | 120.0° | 120.0° |
| HAW | CAW | CAY | HAY | 51.0° | 65.0° |
| HAWA | CAW | CAY | HAY | 171.0° | 175.0° |
| HAY | CAY | CBC | HBC | 113.9° | 64.9° |
| HAY | CAY | CBC | HBCA | 126.1° | 175.0° |
