KRY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAU | CAV | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CAT | sing | 1.38Å | 1.39Å | Aromatic |
| CAV | CAQ | sing | 1.39Å | 1.39Å | Aromatic |
| FAX | CAT | sing | 1.35Å | 1.37Å | |
| CAT | CAS | doub | 1.38Å | 1.39Å | Aromatic |
| CAQ | NAN | sing | 1.40Å | 1.44Å | |
| CAQ | CAR | doub | 1.39Å | 1.39Å | Aromatic |
| CAM | NAN | sing | 1.39Å | 1.32Å | |
| CAM | CAL | doub | 1.33Å | 1.38Å | |
| NAN | CAO | sing | 1.35Å | 1.33Å | |
| CAS | CAR | sing | 1.38Å | 1.38Å | Aromatic |
| CAL | NAK | sing | 1.39Å | 1.32Å | |
| CAR | FAW | sing | 1.35Å | 1.37Å | |
| CAO | NAK | sing | 1.35Å | 1.33Å | |
| CAO | OAP | doub | 1.22Å | 1.19Å | |
| NAK | CAF | sing | 1.40Å | 1.44Å | |
| CAF | CAE | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | CAA | sing | 1.39Å | 1.39Å | Aromatic |
| CAE | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | CAB | doub | 1.38Å | 1.38Å | Aromatic |
| CAD | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAB | CAC | sing | 1.38Å | 1.38Å | Aromatic |
| CAC | SAG | sing | 1.76Å | 1.81Å | |
| NAJ | SAG | sing | 1.66Å | 1.72Å | |
| OAH | SAG | doub | 1.42Å | 1.64Å | |
| SAG | OAI | doub | 1.42Å | 1.65Å | |
| CAS | H1 | sing | 1.08Å | 1.08Å | |
| CAU | H2 | sing | 1.08Å | 1.08Å | |
| CAV | H3 | sing | 1.08Å | 1.08Å | |
| CAM | H4 | sing | 1.08Å | 1.08Å | |
| CAL | H5 | sing | 1.08Å | 1.08Å | |
| CAE | H6 | sing | 1.08Å | 1.08Å | |
| CAD | H7 | sing | 1.08Å | 1.08Å | |
| NAJ | H8 | sing | 0.97Å | 1.00Å | |
| NAJ | H9 | sing | 0.97Å | 1.00Å | |
| CAB | H10 | sing | 1.08Å | 1.08Å | |
| CAA | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAV | CAU | CAT | 120.1° | 120.1° |
| CAU | CAV | CAQ | 118.6° | 120.0° |
| CAV | CAU | H2 | 119.9° | 119.9° |
| CAU | CAV | H3 | 120.7° | 120.0° |
| CAU | CAT | FAX | 120.3° | 119.9° |
| CAU | CAT | CAS | 120.7° | 120.1° |
| CAT | CAU | H2 | 120.0° | 120.0° |
| CAV | CAQ | NAN | 122.2° | 120.1° |
| CAV | CAQ | CAR | 121.3° | 119.9° |
| CAQ | CAV | H3 | 120.7° | 120.0° |
| FAX | CAT | CAS | 119.0° | 120.0° |
| CAT | CAS | CAR | 119.4° | 120.0° |
| CAT | CAS | H1 | 120.3° | 120.0° |
| NAN | CAQ | CAR | 116.4° | 120.0° |
| CAQ | NAN | CAM | 125.1° | 126.0° |
| CAQ | NAN | CAO | 125.4° | 126.0° |
| CAQ | CAR | CAS | 119.8° | 119.9° |
| CAQ | CAR | FAW | 119.8° | 120.0° |
| NAN | CAM | CAL | 107.2° | 108.0° |
| CAM | NAN | CAO | 109.5° | 108.0° |
| NAN | CAM | H4 | 126.4° | 126.1° |
| CAM | CAL | NAK | 106.3° | 107.9° |
| CAL | CAM | H4 | 126.4° | 126.0° |
| CAM | CAL | H5 | 126.8° | 126.1° |
| NAN | CAO | NAK | 107.1° | 108.1° |
| NAN | CAO | OAP | 125.7° | 125.9° |
| CAS | CAR | FAW | 120.4° | 120.1° |
| CAR | CAS | H1 | 120.3° | 120.0° |
| CAL | NAK | CAO | 109.9° | 108.1° |
| CAL | NAK | CAF | 122.5° | 126.0° |
| NAK | CAL | H5 | 126.8° | 126.1° |
| NAK | CAO | OAP | 127.2° | 126.0° |
| CAO | NAK | CAF | 127.5° | 126.0° |
| NAK | CAF | CAE | 123.6° | 120.1° |
| NAK | CAF | CAA | 114.1° | 120.1° |
| CAE | CAF | CAA | 122.2° | 119.8° |
| CAF | CAE | CAD | 118.0° | 120.0° |
| CAF | CAE | H6 | 121.0° | 120.0° |
| CAF | CAA | CAB | 119.8° | 119.9° |
| CAF | CAA | H11 | 120.1° | 120.0° |
| CAE | CAD | CAC | 119.0° | 120.1° |
| CAD | CAE | H6 | 121.0° | 120.1° |
| CAE | CAD | H7 | 120.5° | 119.9° |
| CAA | CAB | CAC | 118.3° | 120.1° |
| CAA | CAB | H10 | 120.9° | 119.9° |
| CAB | CAA | H11 | 120.1° | 120.1° |
| CAD | CAC | CAB | 122.8° | 120.1° |
| CAD | CAC | SAG | 120.6° | 119.9° |
| CAC | CAD | H7 | 120.5° | 120.0° |
| CAB | CAC | SAG | 116.7° | 120.0° |
| CAC | CAB | H10 | 120.9° | 120.0° |
| CAC | SAG | NAJ | 107.0° | 107.2° |
| CAC | SAG | OAH | 105.8° | 106.4° |
| CAC | SAG | OAI | 102.5° | 106.4° |
| NAJ | SAG | OAH | 117.7° | 106.4° |
| NAJ | SAG | OAI | 106.9° | 106.4° |
| SAG | NAJ | H8 | 109.5° | 120.0° |
| SAG | NAJ | H9 | 109.4° | 120.0° |
| OAH | SAG | OAI | 115.5° | 123.2° |
| H8 | NAJ | H9 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAV | CAU | CAT | H2 | 180.0° | 179.7° |
| CAU | CAV | CAQ | H3 | 180.0° | 179.8° |
| CAV | CAU | CAT | FAX | 179.3° | 180.0° |
| CAV | CAU | CAT | CAS | 0.3° | 0.0° |
| CAU | CAV | CAQ | NAN | 179.9° | 180.0° |
| CAU | CAV | CAQ | CAR | 0.7° | 0.5° |
| CAT | CAU | CAV | CAQ | 0.5° | 0.3° |
| CAU | CAT | FAX | CAS | 179.6° | 180.0° |
| CAU | CAT | CAS | CAR | 0.2° | 0.0° |
| CAU | CAT | CAS | H1 | 179.8° | 180.0° |
| CAT | CAU | CAV | H3 | 179.5° | 180.0° |
| CAV | CAQ | NAN | CAR | 179.4° | 179.5° |
| CAV | CAQ | NAN | CAM | 115.9° | 90.3° |
| CAV | CAQ | NAN | CAO | 65.9° | 89.9° |
| CAV | CAQ | CAR | CAS | 0.6° | 0.5° |
| CAV | CAQ | CAR | FAW | 179.9° | 179.8° |
| CAQ | CAV | CAU | H2 | 179.5° | 179.9° |
| FAX | CAT | CAS | CAR | 179.4° | 180.0° |
| FAX | CAT | CAS | H1 | 0.6° | 0.0° |
| FAX | CAT | CAU | H2 | 0.7° | 0.3° |
| CAT | CAS | CAR | CAQ | 0.3° | 0.2° |
| CAT | CAS | CAR | H1 | 180.0° | 180.0° |
| CAT | CAS | CAR | FAW | 179.8° | 180.0° |
| CAS | CAT | CAU | H2 | 179.7° | 179.7° |
| CAQ | NAN | CAM | CAO | 178.4° | 179.8° |
| CAQ | NAN | CAM | CAL | 178.8° | 180.0° |
| NAN | CAQ | CAR | CAS | 180.0° | 180.0° |
| NAN | CAQ | CAR | FAW | 0.5° | 0.2° |
| CAQ | NAN | CAO | NAK | 179.8° | 180.0° |
| CAQ | NAN | CAO | OAP | 1.6° | 0.1° |
| NAN | CAQ | CAV | H3 | 0.1° | 0.2° |
| CAQ | NAN | CAM | H4 | 1.1° | 0.0° |
| CAR | CAQ | NAN | CAM | 64.7° | 89.2° |
| CAR | CAQ | NAN | CAO | 113.5° | 90.5° |
| CAQ | CAR | CAS | FAW | 179.5° | 179.8° |
| CAQ | CAR | CAS | H1 | 179.7° | 179.8° |
| CAR | CAQ | CAV | H3 | 179.3° | 179.7° |
| NAN | CAM | CAL | H4 | 180.0° | 180.0° |
| NAN | CAM | CAL | NAK | 0.7° | 0.2° |
| CAM | NAN | CAO | NAK | 1.4° | 0.2° |
| CAM | NAN | CAO | OAP | 180.0° | 179.7° |
| NAN | CAM | CAL | H5 | 179.2° | 180.0° |
| CAL | CAM | NAN | CAO | 0.4° | 0.2° |
| CAM | CAL | NAK | H5 | 180.0° | 179.8° |
| CAM | CAL | NAK | CAO | 1.6° | 0.0° |
| CAM | CAL | NAK | CAF | 178.1° | 179.8° |
| NAN | CAO | NAK | CAL | 1.9° | 0.1° |
| NAN | CAO | NAK | OAP | 178.5° | 179.9° |
| NAN | CAO | NAK | CAF | 178.1° | 180.0° |
| CAO | NAN | CAM | H4 | 179.6° | 179.7° |
| CAL | NAK | CAO | CAF | 176.2° | 179.8° |
| CAL | NAK | CAO | OAP | 179.6° | 179.8° |
| CAL | NAK | CAF | CAE | 167.7° | 0.2° |
| CAL | NAK | CAF | CAA | 14.1° | 179.9° |
| NAK | CAL | CAM | H4 | 179.3° | 179.8° |
| FAW | CAR | CAS | H1 | 0.2° | 0.0° |
| CAO | NAK | CAF | CAE | 16.5° | 180.0° |
| CAO | NAK | CAF | CAA | 161.7° | 0.3° |
| CAO | NAK | CAL | H5 | 178.3° | 179.8° |
| OAP | CAO | NAK | CAF | 3.4° | 0.1° |
| NAK | CAF | CAE | CAA | 178.0° | 179.7° |
| NAK | CAF | CAE | CAD | 179.1° | 180.0° |
| NAK | CAF | CAA | CAB | 179.0° | 179.7° |
| CAF | NAK | CAL | H5 | 1.9° | 0.0° |
| NAK | CAF | CAE | H6 | 0.9° | 0.0° |
| NAK | CAF | CAA | H11 | 1.0° | 0.1° |
| CAF | CAE | CAD | H6 | 180.0° | 180.0° |
| CAE | CAF | CAA | CAB | 0.8° | 0.6° |
| CAF | CAE | CAD | CAC | 1.0° | 0.0° |
| CAF | CAE | CAD | H7 | 179.0° | 180.0° |
| CAE | CAF | CAA | H11 | 179.2° | 179.7° |
| CAA | CAF | CAE | CAD | 1.0° | 0.3° |
| CAF | CAA | CAB | H11 | 180.0° | 179.6° |
| CAF | CAA | CAB | CAC | 0.6° | 0.6° |
| CAA | CAF | CAE | H6 | 179.0° | 179.7° |
| CAF | CAA | CAB | H10 | 179.5° | 179.7° |
| CAE | CAD | CAC | H7 | 180.0° | 180.0° |
| CAE | CAD | CAC | CAB | 0.9° | 0.0° |
| CAE | CAD | CAC | SAG | 179.3° | 180.0° |
| CAA | CAB | CAC | CAD | 0.6° | 0.3° |
| CAA | CAB | CAC | H10 | 180.0° | 179.7° |
| CAA | CAB | CAC | SAG | 179.5° | 179.7° |
| CAD | CAC | CAB | SAG | 179.8° | 180.0° |
| CAD | CAC | SAG | NAJ | 143.2° | 90.0° |
| CAD | CAC | SAG | OAH | 17.0° | 156.5° |
| CAD | CAC | SAG | OAI | 104.5° | 23.5° |
| CAC | CAD | CAE | H6 | 179.0° | 180.0° |
| CAD | CAC | CAB | H10 | 179.4° | 180.0° |
| CAB | CAC | SAG | NAJ | 36.6° | 90.0° |
| CAB | CAC | SAG | OAH | 162.9° | 23.5° |
| CAB | CAC | SAG | OAI | 75.7° | 156.5° |
| CAB | CAC | CAD | H7 | 179.1° | 180.0° |
| CAC | CAB | CAA | H11 | 179.5° | 179.7° |
| CAC | SAG | NAJ | OAH | 118.8° | 113.5° |
| CAC | SAG | NAJ | OAI | 109.2° | 113.5° |
| CAC | SAG | OAH | OAI | 112.6° | 123.0° |
| SAG | CAC | CAD | H7 | 0.7° | 0.0° |
| CAC | SAG | NAJ | H8 | 180.0° | 0.0° |
| CAC | SAG | NAJ | H9 | 60.0° | 180.0° |
| SAG | CAC | CAB | H10 | 0.4° | 0.0° |
| NAJ | SAG | OAH | OAI | 128.0° | 123.0° |
| SAG | NAJ | H8 | H9 | 120.0° | 179.9° |
| OAH | SAG | NAJ | H8 | 61.2° | 113.6° |
| OAH | SAG | NAJ | H9 | 58.8° | 66.5° |
| OAI | SAG | NAJ | H8 | 70.8° | 113.5° |
| OAI | SAG | NAJ | H9 | 169.2° | 66.4° |
| H2 | CAU | CAV | H3 | 0.5° | 0.3° |
| H4 | CAM | CAL | H5 | 0.8° | 0.0° |
| H6 | CAE | CAD | H7 | 1.0° | 0.0° |
| H10 | CAB | CAA | H11 | 0.5° | 0.1° |
