KFQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAC | doub | 1.38Å | 1.41Å | Aromatic |
| CAD | CAF | sing | 1.38Å | 1.38Å | Aromatic |
| CAC | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAM | doub | 1.39Å | 1.41Å | Aromatic |
| CAE | CAL | doub | 1.39Å | 1.40Å | Aromatic |
| SAB | CAK | sing | 1.76Å | 1.75Å | |
| CAM | CAL | sing | 1.40Å | 1.41Å | Aromatic |
| CAM | NAO | sing | 1.39Å | 1.42Å | |
| CAL | NAI | sing | 1.39Å | 1.41Å | |
| NAO | CAK | sing | 1.36Å | 1.38Å | Aromatic |
| NAO | CAN | sing | 1.38Å | 1.37Å | Aromatic |
| CAK | NAH | doub | 1.32Å | 1.32Å | Aromatic |
| NAI | CAJ | sing | 1.35Å | 1.35Å | |
| CAN | CAJ | sing | 1.47Å | 1.46Å | |
| CAN | NAG | doub | 1.31Å | 1.33Å | Aromatic |
| NAH | NAG | sing | 1.29Å | 1.35Å | Aromatic |
| CAJ | OAA | doub | 1.22Å | 1.26Å | |
| CAF | H2 | sing | 1.08Å | 1.08Å | |
| CAD | H3 | sing | 1.08Å | 1.08Å | |
| CAC | H4 | sing | 1.08Å | 1.08Å | |
| CAE | H5 | sing | 1.08Å | 1.08Å | |
| NAI | H6 | sing | 0.97Å | 1.00Å | |
| SAB | H1 | sing | 1.41Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CAD | CAF | 119.7° | 120.2° |
| CAD | CAC | CAE | 121.3° | 120.2° |
| CAC | CAD | H3 | 120.2° | 119.9° |
| CAD | CAC | H4 | 119.3° | 119.9° |
| CAD | CAF | CAM | 119.5° | 120.0° |
| CAD | CAF | H2 | 120.3° | 120.0° |
| CAF | CAD | H3 | 120.1° | 119.9° |
| CAC | CAE | CAL | 119.4° | 120.1° |
| CAE | CAC | H4 | 119.4° | 119.9° |
| CAC | CAE | H5 | 120.3° | 119.9° |
| CAF | CAM | CAL | 120.6° | 119.8° |
| CAF | CAM | NAO | 124.2° | 120.1° |
| CAM | CAF | H2 | 120.3° | 120.0° |
| CAE | CAL | CAM | 119.5° | 119.7° |
| CAE | CAL | NAI | 119.5° | 119.7° |
| CAL | CAE | H5 | 120.3° | 120.0° |
| SAB | CAK | NAO | 127.1° | 126.4° |
| SAB | CAK | NAH | 122.0° | 126.4° |
| CAK | SAB | H1 | 102.0° | 100.0° |
| CAL | CAM | NAO | 115.1° | 120.1° |
| CAM | CAL | NAI | 121.0° | 120.6° |
| CAM | NAO | CAK | 134.7° | 134.2° |
| CAM | NAO | CAN | 122.1° | 119.9° |
| CAL | NAI | CAJ | 125.2° | 120.7° |
| CAL | NAI | H6 | 117.4° | 119.7° |
| CAK | NAO | CAN | 103.1° | 105.9° |
| NAO | CAK | NAH | 110.8° | 107.2° |
| NAO | CAN | CAJ | 122.9° | 119.2° |
| NAO | CAN | NAG | 111.2° | 107.1° |
| CAK | NAH | NAG | 107.7° | 110.1° |
| NAI | CAJ | CAN | 113.6° | 119.5° |
| NAI | CAJ | OAA | 125.9° | 120.3° |
| CAJ | NAI | H6 | 117.4° | 119.7° |
| CAJ | CAN | NAG | 125.8° | 133.7° |
| CAN | CAJ | OAA | 120.5° | 120.2° |
| CAN | NAG | NAH | 107.1° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAD | CAF | H3 | 180.0° | 180.0° |
| CAD | CAC | CAE | H4 | 180.0° | 180.0° |
| CAC | CAD | CAF | CAM | 0.4° | 0.0° |
| CAD | CAC | CAE | CAL | 0.3° | 0.0° |
| CAC | CAD | CAF | H2 | 179.6° | 180.0° |
| CAD | CAC | CAE | H5 | 179.8° | 180.0° |
| CAF | CAD | CAC | CAE | 0.2° | 0.0° |
| CAD | CAF | CAM | H2 | 180.0° | 180.0° |
| CAD | CAF | CAM | CAL | 1.0° | 0.0° |
| CAD | CAF | CAM | NAO | 179.4° | 179.8° |
| CAF | CAD | CAC | H4 | 179.8° | 180.0° |
| CAC | CAE | CAL | H5 | 180.0° | 180.0° |
| CAC | CAE | CAL | CAM | 0.3° | 0.0° |
| CAC | CAE | CAL | NAI | 179.7° | 180.0° |
| CAE | CAC | CAD | H3 | 179.8° | 180.0° |
| CAF | CAM | CAL | CAE | 0.9° | 0.0° |
| CAF | CAM | CAL | NAO | 178.6° | 179.8° |
| CAF | CAM | CAL | NAI | 179.7° | 180.0° |
| CAF | CAM | NAO | CAK | 1.9° | 0.2° |
| CAF | CAM | NAO | CAN | 179.8° | 179.7° |
| CAM | CAF | CAD | H3 | 179.6° | 180.0° |
| CAE | CAL | CAM | NAI | 179.4° | 180.0° |
| CAE | CAL | CAM | NAO | 179.5° | 179.8° |
| CAE | CAL | NAI | CAJ | 179.6° | 179.4° |
| CAL | CAE | CAC | H4 | 179.7° | 180.0° |
| CAE | CAL | NAI | H6 | 0.4° | 0.0° |
| SAB | CAK | NAO | CAM | 2.5° | 0.1° |
| SAB | CAK | NAO | NAH | 178.8° | 180.0° |
| SAB | CAK | NAO | CAN | 179.1° | 180.0° |
| SAB | CAK | NAH | NAG | 178.7° | 180.0° |
| CAL | CAM | NAO | CAK | 179.5° | 179.9° |
| CAL | CAM | NAO | CAN | 1.3° | 0.0° |
| CAM | CAL | NAI | CAJ | 0.2° | 0.6° |
| CAL | CAM | CAF | H2 | 179.0° | 180.0° |
| CAM | CAL | CAE | H5 | 179.7° | 180.0° |
| CAM | CAL | NAI | H6 | 179.9° | 180.0° |
| NAO | CAM | CAL | NAI | 1.1° | 0.3° |
| CAM | NAO | CAK | CAN | 178.5° | 179.9° |
| CAM | NAO | CAK | NAH | 178.8° | 179.9° |
| CAM | NAO | CAN | CAJ | 0.7° | 0.1° |
| CAM | NAO | CAN | NAG | 179.3° | 179.9° |
| NAO | CAM | CAF | H2 | 0.6° | 0.2° |
| CAL | NAI | CAJ | H6 | 180.0° | 179.4° |
| CAL | NAI | CAJ | CAN | 0.5° | 0.6° |
| CAL | NAI | CAJ | OAA | 179.9° | 179.7° |
| NAI | CAL | CAE | H5 | 0.3° | 0.1° |
| CAK | NAO | CAN | CAJ | 179.4° | 180.0° |
| CAK | NAO | CAN | NAG | 0.6° | 0.0° |
| NAO | CAK | NAH | NAG | 0.1° | 0.0° |
| NAO | CAK | SAB | H1 | 178.6° | 90.0° |
| CAN | NAO | CAK | NAH | 0.3° | 0.1° |
| NAO | CAN | CAJ | NAI | 0.3° | 0.2° |
| NAO | CAN | CAJ | NAG | 180.0° | 180.0° |
| NAO | CAN | NAG | NAH | 0.7° | 0.0° |
| NAO | CAN | CAJ | OAA | 179.7° | 179.9° |
| CAK | NAH | NAG | CAN | 0.5° | 0.0° |
| NAH | CAK | SAB | H1 | 0.0° | 90.0° |
| NAI | CAJ | CAN | OAA | 179.4° | 179.7° |
| NAI | CAJ | CAN | NAG | 179.7° | 179.7° |
| CAJ | CAN | NAG | NAH | 179.3° | 180.0° |
| CAN | CAJ | NAI | H6 | 179.5° | 180.0° |
| NAG | CAN | CAJ | OAA | 0.2° | 0.0° |
| OAA | CAJ | NAI | H6 | 0.0° | 0.3° |
| H2 | CAF | CAD | H3 | 0.4° | 0.0° |
| H3 | CAD | CAC | H4 | 0.2° | 0.0° |
| H4 | CAC | CAE | H5 | 0.3° | 0.0° |
