KLS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAM | NAL | sing | 1.47Å | 1.46Å | |
| NAL | CAK | sing | 1.35Å | 1.33Å | |
| CAK | OAJ | doub | 1.22Å | 1.23Å | |
| CAK | NAN | sing | 1.35Å | 1.36Å | |
| NAN | CAB | sing | 1.38Å | 1.34Å | |
| CAB | NAA | doub | 1.30Å | 1.33Å | |
| CAB | NAC | sing | 1.38Å | 1.35Å | |
| NAC | CAD | sing | 1.40Å | 1.36Å | |
| CAD | CAE | sing | 1.39Å | 1.39Å | Aromatic |
| CAD | CAI | doub | 1.39Å | 1.40Å | Aromatic |
| CAE | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAM | HAM1 | sing | 1.09Å | 1.10Å | |
| CAM | HAM2 | sing | 1.09Å | 1.10Å | |
| CAM | HAM3 | sing | 1.09Å | 1.10Å | |
| NAL | HAL | sing | 0.97Å | 1.00Å | |
| NAN | HAN | sing | 0.97Å | 1.00Å | |
| NAA | HAA | sing | 0.97Å | 1.00Å | |
| NAC | HAC | sing | 0.97Å | 1.00Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAM | NAL | CAK | 118.2° | 120.0° |
| NAL | CAM | HAM1 | 109.5° | 109.4° |
| NAL | CAM | HAM2 | 109.5° | 109.5° |
| NAL | CAM | HAM3 | 109.5° | 109.4° |
| CAM | NAL | HAL | 120.9° | 120.0° |
| NAL | CAK | OAJ | 122.4° | 120.0° |
| NAL | CAK | NAN | 116.6° | 120.0° |
| CAK | NAL | HAL | 120.9° | 120.0° |
| OAJ | CAK | NAN | 121.0° | 120.0° |
| CAK | NAN | CAB | 124.6° | 120.0° |
| CAK | NAN | HAN | 117.7° | 120.0° |
| NAN | CAB | NAA | 119.1° | 120.0° |
| NAN | CAB | NAC | 119.4° | 120.0° |
| CAB | NAN | HAN | 117.7° | 120.0° |
| NAA | CAB | NAC | 121.5° | 120.0° |
| CAB | NAA | HAA | 110.4° | 120.0° |
| CAB | NAC | CAD | 126.9° | 120.0° |
| CAB | NAC | HAC | 116.6° | 120.0° |
| NAC | CAD | CAE | 118.9° | 120.1° |
| NAC | CAD | CAI | 123.6° | 120.1° |
| CAD | NAC | HAC | 116.5° | 120.0° |
| CAE | CAD | CAI | 117.5° | 119.8° |
| CAD | CAE | CAF | 121.0° | 120.0° |
| CAD | CAE | HAE | 119.5° | 120.0° |
| CAD | CAI | CAH | 121.5° | 119.9° |
| CAD | CAI | HAI | 119.2° | 120.0° |
| CAE | CAF | CAG | 120.9° | 120.1° |
| CAF | CAE | HAE | 119.5° | 120.0° |
| CAE | CAF | HAF | 119.6° | 120.0° |
| CAF | CAG | CAH | 118.8° | 120.1° |
| CAG | CAF | HAF | 119.5° | 119.9° |
| CAF | CAG | HAG | 120.6° | 120.0° |
| CAG | CAH | CAI | 120.4° | 120.1° |
| CAH | CAG | HAG | 120.6° | 119.9° |
| CAG | CAH | HAH | 119.8° | 120.0° |
| CAH | CAI | HAI | 119.3° | 120.0° |
| CAI | CAH | HAH | 119.8° | 120.0° |
| HAM1 | CAM | HAM2 | 109.4° | 109.5° |
| HAM1 | CAM | HAM3 | 109.5° | 109.5° |
| HAM2 | CAM | HAM3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAM | NAL | CAK | HAL | 180.0° | 179.9° |
| CAM | NAL | CAK | OAJ | 2.1° | 0.0° |
| CAM | NAL | CAK | NAN | 176.8° | 179.9° |
| NAL | CAM | HAM1 | HAM2 | 120.0° | 120.0° |
| NAL | CAM | HAM1 | HAM3 | 120.0° | 119.9° |
| NAL | CAM | HAM2 | HAM3 | 120.0° | 119.9° |
| NAL | CAK | OAJ | NAN | 178.8° | 180.0° |
| NAL | CAK | NAN | CAB | 178.4° | 179.9° |
| CAK | NAL | CAM | HAM1 | 101.0° | 180.0° |
| CAK | NAL | CAM | HAM2 | 139.0° | 59.9° |
| CAK | NAL | CAM | HAM3 | 19.0° | 60.1° |
| NAL | CAK | NAN | HAN | 1.6° | 0.0° |
| OAJ | CAK | NAN | CAB | 2.7° | 0.1° |
| OAJ | CAK | NAL | HAL | 177.9° | 179.9° |
| OAJ | CAK | NAN | HAN | 177.3° | 180.0° |
| CAK | NAN | CAB | HAN | 180.0° | 179.9° |
| CAK | NAN | CAB | NAA | 0.7° | 0.1° |
| CAK | NAN | CAB | NAC | 179.6° | 180.0° |
| NAN | CAK | NAL | HAL | 3.2° | 0.0° |
| NAN | CAB | NAA | NAC | 178.9° | 179.9° |
| NAN | CAB | NAC | CAD | 178.5° | 5.7° |
| NAN | CAB | NAA | HAA | 180.0° | 174.5° |
| NAN | CAB | NAC | HAC | 1.5° | 174.3° |
| NAA | CAB | NAC | CAD | 2.6° | 174.2° |
| NAA | CAB | NAN | HAN | 179.3° | 180.0° |
| NAA | CAB | NAC | HAC | 177.4° | 5.8° |
| CAB | NAC | CAD | HAC | 180.0° | 180.0° |
| CAB | NAC | CAD | CAE | 177.8° | 139.4° |
| CAB | NAC | CAD | CAI | 4.3° | 40.9° |
| NAC | CAB | NAN | HAN | 0.4° | 0.1° |
| NAC | CAB | NAA | HAA | 1.1° | 5.5° |
| NAC | CAD | CAE | CAI | 178.0° | 179.7° |
| NAC | CAD | CAE | CAF | 179.9° | 180.0° |
| NAC | CAD | CAI | CAH | 179.8° | 179.7° |
| NAC | CAD | CAE | HAE | 0.1° | 0.0° |
| NAC | CAD | CAI | HAI | 0.2° | 0.0° |
| CAD | CAE | CAF | HAE | 180.0° | 180.0° |
| CAD | CAE | CAF | CAG | 1.4° | 0.0° |
| CAE | CAD | CAI | CAH | 1.9° | 0.6° |
| CAE | CAD | NAC | HAC | 2.2° | 40.6° |
| CAE | CAD | CAI | HAI | 178.1° | 179.7° |
| CAD | CAE | CAF | HAF | 178.6° | 179.9° |
| CAI | CAD | CAE | CAF | 2.2° | 0.3° |
| CAD | CAI | CAH | CAG | 1.0° | 0.6° |
| CAD | CAI | CAH | HAI | 180.0° | 179.7° |
| CAI | CAD | NAC | HAC | 175.6° | 139.1° |
| CAI | CAD | CAE | HAE | 177.8° | 179.7° |
| CAD | CAI | CAH | HAH | 179.0° | 179.7° |
| CAE | CAF | CAG | HAF | 180.0° | 180.0° |
| CAE | CAF | CAG | CAH | 0.4° | 0.0° |
| CAE | CAF | CAG | HAG | 179.7° | 180.0° |
| CAF | CAG | CAH | HAG | 180.0° | 180.0° |
| CAF | CAG | CAH | CAI | 0.1° | 0.3° |
| CAG | CAF | CAE | HAE | 178.6° | 180.0° |
| CAF | CAG | CAH | HAH | 179.9° | 180.0° |
| CAG | CAH | CAI | HAH | 180.0° | 179.7° |
| CAG | CAH | CAI | HAI | 179.0° | 179.7° |
| CAH | CAG | CAF | HAF | 179.6° | 180.0° |
| CAI | CAH | CAG | HAG | 179.9° | 179.7° |
| HAM1 | CAM | HAM2 | HAM3 | 120.0° | 120.1° |
| HAM1 | CAM | NAL | HAL | 79.0° | 0.1° |
| HAM2 | CAM | NAL | HAL | 41.0° | 120.0° |
| HAM3 | CAM | NAL | HAL | 161.0° | 120.0° |
| HAE | CAE | CAF | HAF | 1.4° | 0.0° |
| HAI | CAI | CAH | HAH | 1.0° | 0.0° |
| HAF | CAF | CAG | HAG | 0.4° | 0.0° |
| HAG | CAG | CAH | HAH | 0.1° | 0.0° |
