4KL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAO | CAM | doub | 1.21Å | 1.29Å | |
| OAN | CAM | sing | 1.35Å | 1.26Å | |
| CAM | CAH | sing | 1.48Å | 1.37Å | |
| OAK | CAC | sing | 1.36Å | 1.42Å | |
| NAG | CAH | doub | 1.32Å | 1.37Å | Aromatic |
| NAG | CAD | sing | 1.33Å | 1.35Å | Aromatic |
| CAH | CAI | sing | 1.40Å | 1.41Å | Aromatic |
| CAC | CAD | doub | 1.41Å | 1.40Å | Aromatic |
| CAC | CAB | sing | 1.37Å | 1.38Å | Aromatic |
| CAD | CAE | sing | 1.42Å | 1.42Å | Aromatic |
| CAB | CAA | doub | 1.39Å | 1.40Å | Aromatic |
| CAI | CAJ | doub | 1.38Å | 1.41Å | Aromatic |
| CAE | CAJ | sing | 1.41Å | 1.40Å | Aromatic |
| CAE | CAF | doub | 1.40Å | 1.39Å | Aromatic |
| CAA | CAF | sing | 1.36Å | 1.39Å | Aromatic |
| CAJ | OAL | sing | 1.36Å | 1.33Å | |
| OAL | H1 | sing | 0.97Å | 0.95Å | |
| CAI | H2 | sing | 1.08Å | 1.08Å | |
| OAN | H3 | sing | 0.97Å | 0.95Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| CAA | H5 | sing | 1.08Å | 1.08Å | |
| CAB | H6 | sing | 1.08Å | 1.08Å | |
| OAK | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAO | CAM | OAN | 120.6° | 120.0° |
| OAO | CAM | CAH | 117.5° | 120.0° |
| OAN | CAM | CAH | 120.7° | 120.0° |
| CAM | OAN | H3 | 109.5° | 117.0° |
| CAM | CAH | NAG | 116.2° | 119.2° |
| CAM | CAH | CAI | 122.2° | 119.2° |
| OAK | CAC | CAD | 118.6° | 120.2° |
| OAK | CAC | CAB | 122.3° | 120.2° |
| CAC | OAK | H7 | 109.5° | 114.0° |
| CAH | NAG | CAD | 121.1° | 121.6° |
| NAG | CAH | CAI | 121.6° | 121.6° |
| NAG | CAD | CAC | 120.1° | 120.9° |
| NAG | CAD | CAE | 120.2° | 120.1° |
| CAH | CAI | CAJ | 117.4° | 119.6° |
| CAH | CAI | H2 | 121.3° | 120.2° |
| CAD | CAC | CAB | 119.0° | 119.6° |
| CAC | CAD | CAE | 119.7° | 119.0° |
| CAC | CAB | CAA | 121.3° | 121.0° |
| CAC | CAB | H6 | 119.4° | 119.6° |
| CAD | CAE | CAJ | 119.2° | 119.1° |
| CAD | CAE | CAF | 120.4° | 119.7° |
| CAB | CAA | CAF | 120.0° | 120.9° |
| CAB | CAA | H5 | 120.0° | 119.5° |
| CAA | CAB | H6 | 119.3° | 119.4° |
| CAI | CAJ | CAE | 120.5° | 118.0° |
| CAI | CAJ | OAL | 123.7° | 121.0° |
| CAJ | CAI | H2 | 121.3° | 120.2° |
| CAJ | CAE | CAF | 120.4° | 121.2° |
| CAE | CAJ | OAL | 115.5° | 121.0° |
| CAE | CAF | CAA | 119.4° | 119.8° |
| CAE | CAF | H4 | 120.3° | 120.1° |
| CAA | CAF | H4 | 120.3° | 120.1° |
| CAF | CAA | H5 | 120.0° | 119.6° |
| CAJ | OAL | H1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAO | CAM | OAN | CAH | 167.4° | 180.0° |
| OAO | CAM | CAH | NAG | 5.4° | 180.0° |
| OAO | CAM | CAH | CAI | 171.3° | 0.0° |
| OAO | CAM | OAN | H3 | 0.0° | 0.0° |
| OAN | CAM | CAH | NAG | 173.1° | 0.0° |
| OAN | CAM | CAH | CAI | 3.6° | 180.0° |
| CAM | CAH | NAG | CAI | 176.7° | 180.0° |
| CAM | CAH | NAG | CAD | 175.3° | 180.0° |
| CAM | CAH | CAI | CAJ | 178.0° | 179.9° |
| CAM | CAH | CAI | H2 | 2.0° | 0.1° |
| CAH | CAM | OAN | H3 | 167.4° | 180.0° |
| OAK | CAC | CAD | NAG | 1.4° | 0.0° |
| OAK | CAC | CAD | CAB | 177.3° | 179.8° |
| OAK | CAC | CAD | CAE | 179.1° | 179.7° |
| OAK | CAC | CAB | CAA | 178.1° | 179.7° |
| OAK | CAC | CAB | H6 | 1.9° | 0.1° |
| CAH | NAG | CAD | CAC | 178.5° | 180.0° |
| CAH | NAG | CAD | CAE | 2.0° | 0.3° |
| NAG | CAH | CAI | CAJ | 1.5° | 0.0° |
| NAG | CAH | CAI | H2 | 178.5° | 180.0° |
| CAD | NAG | CAH | CAI | 1.4° | 0.0° |
| NAG | CAD | CAC | CAE | 179.5° | 179.7° |
| NAG | CAD | CAC | CAB | 178.7° | 179.8° |
| NAG | CAD | CAE | CAJ | 0.4° | 0.5° |
| NAG | CAD | CAE | CAF | 178.6° | 180.0° |
| CAH | CAI | CAJ | H2 | 180.0° | 180.0° |
| CAH | CAI | CAJ | CAE | 3.9° | 0.2° |
| CAH | CAI | CAJ | OAL | 177.3° | 180.0° |
| CAD | CAC | CAB | CAA | 0.9° | 0.4° |
| CAC | CAD | CAE | CAJ | 179.1° | 179.7° |
| CAC | CAD | CAE | CAF | 1.9° | 0.3° |
| CAD | CAC | CAB | H6 | 179.1° | 179.8° |
| CAD | CAC | OAK | H7 | 180.0° | 90.0° |
| CAB | CAC | CAD | CAE | 1.8° | 0.5° |
| CAC | CAB | CAA | H6 | 180.0° | 179.8° |
| CAC | CAB | CAA | CAF | 0.1° | 0.2° |
| CAC | CAB | CAA | H5 | 179.9° | 179.7° |
| CAB | CAC | OAK | H7 | 2.8° | 90.1° |
| CAD | CAE | CAJ | CAI | 3.4° | 0.5° |
| CAD | CAE | CAJ | CAF | 179.0° | 179.5° |
| CAD | CAE | CAF | CAA | 1.0° | 0.0° |
| CAD | CAE | CAJ | OAL | 177.3° | 179.7° |
| CAD | CAE | CAF | H4 | 179.0° | 180.0° |
| CAB | CAA | CAF | CAE | 0.1° | 0.0° |
| CAB | CAA | CAF | H5 | 180.0° | 179.9° |
| CAB | CAA | CAF | H4 | 179.9° | 180.0° |
| CAI | CAJ | CAE | OAL | 174.0° | 179.8° |
| CAI | CAJ | CAE | CAF | 175.7° | 180.0° |
| CAI | CAJ | OAL | H1 | 180.0° | 90.0° |
| CAJ | CAE | CAF | CAA | 180.0° | 179.5° |
| CAE | CAJ | OAL | H1 | 6.3° | 90.3° |
| CAE | CAJ | CAI | H2 | 176.2° | 179.8° |
| CAJ | CAE | CAF | H4 | 0.0° | 0.6° |
| CAE | CAF | CAA | H4 | 180.0° | 180.0° |
| CAF | CAE | CAJ | OAL | 1.7° | 0.3° |
| CAE | CAF | CAA | H5 | 179.9° | 180.0° |
| CAF | CAA | CAB | H6 | 179.9° | 180.0° |
| OAL | CAJ | CAI | H2 | 2.7° | 0.0° |
| H4 | CAF | CAA | H5 | 0.1° | 0.0° |
| H5 | CAA | CAB | H6 | 0.1° | 0.0° |
