0QR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NA1 | CAM | sing | 1.39Å | 1.33Å | |
| CAM | NA3 | doub | 1.33Å | 1.35Å | Aromatic |
| CAM | CAO | sing | 1.39Å | 1.41Å | Aromatic |
| NA3 | CAK | sing | 1.33Å | 1.37Å | Aromatic |
| CAO | CAP | doub | 1.39Å | 1.43Å | Aromatic |
| CAK | NA2 | sing | 1.39Å | 1.37Å | |
| CAK | CAQ | doub | 1.39Å | 1.41Å | Aromatic |
| NA2 | SAB | sing | 1.66Å | 1.67Å | |
| CAP | CAQ | sing | 1.39Å | 1.43Å | Aromatic |
| OAA | SAB | doub | 1.42Å | 1.55Å | |
| SAB | OAR | doub | 1.42Å | 1.53Å | |
| SAB | CAC | sing | 1.76Å | 1.79Å | |
| CAI | CAC | doub | 1.38Å | 1.41Å | Aromatic |
| CAI | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAC | CAD | sing | 1.38Å | 1.41Å | Aromatic |
| CAD | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAH | CAF | doub | 1.38Å | 1.42Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.43Å | Aromatic |
| CAF | FAG | sing | 1.35Å | 1.34Å | |
| CAD | H1 | sing | 1.08Å | 1.08Å | |
| CAE | H2 | sing | 1.08Å | 1.08Å | |
| CAH | H3 | sing | 1.08Å | 1.08Å | |
| CAI | H4 | sing | 1.08Å | 1.08Å | |
| NA2 | H5 | sing | 0.97Å | 1.00Å | |
| CAQ | H6 | sing | 1.08Å | 1.08Å | |
| CAP | H7 | sing | 1.08Å | 1.08Å | |
| CAO | H8 | sing | 1.08Å | 1.08Å | |
| NA1 | H9 | sing | 0.97Å | 1.00Å | |
| NA1 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NA1 | CAM | NA3 | 115.5° | 119.7° |
| NA1 | CAM | CAO | 123.4° | 119.7° |
| CAM | NA1 | H9 | 109.5° | 120.0° |
| CAM | NA1 | H10 | 109.4° | 120.0° |
| NA3 | CAM | CAO | 121.1° | 120.7° |
| CAM | NA3 | CAK | 122.5° | 121.5° |
| CAM | CAO | CAP | 118.6° | 119.3° |
| CAM | CAO | H8 | 120.7° | 120.4° |
| NA3 | CAK | NA2 | 116.2° | 119.6° |
| NA3 | CAK | CAQ | 119.6° | 120.7° |
| CAO | CAP | CAQ | 119.0° | 118.6° |
| CAO | CAP | H7 | 120.5° | 120.7° |
| CAP | CAO | H8 | 120.7° | 120.4° |
| NA2 | CAK | CAQ | 124.2° | 119.7° |
| CAK | NA2 | SAB | 120.5° | 120.0° |
| CAK | NA2 | H5 | 106.6° | 120.0° |
| CAK | CAQ | CAP | 119.1° | 119.3° |
| CAK | CAQ | H6 | 120.4° | 120.4° |
| NA2 | SAB | OAA | 105.9° | 106.4° |
| NA2 | SAB | OAR | 117.1° | 106.4° |
| NA2 | SAB | CAC | 108.5° | 107.2° |
| SAB | NA2 | H5 | 106.7° | 120.0° |
| CAP | CAQ | H6 | 120.5° | 120.4° |
| CAQ | CAP | H7 | 120.5° | 120.7° |
| OAA | SAB | OAR | 111.2° | 123.1° |
| OAA | SAB | CAC | 108.4° | 106.4° |
| OAR | SAB | CAC | 105.5° | 106.4° |
| SAB | CAC | CAI | 118.4° | 120.0° |
| SAB | CAC | CAD | 117.9° | 119.9° |
| CAC | CAI | CAH | 116.0° | 120.0° |
| CAI | CAC | CAD | 123.7° | 120.1° |
| CAC | CAI | H4 | 122.0° | 120.0° |
| CAI | CAH | CAF | 119.8° | 120.0° |
| CAI | CAH | H3 | 120.1° | 120.0° |
| CAH | CAI | H4 | 122.0° | 120.0° |
| CAC | CAD | CAE | 121.5° | 120.0° |
| CAC | CAD | H1 | 119.2° | 120.0° |
| CAD | CAE | CAF | 114.3° | 120.0° |
| CAE | CAD | H1 | 119.3° | 120.0° |
| CAD | CAE | H2 | 122.9° | 120.0° |
| CAH | CAF | CAE | 124.7° | 120.0° |
| CAH | CAF | FAG | 114.9° | 120.0° |
| CAF | CAH | H3 | 120.1° | 120.0° |
| CAE | CAF | FAG | 120.3° | 120.0° |
| CAF | CAE | H2 | 122.8° | 120.0° |
| H9 | NA1 | H10 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NA1 | CAM | NA3 | CAO | 178.6° | 180.0° |
| NA1 | CAM | NA3 | CAK | 179.7° | 179.9° |
| NA1 | CAM | CAO | CAP | 178.7° | 179.7° |
| NA1 | CAM | CAO | H8 | 1.2° | 0.0° |
| CAM | NA1 | H9 | H10 | 120.0° | 179.9° |
| NA3 | CAM | CAO | CAP | 2.8° | 0.3° |
| CAM | NA3 | CAK | NA2 | 180.0° | 180.0° |
| CAM | NA3 | CAK | CAQ | 0.5° | 0.4° |
| NA3 | CAM | CAO | H8 | 177.2° | 179.9° |
| NA3 | CAM | NA1 | H9 | 0.0° | 0.0° |
| NA3 | CAM | NA1 | H10 | 120.0° | 180.0° |
| CAO | CAM | NA3 | CAK | 1.1° | 0.1° |
| CAM | CAO | CAP | H8 | 180.0° | 179.7° |
| CAM | CAO | CAP | CAQ | 2.8° | 0.3° |
| CAM | CAO | CAP | H7 | 177.2° | 179.7° |
| CAO | CAM | NA1 | H9 | 178.6° | 180.0° |
| CAO | CAM | NA1 | H10 | 58.5° | 0.0° |
| NA3 | CAK | NA2 | CAQ | 179.5° | 179.6° |
| NA3 | CAK | NA2 | SAB | 175.9° | 0.3° |
| NA3 | CAK | CAQ | CAP | 0.4° | 0.3° |
| NA3 | CAK | NA2 | H5 | 62.6° | 179.6° |
| NA3 | CAK | CAQ | H6 | 179.6° | 179.6° |
| CAO | CAP | CAQ | CAK | 1.3° | 0.0° |
| CAO | CAP | CAQ | H7 | 180.0° | 180.0° |
| CAO | CAP | CAQ | H6 | 178.7° | 180.0° |
| CAK | NA2 | SAB | H5 | 121.5° | 180.0° |
| NA2 | CAK | CAQ | CAP | 179.9° | 180.0° |
| CAK | NA2 | SAB | OAA | 157.8° | 48.6° |
| CAK | NA2 | SAB | OAR | 33.2° | 178.5° |
| CAK | NA2 | SAB | CAC | 86.0° | 65.0° |
| NA2 | CAK | CAQ | H6 | 0.1° | 0.0° |
| CAQ | CAK | NA2 | SAB | 3.6° | 180.0° |
| CAK | CAQ | CAP | H6 | 180.0° | 180.0° |
| CAQ | CAK | NA2 | H5 | 117.9° | 0.0° |
| CAK | CAQ | CAP | H7 | 178.7° | 180.0° |
| NA2 | SAB | OAA | OAR | 128.2° | 122.9° |
| NA2 | SAB | OAA | CAC | 116.2° | 114.1° |
| NA2 | SAB | OAR | CAC | 120.7° | 114.1° |
| NA2 | SAB | CAC | CAI | 23.1° | 90.0° |
| NA2 | SAB | CAC | CAD | 158.5° | 90.5° |
| CAQ | CAP | CAO | H8 | 177.2° | 180.0° |
| OAA | SAB | OAR | CAC | 117.4° | 123.0° |
| OAA | SAB | CAC | CAI | 91.4° | 156.5° |
| OAA | SAB | CAC | CAD | 86.9° | 23.0° |
| OAA | SAB | NA2 | H5 | 80.7° | 131.4° |
| OAR | SAB | CAC | CAI | 149.4° | 23.5° |
| OAR | SAB | CAC | CAD | 32.3° | 155.9° |
| OAR | SAB | NA2 | H5 | 154.7° | 1.5° |
| SAB | CAC | CAI | CAD | 178.2° | 179.5° |
| SAB | CAC | CAI | CAH | 179.3° | 180.0° |
| SAB | CAC | CAD | CAE | 178.6° | 180.0° |
| SAB | CAC | CAD | H1 | 1.4° | 0.3° |
| SAB | CAC | CAI | H4 | 0.8° | 0.5° |
| CAC | SAB | NA2 | H5 | 35.6° | 115.0° |
| CAC | CAI | CAH | H4 | 180.0° | 179.5° |
| CAI | CAC | CAD | CAE | 0.3° | 0.5° |
| CAC | CAI | CAH | CAF | 0.8° | 0.2° |
| CAI | CAC | CAD | H1 | 179.7° | 179.8° |
| CAC | CAI | CAH | H3 | 179.2° | 179.7° |
| CAH | CAI | CAC | CAD | 1.1° | 0.5° |
| CAI | CAH | CAF | H3 | 180.0° | 180.0° |
| CAI | CAH | CAF | CAE | 0.2° | 0.0° |
| CAI | CAH | CAF | FAG | 180.0° | 180.0° |
| CAC | CAD | CAE | H1 | 180.0° | 179.7° |
| CAC | CAD | CAE | CAF | 0.6° | 0.3° |
| CAC | CAD | CAE | H2 | 179.3° | 179.8° |
| CAD | CAC | CAI | H4 | 179.0° | 180.0° |
| CAD | CAE | CAF | CAH | 0.9° | 0.0° |
| CAD | CAE | CAF | H2 | 180.0° | 179.9° |
| CAD | CAE | CAF | FAG | 179.3° | 180.0° |
| CAH | CAF | CAE | FAG | 179.8° | 180.0° |
| CAH | CAF | CAE | H2 | 179.1° | 179.9° |
| CAF | CAH | CAI | H4 | 179.3° | 179.7° |
| CAF | CAE | CAD | H1 | 179.4° | 179.9° |
| CAE | CAF | CAH | H3 | 179.8° | 180.0° |
| FAG | CAF | CAE | H2 | 0.7° | 0.1° |
| FAG | CAF | CAH | H3 | 0.0° | 0.0° |
| H1 | CAD | CAE | H2 | 0.7° | 0.1° |
| H3 | CAH | CAI | H4 | 0.7° | 0.3° |
| H6 | CAQ | CAP | H7 | 1.3° | 0.0° |
| H7 | CAP | CAO | H8 | 2.8° | 0.0° |
