5VJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | SAP | doub | 1.42Å | 1.51Å | |
| CAC | CAG | doub | 1.38Å | 1.43Å | Aromatic |
| CAC | CAD | sing | 1.38Å | 1.47Å | Aromatic |
| CAG | CAL | sing | 1.39Å | 1.38Å | Aromatic |
| CAD | CAH | doub | 1.38Å | 1.43Å | Aromatic |
| CAL | NAK | sing | 1.40Å | 1.45Å | |
| CAL | CAM | doub | 1.40Å | 1.52Å | Aromatic |
| NAK | SAP | sing | 1.66Å | 1.53Å | |
| CAH | CAM | sing | 1.40Å | 1.39Å | Aromatic |
| CAM | CAN | sing | 1.48Å | 1.54Å | |
| SAP | CAO | sing | 1.77Å | 1.68Å | |
| SAP | OAB | doub | 1.42Å | 1.50Å | |
| CAN | CAO | doub | 1.39Å | 1.38Å | Aromatic |
| CAN | CAI | sing | 1.40Å | 1.41Å | Aromatic |
| CAO | CAJ | sing | 1.38Å | 1.41Å | Aromatic |
| CAI | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | H1 | sing | 1.08Å | 1.08Å | |
| CAF | H2 | sing | 1.08Å | 1.08Å | |
| CAE | H3 | sing | 1.08Å | 1.08Å | |
| CAI | H4 | sing | 1.08Å | 1.08Å | |
| CAH | H5 | sing | 1.08Å | 1.08Å | |
| CAD | H6 | sing | 1.08Å | 1.08Å | |
| CAC | H7 | sing | 1.08Å | 1.08Å | |
| CAG | H8 | sing | 1.08Å | 1.08Å | |
| NAK | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | SAP | NAK | 107.1° | 106.8° |
| OAA | SAP | CAO | 108.1° | 106.8° |
| OAA | SAP | OAB | 106.5° | 123.5° |
| CAG | CAC | CAD | 120.2° | 120.0° |
| CAC | CAG | CAL | 119.9° | 120.3° |
| CAG | CAC | H7 | 119.9° | 120.0° |
| CAC | CAG | H8 | 120.0° | 119.8° |
| CAC | CAD | CAH | 120.4° | 120.2° |
| CAC | CAD | H6 | 119.8° | 119.9° |
| CAD | CAC | H7 | 119.9° | 120.0° |
| CAG | CAL | NAK | 120.0° | 118.2° |
| CAG | CAL | CAM | 120.0° | 119.9° |
| CAL | CAG | H8 | 120.0° | 119.8° |
| CAD | CAH | CAM | 119.5° | 120.4° |
| CAD | CAH | H5 | 120.3° | 119.8° |
| CAH | CAD | H6 | 119.8° | 119.8° |
| NAK | CAL | CAM | 120.1° | 121.8° |
| CAL | NAK | SAP | 118.5° | 118.0° |
| CAL | NAK | H9 | 107.2° | 121.0° |
| CAL | CAM | CAH | 120.1° | 119.0° |
| CAL | CAM | CAN | 124.5° | 122.9° |
| NAK | SAP | CAO | 119.0° | 104.5° |
| NAK | SAP | OAB | 107.7° | 106.9° |
| SAP | NAK | H9 | 107.1° | 121.0° |
| CAH | CAM | CAN | 115.4° | 118.0° |
| CAM | CAH | H5 | 120.3° | 119.7° |
| CAM | CAN | CAO | 117.8° | 121.3° |
| CAM | CAN | CAI | 122.1° | 119.6° |
| CAO | SAP | OAB | 107.9° | 106.9° |
| SAP | CAO | CAN | 120.1° | 118.5° |
| SAP | CAO | CAJ | 120.2° | 120.7° |
| CAO | CAN | CAI | 120.0° | 119.0° |
| CAN | CAO | CAJ | 119.7° | 120.8° |
| CAN | CAI | CAE | 119.9° | 119.9° |
| CAN | CAI | H4 | 120.0° | 120.0° |
| CAO | CAJ | CAF | 120.3° | 119.7° |
| CAO | CAJ | H1 | 119.8° | 120.1° |
| CAI | CAE | CAF | 120.1° | 120.4° |
| CAI | CAE | H3 | 119.9° | 119.8° |
| CAE | CAI | H4 | 120.0° | 120.0° |
| CAJ | CAF | CAE | 119.9° | 120.0° |
| CAF | CAJ | H1 | 119.9° | 120.2° |
| CAJ | CAF | H2 | 120.1° | 120.0° |
| CAE | CAF | H2 | 120.1° | 120.0° |
| CAF | CAE | H3 | 119.9° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | SAP | NAK | CAL | 123.2° | 72.6° |
| OAA | SAP | NAK | CAO | 122.8° | 113.0° |
| OAA | SAP | NAK | OAB | 114.1° | 134.0° |
| OAA | SAP | CAO | OAB | 114.8° | 134.0° |
| OAA | SAP | CAO | CAN | 122.7° | 87.3° |
| OAA | SAP | CAO | CAJ | 57.5° | 92.6° |
| OAA | SAP | NAK | H9 | 115.6° | 107.3° |
| CAG | CAC | CAD | H7 | 180.0° | 180.0° |
| CAC | CAG | CAL | H8 | 180.0° | 179.9° |
| CAG | CAC | CAD | CAH | 0.4° | 0.7° |
| CAC | CAG | CAL | NAK | 179.8° | 178.4° |
| CAC | CAG | CAL | CAM | 0.0° | 1.1° |
| CAG | CAC | CAD | H6 | 179.6° | 179.3° |
| CAD | CAC | CAG | CAL | 0.3° | 0.4° |
| CAC | CAD | CAH | H6 | 180.0° | 180.0° |
| CAC | CAD | CAH | CAM | 0.3° | 0.4° |
| CAC | CAD | CAH | H5 | 179.7° | 179.6° |
| CAD | CAC | CAG | H8 | 179.7° | 179.5° |
| CAG | CAL | NAK | CAM | 179.8° | 179.5° |
| CAG | CAL | NAK | SAP | 179.6° | 148.8° |
| CAG | CAL | CAM | CAH | 0.1° | 2.2° |
| CAG | CAL | CAM | CAN | 179.8° | 179.1° |
| CAL | CAG | CAC | H7 | 179.7° | 179.6° |
| CAG | CAL | NAK | H9 | 58.3° | 31.1° |
| CAD | CAH | CAM | CAL | 0.0° | 1.8° |
| CAD | CAH | CAM | H5 | 180.0° | 180.0° |
| CAD | CAH | CAM | CAN | 179.9° | 179.3° |
| CAH | CAD | CAC | H7 | 179.5° | 179.3° |
| CAL | NAK | SAP | H9 | 121.3° | 179.9° |
| NAK | CAL | CAM | CAH | 179.9° | 177.3° |
| NAK | CAL | CAM | CAN | 0.0° | 1.4° |
| CAL | NAK | SAP | CAO | 0.4° | 40.4° |
| CAL | NAK | SAP | OAB | 122.7° | 153.4° |
| NAK | CAL | CAG | H8 | 0.2° | 1.5° |
| CAM | CAL | NAK | SAP | 0.2° | 31.7° |
| CAL | CAM | CAH | CAN | 179.9° | 178.8° |
| CAL | CAM | CAN | CAO | 0.0° | 14.3° |
| CAL | CAM | CAN | CAI | 179.7° | 164.8° |
| CAL | CAM | CAH | H5 | 180.0° | 178.1° |
| CAM | CAL | CAG | H8 | 180.0° | 179.0° |
| CAM | CAL | NAK | H9 | 121.5° | 148.4° |
| NAK | SAP | CAO | OAB | 123.0° | 113.1° |
| NAK | SAP | CAO | CAN | 0.4° | 25.6° |
| NAK | SAP | CAO | CAJ | 179.7° | 154.4° |
| CAH | CAM | CAN | CAO | 179.9° | 166.9° |
| CAH | CAM | CAN | CAI | 0.4° | 14.0° |
| CAM | CAH | CAD | H6 | 179.7° | 179.6° |
| CAM | CAN | CAO | SAP | 0.2° | 1.4° |
| CAM | CAN | CAO | CAI | 179.7° | 179.1° |
| CAM | CAN | CAO | CAJ | 179.9° | 178.6° |
| CAM | CAN | CAI | CAE | 180.0° | 178.8° |
| CAM | CAN | CAI | H4 | 0.0° | 1.2° |
| CAN | CAM | CAH | H5 | 0.1° | 0.7° |
| SAP | CAO | CAN | CAJ | 179.8° | 180.0° |
| SAP | CAO | CAN | CAI | 179.9° | 179.4° |
| SAP | CAO | CAJ | CAF | 179.8° | 179.6° |
| SAP | CAO | CAJ | H1 | 0.1° | 0.4° |
| CAO | SAP | NAK | H9 | 121.7° | 139.7° |
| OAB | SAP | CAO | CAN | 122.6° | 138.7° |
| OAB | SAP | CAO | CAJ | 57.3° | 41.4° |
| OAB | SAP | NAK | H9 | 1.4° | 26.6° |
| CAO | CAN | CAI | CAE | 0.3° | 0.3° |
| CAN | CAO | CAJ | CAF | 0.0° | 0.3° |
| CAN | CAO | CAJ | H1 | 180.0° | 179.7° |
| CAO | CAN | CAI | H4 | 179.7° | 179.7° |
| CAI | CAN | CAO | CAJ | 0.2° | 0.5° |
| CAN | CAI | CAE | H4 | 180.0° | 180.0° |
| CAN | CAI | CAE | CAF | 0.2° | 0.1° |
| CAN | CAI | CAE | H3 | 179.8° | 180.0° |
| CAO | CAJ | CAF | H1 | 180.0° | 180.0° |
| CAO | CAJ | CAF | CAE | 0.1° | 0.1° |
| CAO | CAJ | CAF | H2 | 179.9° | 179.9° |
| CAI | CAE | CAF | CAJ | 0.0° | 0.3° |
| CAI | CAE | CAF | H3 | 180.0° | 180.0° |
| CAI | CAE | CAF | H2 | 180.0° | 179.7° |
| CAJ | CAF | CAE | H2 | 180.0° | 180.0° |
| CAJ | CAF | CAE | H3 | 180.0° | 179.8° |
| CAE | CAF | CAJ | H1 | 179.9° | 179.9° |
| CAF | CAE | CAI | H4 | 179.8° | 179.9° |
| H1 | CAJ | CAF | H2 | 0.1° | 0.1° |
| H2 | CAF | CAE | H3 | 0.0° | 0.2° |
| H3 | CAE | CAI | H4 | 0.2° | 0.0° |
| H5 | CAH | CAD | H6 | 0.3° | 0.5° |
| H6 | CAD | CAC | H7 | 0.4° | 0.7° |
| H7 | CAC | CAG | H8 | 0.3° | 0.5° |
