VJJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAM | doub | 1.21Å | 1.28Å | |
| OAB | CAM | sing | 1.35Å | 1.29Å | |
| CAC | CAD | doub | 1.38Å | 1.38Å | Aromatic |
| CAC | CAE | sing | 1.38Å | 1.38Å | Aromatic |
| CAD | CAG | sing | 1.38Å | 1.41Å | Aromatic |
| CAE | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAJ | sing | 1.38Å | 1.44Å | Aromatic |
| CAG | CAN | doub | 1.39Å | 1.43Å | Aromatic |
| CAH | CAN | sing | 1.39Å | 1.39Å | Aromatic |
| CAI | CAO | sing | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAP | doub | 1.40Å | 1.41Å | Aromatic |
| CAK | CAO | doub | 1.39Å | 1.41Å | Aromatic |
| CAK | CAP | sing | 1.40Å | 1.39Å | Aromatic |
| OAL | CAN | sing | 1.36Å | 1.33Å | |
| OAL | CAO | sing | 1.36Å | 1.35Å | |
| CAM | CAP | sing | 1.48Å | 1.38Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | 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 | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| OAB | HAB | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAM | OAB | 120.4° | 120.0° |
| OAA | CAM | CAP | 119.6° | 120.0° |
| OAB | CAM | CAP | 120.1° | 120.0° |
| CAM | OAB | HAB | 109.5° | 117.1° |
| CAD | CAC | CAE | 119.0° | 120.1° |
| CAC | CAD | CAG | 114.5° | 120.0° |
| CAD | CAC | HAC | 120.5° | 120.0° |
| CAC | CAD | HAD | 122.7° | 119.9° |
| CAC | CAE | CAH | 128.5° | 120.1° |
| CAE | CAC | HAC | 120.5° | 119.9° |
| CAC | CAE | HAE | 115.8° | 119.9° |
| CAD | CAG | CAN | 125.1° | 120.0° |
| CAG | CAD | HAD | 122.7° | 120.0° |
| CAD | CAG | HAG | 117.4° | 120.0° |
| CAE | CAH | CAN | 112.9° | 119.9° |
| CAH | CAE | HAE | 115.8° | 120.0° |
| CAE | CAH | HAH | 123.6° | 120.1° |
| CAI | CAF | CAJ | 119.0° | 120.2° |
| CAF | CAI | CAO | 121.3° | 120.3° |
| CAI | CAF | HAF | 120.5° | 119.9° |
| CAF | CAI | HAI | 119.4° | 119.9° |
| CAF | CAJ | CAP | 117.9° | 120.0° |
| CAJ | CAF | HAF | 120.5° | 119.9° |
| CAF | CAJ | HAJ | 121.0° | 120.0° |
| CAG | CAN | CAH | 119.8° | 119.9° |
| CAG | CAN | OAL | 116.4° | 120.1° |
| CAN | CAG | HAG | 117.4° | 120.0° |
| CAH | CAN | OAL | 123.5° | 120.1° |
| CAN | CAH | HAH | 123.6° | 120.0° |
| CAI | CAO | CAK | 121.0° | 120.0° |
| CAI | CAO | OAL | 119.4° | 120.0° |
| CAO | CAI | HAI | 119.3° | 119.9° |
| CAJ | CAP | CAK | 123.1° | 119.8° |
| CAJ | CAP | CAM | 115.3° | 120.1° |
| CAP | CAJ | HAJ | 121.0° | 120.0° |
| CAO | CAK | CAP | 117.5° | 119.8° |
| CAK | CAO | OAL | 119.4° | 120.0° |
| CAO | CAK | HAK | 121.3° | 120.1° |
| CAK | CAP | CAM | 121.2° | 120.1° |
| CAP | CAK | HAK | 121.3° | 120.1° |
| CAN | OAL | CAO | 126.9° | 118.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAM | OAB | CAP | 179.7° | 179.9° |
| OAA | CAM | CAP | CAJ | 151.9° | 180.0° |
| OAA | CAM | CAP | CAK | 22.1° | 0.1° |
| OAA | CAM | OAB | HAB | 0.0° | 0.0° |
| OAB | CAM | CAP | CAJ | 27.8° | 0.1° |
| OAB | CAM | CAP | CAK | 158.2° | 180.0° |
| CAD | CAC | CAE | HAC | 180.0° | 179.6° |
| CAC | CAD | CAG | HAD | 180.0° | 180.0° |
| CAD | CAC | CAE | CAH | 2.5° | 0.1° |
| CAC | CAD | CAG | CAN | 3.3° | 0.0° |
| CAD | CAC | CAE | HAE | 177.5° | 180.0° |
| CAC | CAD | CAG | HAG | 176.7° | 180.0° |
| CAE | CAC | CAD | CAG | 2.3° | 0.1° |
| CAC | CAE | CAH | HAE | 180.0° | 179.9° |
| CAC | CAE | CAH | CAN | 3.0° | 0.1° |
| CAE | CAC | CAD | HAD | 177.7° | 179.9° |
| CAC | CAE | CAH | HAH | 176.9° | 179.9° |
| CAD | CAG | CAN | HAG | 180.0° | 180.0° |
| CAD | CAG | CAN | CAH | 4.1° | 0.0° |
| CAD | CAG | CAN | OAL | 178.5° | 180.0° |
| CAG | CAD | CAC | HAC | 177.7° | 179.7° |
| CAE | CAH | CAN | CAG | 3.5° | 0.0° |
| CAE | CAH | CAN | HAH | 180.0° | 180.0° |
| CAE | CAH | CAN | OAL | 177.5° | 180.0° |
| CAH | CAE | CAC | HAC | 177.4° | 179.7° |
| CAI | CAF | CAJ | HAF | 180.0° | 179.7° |
| CAF | CAI | CAO | HAI | 180.0° | 179.9° |
| CAI | CAF | CAJ | CAP | 1.4° | 0.0° |
| CAF | CAI | CAO | CAK | 0.7° | 0.0° |
| CAF | CAI | CAO | OAL | 175.9° | 179.9° |
| CAI | CAF | CAJ | HAJ | 178.6° | 179.9° |
| CAJ | CAF | CAI | CAO | 2.1° | 0.0° |
| CAF | CAJ | CAP | HAJ | 180.0° | 179.9° |
| CAF | CAJ | CAP | CAK | 2.1° | 0.1° |
| CAF | CAJ | CAP | CAM | 175.9° | 180.0° |
| CAJ | CAF | CAI | HAI | 178.0° | 180.0° |
| CAG | CAN | CAH | OAL | 174.0° | 180.0° |
| CAG | CAN | OAL | CAO | 53.1° | 0.5° |
| CAN | CAG | CAD | HAD | 176.7° | 180.0° |
| CAG | CAN | CAH | HAH | 176.5° | 180.0° |
| CAH | CAN | OAL | CAO | 132.7° | 179.5° |
| CAN | CAH | CAE | HAE | 177.0° | 180.0° |
| CAH | CAN | CAG | HAG | 175.9° | 180.0° |
| CAI | CAO | CAK | OAL | 175.2° | 179.9° |
| CAI | CAO | CAK | CAP | 4.1° | 0.0° |
| CAI | CAO | OAL | CAN | 152.6° | 90.0° |
| CAO | CAI | CAF | HAF | 177.9° | 179.7° |
| CAI | CAO | CAK | HAK | 175.9° | 180.0° |
| CAJ | CAP | CAK | CAO | 4.8° | 0.1° |
| CAJ | CAP | CAK | CAM | 173.5° | 179.9° |
| CAP | CAJ | CAF | HAF | 178.6° | 179.7° |
| CAJ | CAP | CAK | HAK | 175.2° | 180.0° |
| CAO | CAK | CAP | HAK | 180.0° | 179.9° |
| CAK | CAO | OAL | CAN | 32.1° | 89.9° |
| CAO | CAK | CAP | CAM | 178.3° | 180.0° |
| CAK | CAO | CAI | HAI | 179.3° | 180.0° |
| CAP | CAK | CAO | OAL | 179.3° | 180.0° |
| CAK | CAP | CAJ | HAJ | 177.9° | 180.0° |
| OAL | CAN | CAG | HAG | 1.4° | 0.0° |
| OAL | CAN | CAH | HAH | 2.4° | 0.0° |
| OAL | CAO | CAI | HAI | 4.0° | 0.0° |
| OAL | CAO | CAK | HAK | 0.7° | 0.1° |
| CAM | CAP | CAJ | HAJ | 4.1° | 0.1° |
| CAM | CAP | CAK | HAK | 1.7° | 0.1° |
| CAP | CAM | OAB | HAB | 179.7° | 180.0° |
| HAC | CAC | CAD | HAD | 2.3° | 0.3° |
| HAC | CAC | CAE | HAE | 2.5° | 0.4° |
| HAD | CAD | CAG | HAG | 3.3° | 0.0° |
| HAE | CAE | CAH | HAH | 3.0° | 0.0° |
| HAF | CAF | CAI | HAI | 2.0° | 0.3° |
| HAF | CAF | CAJ | HAJ | 1.4° | 0.3° |
