VR7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| SAN | CAO | sing | 1.76Å | 1.70Å | Aromatic |
| SAN | CAM | sing | 1.76Å | 1.69Å | Aromatic |
| CAO | CAK | doub | 1.35Å | 1.41Å | Aromatic |
| CAM | CAL | doub | 1.33Å | 1.41Å | Aromatic |
| OAI | CAH | doub | 1.22Å | 1.26Å | |
| CAK | CAL | sing | 1.39Å | 1.43Å | Aromatic |
| CAK | CAF | sing | 1.48Å | 1.53Å | |
| CAA | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAA | CAB | sing | 1.40Å | 1.39Å | Aromatic |
| CAH | CAB | sing | 1.47Å | 1.53Å | |
| CAH | OAJ | sing | 1.35Å | 1.27Å | |
| CAF | CAE | sing | 1.40Å | 1.39Å | Aromatic |
| CAB | CAC | doub | 1.40Å | 1.39Å | Aromatic |
| CAE | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAD | sing | 1.39Å | 1.39Å | Aromatic |
| CAC | OAG | sing | 1.36Å | 1.40Å | |
| CAA | H1 | sing | 1.08Å | 1.08Å | |
| CAD | H2 | sing | 1.08Å | 1.08Å | |
| CAE | H3 | sing | 1.08Å | 1.08Å | |
| CAL | H4 | sing | 1.08Å | 1.08Å | |
| CAM | H5 | sing | 1.08Å | 1.08Å | |
| CAO | H6 | sing | 1.08Å | 1.08Å | |
| OAG | H7 | sing | 0.97Å | 0.95Å | |
| OAJ | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAO | SAN | CAM | 100.1° | 91.1° |
| SAN | CAO | CAK | 105.4° | 109.6° |
| SAN | CAO | H6 | 127.3° | 125.2° |
| SAN | CAM | CAL | 105.5° | 109.9° |
| SAN | CAM | H5 | 127.3° | 125.0° |
| CAO | CAK | CAL | 114.5° | 114.5° |
| CAO | CAK | CAF | 122.6° | 122.7° |
| CAK | CAO | H6 | 127.3° | 125.2° |
| CAM | CAL | CAK | 114.5° | 115.0° |
| CAM | CAL | H4 | 122.7° | 122.5° |
| CAL | CAM | H5 | 127.2° | 125.1° |
| OAI | CAH | CAB | 119.3° | 120.0° |
| OAI | CAH | OAJ | 119.8° | 120.0° |
| CAL | CAK | CAF | 122.9° | 122.8° |
| CAK | CAL | H4 | 122.7° | 122.5° |
| CAK | CAF | CAA | 120.1° | 120.0° |
| CAK | CAF | CAE | 120.3° | 119.9° |
| CAF | CAA | CAB | 120.6° | 119.7° |
| CAA | CAF | CAE | 119.6° | 120.1° |
| CAF | CAA | H1 | 119.7° | 120.1° |
| CAA | CAB | CAH | 119.6° | 120.1° |
| CAA | CAB | CAC | 119.6° | 119.8° |
| CAB | CAA | H1 | 119.7° | 120.2° |
| CAB | CAH | OAJ | 120.9° | 120.0° |
| CAH | CAB | CAC | 120.8° | 120.2° |
| CAH | OAJ | H8 | 109.5° | 117.0° |
| CAF | CAE | CAD | 120.0° | 120.2° |
| CAF | CAE | H3 | 120.0° | 119.9° |
| CAB | CAC | CAD | 119.9° | 119.9° |
| CAB | CAC | OAG | 120.1° | 120.0° |
| CAE | CAD | CAC | 120.3° | 120.2° |
| CAE | CAD | H2 | 119.9° | 119.9° |
| CAD | CAE | H3 | 120.0° | 119.9° |
| CAD | CAC | OAG | 119.9° | 120.0° |
| CAC | CAD | H2 | 119.9° | 119.9° |
| CAC | OAG | H7 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| SAN | CAO | CAK | H6 | 180.0° | 179.6° |
| CAO | SAN | CAM | CAL | 0.4° | 0.2° |
| SAN | CAO | CAK | CAL | 0.0° | 0.4° |
| SAN | CAO | CAK | CAF | 179.1° | 179.9° |
| CAO | SAN | CAM | H5 | 179.6° | 179.9° |
| CAM | SAN | CAO | CAK | 0.2° | 0.3° |
| SAN | CAM | CAL | H5 | 180.0° | 180.0° |
| SAN | CAM | CAL | CAK | 0.4° | 0.0° |
| SAN | CAM | CAL | H4 | 179.6° | 179.9° |
| CAM | SAN | CAO | H6 | 179.8° | 179.9° |
| CAO | CAK | CAL | CAM | 0.3° | 0.3° |
| CAO | CAK | CAL | CAF | 179.1° | 179.7° |
| CAO | CAK | CAF | CAA | 11.0° | 0.4° |
| CAO | CAK | CAF | CAE | 168.1° | 179.7° |
| CAO | CAK | CAL | H4 | 179.7° | 179.8° |
| CAM | CAL | CAK | H4 | 180.0° | 179.9° |
| CAM | CAL | CAK | CAF | 179.4° | 180.0° |
| OAI | CAH | CAB | CAA | 17.9° | 180.0° |
| OAI | CAH | CAB | OAJ | 179.5° | 180.0° |
| OAI | CAH | CAB | CAC | 162.3° | 0.0° |
| OAI | CAH | OAJ | H8 | 0.0° | 0.0° |
| CAL | CAK | CAF | CAA | 169.9° | 180.0° |
| CAL | CAK | CAF | CAE | 11.0° | 0.1° |
| CAK | CAL | CAM | H5 | 179.6° | 179.9° |
| CAL | CAK | CAO | H6 | 180.0° | 180.0° |
| CAK | CAF | CAA | CAE | 179.1° | 179.9° |
| CAK | CAF | CAA | CAB | 179.3° | 180.0° |
| CAK | CAF | CAE | CAD | 179.0° | 180.0° |
| CAK | CAF | CAA | H1 | 0.7° | 0.4° |
| CAK | CAF | CAE | H3 | 1.0° | 0.0° |
| CAF | CAK | CAL | H4 | 0.6° | 0.1° |
| CAF | CAK | CAO | H6 | 0.9° | 0.4° |
| CAF | CAA | CAB | H1 | 180.0° | 179.6° |
| CAF | CAA | CAB | CAH | 179.6° | 180.0° |
| CAF | CAA | CAB | CAC | 0.2° | 0.0° |
| CAA | CAF | CAE | CAD | 0.0° | 0.1° |
| CAA | CAF | CAE | H3 | 180.0° | 179.9° |
| CAA | CAB | CAH | CAC | 179.8° | 180.0° |
| CAA | CAB | CAH | OAJ | 161.6° | 0.0° |
| CAB | CAA | CAF | CAE | 0.2° | 0.1° |
| CAA | CAB | CAC | CAD | 0.1° | 0.0° |
| CAA | CAB | CAC | OAG | 179.8° | 179.9° |
| CAH | CAB | CAC | CAD | 179.9° | 179.9° |
| CAH | CAB | CAC | OAG | 0.0° | 0.0° |
| CAH | CAB | CAA | H1 | 0.4° | 0.4° |
| CAB | CAH | OAJ | H8 | 179.5° | 180.0° |
| OAJ | CAH | CAB | CAC | 18.3° | 180.0° |
| CAF | CAE | CAD | H3 | 180.0° | 180.0° |
| CAF | CAE | CAD | CAC | 0.3° | 0.0° |
| CAE | CAF | CAA | H1 | 179.8° | 179.7° |
| CAF | CAE | CAD | H2 | 179.7° | 180.0° |
| CAB | CAC | CAD | CAE | 0.4° | 0.0° |
| CAB | CAC | CAD | OAG | 179.9° | 179.9° |
| CAC | CAB | CAA | H1 | 179.8° | 179.7° |
| CAB | CAC | CAD | H2 | 179.6° | 180.0° |
| CAB | CAC | OAG | H7 | 180.0° | 90.0° |
| CAE | CAD | CAC | H2 | 180.0° | 180.0° |
| CAE | CAD | CAC | OAG | 179.6° | 179.9° |
| CAC | CAD | CAE | H3 | 179.6° | 180.0° |
| CAD | CAC | OAG | H7 | 0.1° | 90.0° |
| OAG | CAC | CAD | H2 | 0.4° | 0.0° |
| H2 | CAD | CAE | H3 | 0.3° | 0.0° |
| H4 | CAL | CAM | H5 | 0.4° | 0.0° |
