VFB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | CAD | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | CAG | sing | 1.38Å | 1.35Å | Aromatic |
| CAB | CAD | doub | 1.39Å | 1.39Å | Aromatic |
| CAB | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CAD | CAK | sing | 1.40Å | 1.39Å | Aromatic |
| CAE | CAK | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | NAH | sing | 1.36Å | 1.36Å | Aromatic |
| CAF | NAI | doub | 1.30Å | 1.31Å | Aromatic |
| CAG | NAH | sing | 1.37Å | 1.32Å | Aromatic |
| CAG | NAL | doub | 1.32Å | 1.39Å | Aromatic |
| NAI | NAL | sing | 1.40Å | 1.38Å | Aromatic |
| CAK | NAL | sing | 1.37Å | 1.38Å | Aromatic |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| NAH | HNAH | sing | 0.97Å | 1.00Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAD | N1 | CAG | 109.6° | 107.5° |
| N1 | CAD | CAB | 131.4° | 133.7° |
| N1 | CAD | CAK | 107.7° | 106.4° |
| CAD | N1 | HN1 | 125.2° | 126.3° |
| N1 | CAG | NAH | 143.5° | 142.8° |
| N1 | CAG | NAL | 106.8° | 109.5° |
| CAG | N1 | HN1 | 125.2° | 126.3° |
| CAD | CAB | CAJ | 118.2° | 119.8° |
| CAB | CAD | CAK | 120.9° | 119.9° |
| CAD | CAB | HAB | 120.9° | 120.1° |
| CAB | CAJ | CAC | 120.8° | 120.4° |
| CAJ | CAB | HAB | 120.9° | 120.1° |
| CAB | CAJ | HAJ | 119.6° | 119.8° |
| CAE | CAC | CAJ | 120.9° | 120.5° |
| CAC | CAE | CAK | 118.2° | 119.8° |
| CAE | CAC | HAC | 119.5° | 119.8° |
| CAC | CAE | HAE | 120.9° | 120.1° |
| CAJ | CAC | HAC | 119.5° | 119.8° |
| CAC | CAJ | HAJ | 119.6° | 119.8° |
| CAD | CAK | CAE | 120.9° | 119.6° |
| CAD | CAK | NAL | 106.3° | 107.4° |
| CAE | CAK | NAL | 132.7° | 133.0° |
| CAK | CAE | HAE | 120.9° | 120.1° |
| NAH | CAF | NAI | 116.7° | 108.4° |
| CAF | NAH | CAG | 102.8° | 108.1° |
| NAH | CAF | HAF | 121.6° | 125.8° |
| CAF | NAH | HNAH | 128.6° | 125.9° |
| CAF | NAI | NAL | 102.2° | 108.1° |
| NAI | CAF | HAF | 121.6° | 125.8° |
| NAH | CAG | NAL | 109.8° | 107.7° |
| CAG | NAH | HNAH | 128.6° | 126.0° |
| CAG | NAL | NAI | 108.5° | 107.7° |
| CAG | NAL | CAK | 109.6° | 109.2° |
| NAI | NAL | CAK | 141.8° | 143.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAD | N1 | CAG | HN1 | 180.0° | 179.8° |
| N1 | CAD | CAB | CAK | 175.9° | 179.9° |
| N1 | CAD | CAB | CAJ | 175.3° | 179.9° |
| N1 | CAD | CAK | CAE | 177.4° | 179.9° |
| CAD | N1 | CAG | NAH | 179.1° | 180.0° |
| CAD | N1 | CAG | NAL | 1.1° | 0.0° |
| N1 | CAD | CAK | NAL | 0.3° | 0.0° |
| N1 | CAD | CAB | HAB | 4.7° | 0.1° |
| CAG | N1 | CAD | CAB | 175.4° | 179.9° |
| CAG | N1 | CAD | CAK | 0.9° | 0.0° |
| N1 | CAG | NAH | CAF | 179.2° | 180.0° |
| N1 | CAG | NAH | NAL | 179.8° | 180.0° |
| N1 | CAG | NAL | NAI | 179.3° | 180.0° |
| N1 | CAG | NAL | CAK | 0.9° | 0.0° |
| N1 | CAG | NAH | HNAH | 0.8° | 0.0° |
| CAD | CAB | CAJ | HAB | 180.0° | 180.0° |
| CAD | CAB | CAJ | CAC | 1.2° | 0.0° |
| CAB | CAD | CAK | CAE | 0.7° | 0.0° |
| CAB | CAD | CAK | NAL | 176.4° | 180.0° |
| CAB | CAD | N1 | HN1 | 4.6° | 0.1° |
| CAD | CAB | CAJ | HAJ | 178.8° | 180.0° |
| CAB | CAJ | CAC | CAE | 0.5° | 0.1° |
| CAB | CAJ | CAC | HAJ | 180.0° | 179.9° |
| CAJ | CAB | CAD | CAK | 0.6° | 0.0° |
| CAB | CAJ | CAC | HAC | 179.5° | 180.0° |
| CAE | CAC | CAJ | HAC | 180.0° | 179.9° |
| CAC | CAE | CAK | CAD | 1.3° | 0.0° |
| CAC | CAE | CAK | HAE | 180.0° | 179.9° |
| CAC | CAE | CAK | NAL | 174.9° | 180.0° |
| CAE | CAC | CAJ | HAJ | 179.4° | 180.0° |
| CAJ | CAC | CAE | CAK | 0.7° | 0.1° |
| CAC | CAJ | CAB | HAB | 178.8° | 180.0° |
| CAJ | CAC | CAE | HAE | 179.3° | 180.0° |
| CAD | CAK | CAE | NAL | 176.2° | 179.9° |
| CAD | CAK | NAL | CAG | 0.3° | 0.0° |
| CAD | CAK | NAL | NAI | 179.9° | 179.9° |
| CAK | CAD | N1 | HN1 | 179.1° | 179.8° |
| CAK | CAD | CAB | HAB | 179.4° | 180.0° |
| CAD | CAK | CAE | HAE | 178.7° | 179.9° |
| CAE | CAK | NAL | CAG | 176.3° | 179.9° |
| CAE | CAK | NAL | NAI | 3.5° | 0.0° |
| CAK | CAE | CAC | HAC | 179.3° | 180.0° |
| NAH | CAF | NAI | HAF | 180.0° | 179.9° |
| CAF | NAH | CAG | HNAH | 180.0° | 180.0° |
| CAF | NAH | CAG | NAL | 0.7° | 0.1° |
| NAH | CAF | NAI | NAL | 0.1° | 0.0° |
| NAI | CAF | NAH | CAG | 0.5° | 0.1° |
| CAF | NAI | NAL | CAG | 0.3° | 0.0° |
| CAF | NAI | NAL | CAK | 179.5° | 179.9° |
| NAI | CAF | NAH | HNAH | 179.5° | 180.0° |
| NAH | CAG | NAL | NAI | 0.7° | 0.1° |
| NAH | CAG | NAL | CAK | 179.2° | 180.0° |
| NAH | CAG | N1 | HN1 | 0.9° | 0.2° |
| CAG | NAH | CAF | HAF | 179.5° | 180.0° |
| CAG | NAL | NAI | CAK | 179.8° | 179.9° |
| NAL | CAG | N1 | HN1 | 178.9° | 179.8° |
| NAL | CAG | NAH | HNAH | 179.3° | 180.0° |
| NAL | NAI | CAF | HAF | 179.9° | 179.9° |
| NAL | CAK | CAE | HAE | 5.1° | 0.1° |
| HAB | CAB | CAJ | HAJ | 1.2° | 0.0° |
| HAC | CAC | CAE | HAE | 0.7° | 0.1° |
| HAC | CAC | CAJ | HAJ | 0.6° | 0.1° |
| HAF | CAF | NAH | HNAH | 0.5° | 0.1° |
