3F0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FAD | CAJ | sing | 1.35Å | 1.48Å | |
| CAF | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAE | sing | 1.39Å | 1.40Å | Aromatic |
| CAJ | CAI | sing | 1.39Å | 1.38Å | Aromatic |
| CAE | CAG | doub | 1.38Å | 1.41Å | Aromatic |
| CAI | NAA | sing | 1.39Å | 1.34Å | |
| CAI | CAK | doub | 1.40Å | 1.41Å | Aromatic |
| CAG | CAK | sing | 1.40Å | 1.40Å | Aromatic |
| CAK | CAH | sing | 1.47Å | 1.39Å | |
| CAH | OAB | doub | 1.22Å | 1.25Å | |
| CAH | OAC | sing | 1.35Å | 1.25Å | |
| OAC | H1 | sing | 0.97Å | 0.95Å | |
| CAG | H2 | sing | 1.08Å | 1.08Å | |
| CAE | H3 | sing | 1.08Å | 1.08Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| NAA | H5 | sing | 0.97Å | 1.00Å | |
| NAA | H6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FAD | CAJ | CAF | 124.0° | 120.0° |
| FAD | CAJ | CAI | 117.9° | 120.0° |
| CAJ | CAF | CAE | 121.0° | 120.5° |
| CAF | CAJ | CAI | 118.1° | 120.0° |
| CAJ | CAF | H4 | 119.5° | 119.8° |
| CAF | CAE | CAG | 120.3° | 120.4° |
| CAF | CAE | H3 | 119.9° | 119.8° |
| CAE | CAF | H4 | 119.5° | 119.8° |
| CAJ | CAI | NAA | 115.7° | 120.2° |
| CAJ | CAI | CAK | 122.6° | 119.7° |
| CAE | CAG | CAK | 119.1° | 120.0° |
| CAE | CAG | H2 | 120.5° | 120.0° |
| CAG | CAE | H3 | 119.8° | 119.8° |
| NAA | CAI | CAK | 121.6° | 120.2° |
| CAI | NAA | H5 | 109.5° | 120.0° |
| CAI | NAA | H6 | 109.5° | 119.9° |
| CAI | CAK | CAG | 118.9° | 119.6° |
| CAI | CAK | CAH | 120.2° | 120.2° |
| CAG | CAK | CAH | 120.9° | 120.2° |
| CAK | CAG | H2 | 120.5° | 120.0° |
| CAK | CAH | OAB | 119.2° | 120.0° |
| CAK | CAH | OAC | 121.1° | 120.0° |
| OAB | CAH | OAC | 119.7° | 120.0° |
| CAH | OAC | H1 | 109.5° | 117.0° |
| H5 | NAA | H6 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FAD | CAJ | CAF | CAI | 177.7° | 179.7° |
| FAD | CAJ | CAF | CAE | 179.1° | 180.0° |
| FAD | CAJ | CAI | NAA | 1.2° | 0.2° |
| FAD | CAJ | CAI | CAK | 179.3° | 179.8° |
| FAD | CAJ | CAF | H4 | 1.0° | 0.2° |
| CAJ | CAF | CAE | H4 | 180.0° | 179.8° |
| CAJ | CAF | CAE | CAG | 0.6° | 0.0° |
| CAF | CAJ | CAI | NAA | 179.0° | 180.0° |
| CAF | CAJ | CAI | CAK | 1.4° | 0.5° |
| CAJ | CAF | CAE | H3 | 179.4° | 180.0° |
| CAE | CAF | CAJ | CAI | 1.4° | 0.2° |
| CAF | CAE | CAG | H3 | 180.0° | 180.0° |
| CAF | CAE | CAG | CAK | 0.1° | 0.0° |
| CAF | CAE | CAG | H2 | 179.9° | 180.0° |
| CAJ | CAI | NAA | CAK | 179.6° | 179.5° |
| CAJ | CAI | CAK | CAG | 0.7° | 0.5° |
| CAJ | CAI | CAK | CAH | 179.2° | 179.8° |
| CAI | CAJ | CAF | H4 | 178.7° | 180.0° |
| CAJ | CAI | NAA | H5 | 180.0° | 5.4° |
| CAJ | CAI | NAA | H6 | 60.0° | 174.5° |
| CAE | CAG | CAK | CAI | 0.1° | 0.2° |
| CAE | CAG | CAK | H2 | 180.0° | 180.0° |
| CAE | CAG | CAK | CAH | 180.0° | 180.0° |
| CAG | CAE | CAF | H4 | 179.4° | 179.8° |
| NAA | CAI | CAK | CAG | 179.8° | 180.0° |
| NAA | CAI | CAK | CAH | 0.3° | 0.2° |
| CAI | NAA | H5 | H6 | 120.0° | 179.9° |
| CAI | CAK | CAG | CAH | 179.9° | 179.7° |
| CAI | CAK | CAH | OAB | 17.7° | 6.2° |
| CAI | CAK | CAH | OAC | 161.2° | 173.6° |
| CAI | CAK | CAG | H2 | 180.0° | 179.8° |
| CAK | CAI | NAA | H5 | 0.5° | 175.1° |
| CAK | CAI | NAA | H6 | 120.4° | 5.0° |
| CAG | CAK | CAH | OAB | 162.2° | 174.1° |
| CAG | CAK | CAH | OAC | 18.9° | 6.1° |
| CAK | CAG | CAE | H3 | 179.9° | 180.0° |
| CAK | CAH | OAB | OAC | 178.9° | 179.8° |
| CAK | CAH | OAC | H1 | 178.9° | 179.7° |
| CAH | CAK | CAG | H2 | 0.0° | 0.0° |
| OAB | CAH | OAC | H1 | 0.0° | 0.1° |
| H2 | CAG | CAE | H3 | 0.1° | 0.0° |
| H3 | CAE | CAF | H4 | 0.6° | 0.2° |
