6F0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAE | CAG | doub | 1.38Å | 1.38Å | Aromatic |
| CAE | CAF | sing | 1.38Å | 1.38Å | Aromatic |
| CAG | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| FAD | CAJ | sing | 1.35Å | 1.34Å | |
| CAJ | CAK | doub | 1.40Å | 1.41Å | Aromatic |
| CAF | CAI | doub | 1.39Å | 1.38Å | Aromatic |
| CAI | CAK | sing | 1.40Å | 1.41Å | Aromatic |
| CAI | NAA | sing | 1.39Å | 1.32Å | |
| CAK | CAH | sing | 1.47Å | 1.41Å | |
| CAH | OAB | doub | 1.21Å | 1.26Å | |
| CAH | OAC | sing | 1.35Å | 1.26Å | |
| 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) |
| CAG | CAE | CAF | 119.0° | 120.5° |
| CAE | CAG | CAJ | 122.3° | 120.4° |
| CAE | CAG | H2 | 118.9° | 119.8° |
| CAG | CAE | H3 | 120.5° | 119.8° |
| CAE | CAF | CAI | 119.7° | 120.1° |
| CAF | CAE | H3 | 120.5° | 119.8° |
| CAE | CAF | H4 | 120.2° | 119.9° |
| CAG | CAJ | FAD | 117.3° | 120.1° |
| CAG | CAJ | CAK | 119.7° | 119.9° |
| CAJ | CAG | H2 | 118.8° | 119.8° |
| FAD | CAJ | CAK | 123.0° | 120.1° |
| CAJ | CAK | CAI | 116.8° | 119.5° |
| CAJ | CAK | CAH | 121.3° | 120.2° |
| CAF | CAI | CAK | 122.5° | 119.7° |
| CAF | CAI | NAA | 119.2° | 120.2° |
| CAI | CAF | H4 | 120.2° | 119.9° |
| CAK | CAI | NAA | 118.3° | 120.2° |
| CAI | CAK | CAH | 121.8° | 120.3° |
| CAI | NAA | H5 | 109.5° | 120.0° |
| CAI | NAA | H6 | 109.4° | 120.0° |
| CAK | CAH | OAB | 120.7° | 120.0° |
| CAK | CAH | OAC | 120.1° | 120.0° |
| OAB | CAH | OAC | 119.1° | 120.0° |
| CAH | OAC | H1 | 109.5° | 117.0° |
| H5 | NAA | H6 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAG | CAE | CAF | H3 | 180.0° | 180.0° |
| CAE | CAG | CAJ | H2 | 180.0° | 180.0° |
| CAE | CAG | CAJ | FAD | 179.7° | 180.0° |
| CAE | CAG | CAJ | CAK | 1.3° | 0.0° |
| CAG | CAE | CAF | CAI | 0.4° | 0.3° |
| CAG | CAE | CAF | H4 | 179.6° | 179.9° |
| CAF | CAE | CAG | CAJ | 0.7° | 0.0° |
| CAE | CAF | CAI | H4 | 180.0° | 179.8° |
| CAE | CAF | CAI | CAK | 0.9° | 0.5° |
| CAE | CAF | CAI | NAA | 179.5° | 179.9° |
| CAF | CAE | CAG | H2 | 179.3° | 180.0° |
| CAG | CAJ | FAD | CAK | 179.0° | 180.0° |
| CAG | CAJ | CAK | CAI | 0.8° | 0.3° |
| CAG | CAJ | CAK | CAH | 178.7° | 180.0° |
| CAJ | CAG | CAE | H3 | 179.3° | 180.0° |
| FAD | CAJ | CAK | CAI | 179.8° | 179.8° |
| FAD | CAJ | CAK | CAH | 0.3° | 0.1° |
| FAD | CAJ | CAG | H2 | 0.3° | 0.0° |
| CAJ | CAK | CAI | CAF | 0.3° | 0.5° |
| CAJ | CAK | CAI | CAH | 179.5° | 179.7° |
| CAJ | CAK | CAI | NAA | 179.9° | 179.9° |
| CAJ | CAK | CAH | OAB | 9.4° | 90.1° |
| CAJ | CAK | CAH | OAC | 168.8° | 90.3° |
| CAK | CAJ | CAG | H2 | 178.7° | 180.0° |
| CAF | CAI | CAK | NAA | 179.6° | 179.5° |
| CAF | CAI | CAK | CAH | 179.7° | 179.8° |
| CAI | CAF | CAE | H3 | 179.7° | 179.7° |
| CAF | CAI | NAA | H5 | 180.0° | 0.1° |
| CAF | CAI | NAA | H6 | 60.0° | 180.0° |
| CAI | CAK | CAH | OAB | 171.2° | 90.2° |
| CAI | CAK | CAH | OAC | 10.6° | 89.4° |
| CAK | CAI | CAF | H4 | 179.1° | 179.7° |
| CAK | CAI | NAA | H5 | 0.3° | 179.4° |
| CAK | CAI | NAA | H6 | 119.7° | 0.5° |
| NAA | CAI | CAK | CAH | 0.6° | 0.2° |
| NAA | CAI | CAF | H4 | 0.5° | 0.1° |
| CAI | NAA | H5 | H6 | 120.0° | 179.9° |
| CAK | CAH | OAB | OAC | 178.2° | 179.6° |
| CAK | CAH | OAC | H1 | 178.2° | 179.7° |
| OAB | CAH | OAC | H1 | 0.0° | 0.0° |
| H2 | CAG | CAE | H3 | 0.7° | 0.0° |
| H3 | CAE | CAF | H4 | 0.3° | 0.1° |
