F31
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | CAI | sing | 1.51Å | 1.53Å | |
| CAF | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAK | sing | 1.40Å | 1.40Å | Aromatic |
| CAE | CAJ | sing | 1.39Å | 1.38Å | Aromatic |
| CAI | CAK | sing | 1.47Å | 1.40Å | |
| CAI | OAD | doub | 1.21Å | 1.23Å | |
| CAK | CAG | doub | 1.40Å | 1.39Å | Aromatic |
| CAJ | NAC | sing | 1.39Å | 1.34Å | |
| CAJ | CAL | doub | 1.40Å | 1.40Å | Aromatic |
| CAG | CAL | sing | 1.38Å | 1.40Å | Aromatic |
| CAL | OAH | sing | 1.36Å | 1.36Å | |
| OAH | CAA | sing | 1.43Å | 1.42Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAE | H7 | sing | 1.08Å | 1.08Å | |
| CAF | H8 | sing | 1.08Å | 1.08Å | |
| CAG | H9 | sing | 1.08Å | 1.08Å | |
| NAC | H10 | sing | 0.97Å | 1.00Å | |
| NAC | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAI | CAK | 115.8° | 120.0° |
| CAB | CAI | OAD | 121.5° | 120.0° |
| CAI | CAB | H4 | 109.5° | 109.5° |
| CAI | CAB | H5 | 109.5° | 109.5° |
| CAI | CAB | H6 | 109.4° | 109.5° |
| CAE | CAF | CAK | 121.7° | 120.0° |
| CAF | CAE | CAJ | 118.5° | 120.1° |
| CAF | CAE | H7 | 120.8° | 120.0° |
| CAE | CAF | H8 | 119.2° | 120.0° |
| CAF | CAK | CAI | 117.7° | 120.1° |
| CAF | CAK | CAG | 120.0° | 119.9° |
| CAK | CAF | H8 | 119.2° | 120.0° |
| CAE | CAJ | NAC | 120.9° | 119.9° |
| CAE | CAJ | CAL | 120.3° | 120.2° |
| CAJ | CAE | H7 | 120.7° | 119.9° |
| CAK | CAI | OAD | 122.7° | 120.0° |
| CAI | CAK | CAG | 122.3° | 120.1° |
| CAK | CAG | CAL | 118.3° | 119.9° |
| CAK | CAG | H9 | 120.9° | 120.1° |
| NAC | CAJ | CAL | 118.8° | 119.9° |
| CAJ | NAC | H10 | 109.5° | 120.0° |
| CAJ | NAC | H11 | 109.4° | 120.0° |
| CAJ | CAL | CAG | 121.3° | 120.0° |
| CAJ | CAL | OAH | 117.6° | 120.0° |
| CAG | CAL | OAH | 121.1° | 120.0° |
| CAL | CAG | H9 | 120.9° | 120.1° |
| CAL | OAH | CAA | 114.7° | 117.0° |
| OAH | CAA | H1 | 109.5° | 109.5° |
| OAH | CAA | H2 | 109.5° | 109.5° |
| OAH | CAA | H3 | 109.5° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.4° | 109.4° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAB | H5 | 109.5° | 109.4° |
| H4 | CAB | H6 | 109.5° | 109.5° |
| H5 | CAB | H6 | 109.5° | 109.4° |
| H10 | NAC | H11 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAI | CAK | CAF | 3.6° | 174.5° |
| CAB | CAI | CAK | OAD | 179.4° | 180.0° |
| CAB | CAI | CAK | CAG | 176.2° | 5.4° |
| CAI | CAB | H4 | H5 | 120.0° | 120.0° |
| CAI | CAB | H4 | H6 | 120.0° | 120.0° |
| CAI | CAB | H5 | H6 | 120.0° | 120.0° |
| CAE | CAF | CAK | H8 | 180.0° | 180.0° |
| CAF | CAE | CAJ | H7 | 180.0° | 179.7° |
| CAE | CAF | CAK | CAI | 180.0° | 179.9° |
| CAE | CAF | CAK | CAG | 0.2° | 0.0° |
| CAF | CAE | CAJ | NAC | 179.9° | 179.7° |
| CAF | CAE | CAJ | CAL | 0.6° | 0.2° |
| CAK | CAF | CAE | CAJ | 0.4° | 0.0° |
| CAF | CAK | CAI | CAG | 179.8° | 179.9° |
| CAF | CAK | CAI | OAD | 177.1° | 5.5° |
| CAF | CAK | CAG | CAL | 0.2° | 0.2° |
| CAK | CAF | CAE | H7 | 179.6° | 179.7° |
| CAF | CAK | CAG | H9 | 179.9° | 179.7° |
| CAE | CAJ | NAC | CAL | 179.5° | 179.9° |
| CAE | CAJ | CAL | CAG | 0.6° | 0.4° |
| CAE | CAJ | CAL | OAH | 179.0° | 180.0° |
| CAJ | CAE | CAF | H8 | 179.6° | 180.0° |
| CAE | CAJ | NAC | H10 | 180.0° | 0.0° |
| CAE | CAJ | NAC | H11 | 60.0° | 180.0° |
| CAI | CAK | CAG | CAL | 179.9° | 179.7° |
| CAK | CAI | CAB | H4 | 179.4° | 5.1° |
| CAK | CAI | CAB | H5 | 59.4° | 114.9° |
| CAK | CAI | CAB | H6 | 60.6° | 125.1° |
| CAI | CAK | CAF | H8 | 0.1° | 0.1° |
| CAI | CAK | CAG | H9 | 0.1° | 0.2° |
| OAD | CAI | CAK | CAG | 3.2° | 174.6° |
| OAD | CAI | CAB | H4 | 0.0° | 174.9° |
| OAD | CAI | CAB | H5 | 120.0° | 65.1° |
| OAD | CAI | CAB | H6 | 120.0° | 54.9° |
| CAK | CAG | CAL | CAJ | 0.4° | 0.4° |
| CAK | CAG | CAL | H9 | 180.0° | 179.5° |
| CAK | CAG | CAL | OAH | 178.7° | 180.0° |
| CAG | CAK | CAF | H8 | 179.8° | 180.0° |
| NAC | CAJ | CAL | CAG | 179.8° | 179.5° |
| NAC | CAJ | CAL | OAH | 1.5° | 0.1° |
| NAC | CAJ | CAE | H7 | 0.2° | 0.0° |
| CAJ | NAC | H10 | H11 | 120.0° | 180.0° |
| CAJ | CAL | CAG | OAH | 178.3° | 179.6° |
| CAJ | CAL | OAH | CAA | 81.3° | 179.5° |
| CAL | CAJ | CAE | H7 | 179.4° | 179.9° |
| CAJ | CAL | CAG | H9 | 179.6° | 179.9° |
| CAL | CAJ | NAC | H10 | 0.5° | 180.0° |
| CAL | CAJ | NAC | H11 | 119.5° | 0.0° |
| CAG | CAL | OAH | CAA | 100.4° | 0.0° |
| CAL | OAH | CAA | H1 | 180.0° | 180.0° |
| CAL | OAH | CAA | H2 | 60.0° | 60.0° |
| CAL | OAH | CAA | H3 | 60.0° | 60.0° |
| OAH | CAL | CAG | H9 | 1.4° | 0.5° |
| OAH | CAA | H1 | H2 | 120.0° | 120.0° |
| OAH | CAA | H1 | H3 | 120.0° | 120.0° |
| OAH | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | H2 | H3 | 120.0° | 119.9° |
| H4 | CAB | H5 | H6 | 120.0° | 120.0° |
| H7 | CAE | CAF | H8 | 0.4° | 0.3° |
