OF8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAP | CAQ | doub | 1.36Å | 1.37Å | Aromatic |
| CAP | CAO | sing | 1.40Å | 1.41Å | Aromatic |
| CAQ | NAR | sing | 1.36Å | 1.44Å | Aromatic |
| CAO | NAN | doub | 1.31Å | 1.37Å | Aromatic |
| OAA | CAB | doub | 1.22Å | 1.27Å | |
| NAR | CAM | sing | 1.37Å | 1.40Å | Aromatic |
| NAR | CAD | sing | 1.38Å | 1.41Å | Aromatic |
| NAN | CAM | sing | 1.34Å | 1.40Å | Aromatic |
| CAB | CAD | sing | 1.41Å | 1.38Å | |
| CAB | CAC | sing | 1.51Å | 1.50Å | |
| CAM | CAF | doub | 1.41Å | 1.37Å | Aromatic |
| CAD | CAE | doub | 1.39Å | 1.40Å | Aromatic |
| CAF | CAE | sing | 1.39Å | 1.38Å | Aromatic |
| CAF | CAG | sing | 1.48Å | 1.44Å | |
| CAG | NAL | doub | 1.33Å | 1.39Å | Aromatic |
| CAG | CAH | sing | 1.40Å | 1.37Å | Aromatic |
| NAL | CAK | sing | 1.32Å | 1.47Å | Aromatic |
| CAH | CAI | doub | 1.38Å | 1.44Å | Aromatic |
| CAK | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAJ | sing | 1.39Å | 1.38Å | Aromatic |
| CAC | H1 | sing | 1.09Å | 1.10Å | |
| CAC | H2 | sing | 1.09Å | 1.10Å | |
| CAC | H3 | sing | 1.09Å | 1.10Å | |
| CAE | H4 | sing | 1.08Å | 1.08Å | |
| CAQ | H5 | sing | 1.08Å | 1.08Å | |
| CAP | H6 | sing | 1.08Å | 1.08Å | |
| CAO | H7 | sing | 1.08Å | 1.08Å | |
| CAK | H8 | sing | 1.08Å | 1.08Å | |
| CAJ | H9 | sing | 1.08Å | 1.08Å | |
| CAI | H10 | sing | 1.08Å | 1.08Å | |
| CAH | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAQ | CAP | CAO | 118.6° | 119.3° |
| CAP | CAQ | NAR | 117.7° | 119.2° |
| CAP | CAQ | H5 | 121.2° | 120.4° |
| CAQ | CAP | H6 | 120.7° | 120.3° |
| CAP | CAO | NAN | 124.8° | 120.1° |
| CAO | CAP | H6 | 120.7° | 120.3° |
| CAP | CAO | H7 | 117.6° | 119.9° |
| CAQ | NAR | CAM | 122.1° | 119.8° |
| CAQ | NAR | CAD | 130.9° | 131.5° |
| NAR | CAQ | H5 | 121.2° | 120.4° |
| CAO | NAN | CAM | 117.4° | 121.0° |
| NAN | CAO | H7 | 117.6° | 120.0° |
| OAA | CAB | CAD | 123.8° | 120.0° |
| OAA | CAB | CAC | 118.5° | 120.0° |
| CAM | NAR | CAD | 107.0° | 108.6° |
| NAR | CAM | NAN | 119.4° | 120.6° |
| NAR | CAM | CAF | 110.0° | 108.0° |
| NAR | CAD | CAB | 124.1° | 125.8° |
| NAR | CAD | CAE | 105.8° | 108.4° |
| NAN | CAM | CAF | 130.6° | 131.4° |
| CAD | CAB | CAC | 117.6° | 120.0° |
| CAB | CAD | CAE | 130.1° | 125.8° |
| CAB | CAC | H1 | 109.5° | 109.5° |
| CAB | CAC | H2 | 109.5° | 109.5° |
| CAB | CAC | H3 | 109.5° | 109.4° |
| CAM | CAF | CAE | 106.5° | 107.4° |
| CAM | CAF | CAG | 123.9° | 126.3° |
| CAD | CAE | CAF | 110.6° | 107.6° |
| CAD | CAE | H4 | 124.7° | 126.2° |
| CAE | CAF | CAG | 129.5° | 126.3° |
| CAF | CAE | H4 | 124.7° | 126.2° |
| CAF | CAG | NAL | 121.8° | 119.7° |
| CAF | CAG | CAH | 119.0° | 119.7° |
| NAL | CAG | CAH | 119.2° | 120.5° |
| CAG | NAL | CAK | 121.3° | 121.6° |
| CAG | CAH | CAI | 121.4° | 119.1° |
| CAG | CAH | H11 | 119.3° | 120.5° |
| NAL | CAK | CAJ | 116.3° | 120.9° |
| NAL | CAK | H8 | 121.9° | 119.5° |
| CAH | CAI | CAJ | 118.2° | 118.6° |
| CAH | CAI | H10 | 120.9° | 120.7° |
| CAI | CAH | H11 | 119.3° | 120.5° |
| CAK | CAJ | CAI | 123.3° | 119.4° |
| CAJ | CAK | H8 | 121.8° | 119.6° |
| CAK | CAJ | H9 | 118.3° | 120.2° |
| CAI | CAJ | H9 | 118.4° | 120.3° |
| CAJ | CAI | H10 | 120.9° | 120.7° |
| H1 | CAC | H2 | 109.5° | 109.5° |
| H1 | CAC | H3 | 109.5° | 109.5° |
| H2 | CAC | H3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAQ | CAP | CAO | H6 | 180.0° | 180.0° |
| CAP | CAQ | NAR | H5 | 180.0° | 179.9° |
| CAQ | CAP | CAO | NAN | 2.2° | 0.0° |
| CAP | CAQ | NAR | CAM | 0.7° | 0.0° |
| CAP | CAQ | NAR | CAD | 178.2° | 179.8° |
| CAQ | CAP | CAO | H7 | 177.9° | 180.0° |
| CAO | CAP | CAQ | NAR | 1.2° | 0.0° |
| CAP | CAO | NAN | H7 | 180.0° | 179.9° |
| CAP | CAO | NAN | CAM | 2.3° | 0.0° |
| CAO | CAP | CAQ | H5 | 178.8° | 180.0° |
| CAQ | NAR | CAM | CAD | 179.1° | 179.8° |
| CAQ | NAR | CAM | NAN | 0.9° | 0.0° |
| CAQ | NAR | CAD | CAB | 0.3° | 0.3° |
| CAQ | NAR | CAM | CAF | 178.7° | 179.9° |
| CAQ | NAR | CAD | CAE | 179.3° | 180.0° |
| NAR | CAQ | CAP | H6 | 178.8° | 180.0° |
| CAO | NAN | CAM | NAR | 1.6° | 0.0° |
| CAO | NAN | CAM | CAF | 178.9° | 179.9° |
| NAN | CAO | CAP | H6 | 177.8° | 179.9° |
| OAA | CAB | CAD | NAR | 1.6° | 0.3° |
| OAA | CAB | CAD | CAC | 176.2° | 180.0° |
| OAA | CAB | CAD | CAE | 177.1° | 180.0° |
| OAA | CAB | CAC | H1 | 0.0° | 90.0° |
| OAA | CAB | CAC | H2 | 120.0° | 30.0° |
| OAA | CAB | CAC | H3 | 120.0° | 150.0° |
| NAR | CAM | NAN | CAF | 177.3° | 180.0° |
| CAM | NAR | CAD | CAB | 178.7° | 180.0° |
| CAM | NAR | CAD | CAE | 0.3° | 0.3° |
| NAR | CAM | CAF | CAE | 0.9° | 0.0° |
| NAR | CAM | CAF | CAG | 177.6° | 180.0° |
| CAM | NAR | CAQ | H5 | 179.3° | 180.0° |
| CAD | NAR | CAM | NAN | 178.2° | 179.8° |
| NAR | CAD | CAB | CAE | 178.7° | 179.7° |
| NAR | CAD | CAB | CAC | 174.6° | 179.7° |
| CAD | NAR | CAM | CAF | 0.4° | 0.2° |
| NAR | CAD | CAE | CAF | 0.9° | 0.3° |
| NAR | CAD | CAE | H4 | 179.2° | 179.8° |
| CAD | NAR | CAQ | H5 | 1.8° | 0.3° |
| NAN | CAM | CAF | CAE | 178.4° | 180.0° |
| NAN | CAM | CAF | CAG | 4.9° | 0.1° |
| CAM | NAN | CAO | H7 | 177.7° | 180.0° |
| CAB | CAD | CAE | CAF | 178.0° | 180.0° |
| CAD | CAB | CAC | H1 | 176.4° | 90.0° |
| CAD | CAB | CAC | H2 | 56.4° | 150.0° |
| CAD | CAB | CAC | H3 | 63.5° | 30.0° |
| CAB | CAD | CAE | H4 | 2.0° | 0.0° |
| CAC | CAB | CAD | CAE | 6.7° | 0.0° |
| CAB | CAC | H1 | H2 | 120.0° | 120.1° |
| CAB | CAC | H1 | H3 | 120.0° | 120.0° |
| CAB | CAC | H2 | H3 | 120.0° | 119.9° |
| CAM | CAF | CAE | CAD | 1.1° | 0.2° |
| CAM | CAF | CAE | CAG | 176.4° | 180.0° |
| CAM | CAF | CAG | NAL | 47.3° | 0.0° |
| CAM | CAF | CAG | CAH | 135.4° | 179.7° |
| CAM | CAF | CAE | H4 | 178.9° | 179.9° |
| CAD | CAE | CAF | H4 | 180.0° | 180.0° |
| CAD | CAE | CAF | CAG | 177.5° | 179.9° |
| CAE | CAF | CAG | NAL | 128.6° | 179.9° |
| CAE | CAF | CAG | CAH | 48.8° | 0.3° |
| CAF | CAG | NAL | CAH | 177.3° | 179.7° |
| CAF | CAG | NAL | CAK | 176.3° | 179.9° |
| CAF | CAG | CAH | CAI | 176.1° | 179.8° |
| CAG | CAF | CAE | H4 | 2.5° | 0.1° |
| CAF | CAG | CAH | H11 | 3.8° | 0.0° |
| NAL | CAG | CAH | CAI | 6.4° | 0.5° |
| CAG | NAL | CAK | CAJ | 3.7° | 0.1° |
| CAG | NAL | CAK | H8 | 176.3° | 180.0° |
| NAL | CAG | CAH | H11 | 173.6° | 179.8° |
| CAH | CAG | NAL | CAK | 6.4° | 0.2° |
| CAG | CAH | CAI | H11 | 180.0° | 179.7° |
| CAG | CAH | CAI | CAJ | 3.8° | 0.5° |
| CAG | CAH | CAI | H10 | 176.2° | 179.7° |
| NAL | CAK | CAJ | H8 | 180.0° | 179.9° |
| NAL | CAK | CAJ | CAI | 1.0° | 0.1° |
| NAL | CAK | CAJ | H9 | 179.0° | 179.9° |
| CAH | CAI | CAJ | CAK | 1.1° | 0.2° |
| CAH | CAI | CAJ | H10 | 180.0° | 179.8° |
| CAH | CAI | CAJ | H9 | 178.9° | 179.8° |
| CAK | CAJ | CAI | H9 | 180.0° | 180.0° |
| CAK | CAJ | CAI | H10 | 178.9° | 180.0° |
| CAI | CAJ | CAK | H8 | 179.0° | 180.0° |
| CAJ | CAI | CAH | H11 | 176.2° | 179.8° |
| H1 | CAC | H2 | H3 | 120.0° | 120.0° |
| H5 | CAQ | CAP | H6 | 1.3° | 0.0° |
| H6 | CAP | CAO | H7 | 2.2° | 0.0° |
| H8 | CAK | CAJ | H9 | 1.0° | 0.0° |
| H9 | CAJ | CAI | H10 | 1.1° | 0.0° |
| H10 | CAI | CAH | H11 | 3.8° | 0.0° |
