OF5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAP | OAO | sing | 1.43Å | 1.42Å | |
| OAO | CAN | sing | 1.36Å | 1.37Å | |
| CAM | CAN | doub | 1.38Å | 1.46Å | Aromatic |
| CAM | CAL | sing | 1.38Å | 1.37Å | Aromatic |
| CAN | CAG | sing | 1.40Å | 1.43Å | Aromatic |
| OAA | CAB | doub | 1.22Å | 1.26Å | |
| CAT | CAU | doub | 1.36Å | 1.39Å | Aromatic |
| CAT | CAS | sing | 1.40Å | 1.42Å | Aromatic |
| CAU | NAV | sing | 1.36Å | 1.43Å | Aromatic |
| CAB | CAC | sing | 1.51Å | 1.49Å | |
| CAB | CAD | sing | 1.40Å | 1.41Å | |
| NAV | CAQ | sing | 1.37Å | 1.37Å | Aromatic |
| NAV | CAD | sing | 1.38Å | 1.36Å | Aromatic |
| NAR | CAQ | sing | 1.34Å | 1.38Å | Aromatic |
| NAR | CAS | doub | 1.31Å | 1.42Å | Aromatic |
| CAQ | CAF | doub | 1.41Å | 1.33Å | Aromatic |
| CAD | CAE | doub | 1.39Å | 1.39Å | Aromatic |
| CAE | CAF | sing | 1.39Å | 1.35Å | Aromatic |
| CAG | CAF | sing | 1.48Å | 1.44Å | |
| CAG | CAH | doub | 1.39Å | 1.40Å | Aromatic |
| CAL | CAI | doub | 1.39Å | 1.38Å | Aromatic |
| CAH | CAI | sing | 1.38Å | 1.42Å | Aromatic |
| CAI | OAJ | sing | 1.36Å | 1.37Å | |
| OAJ | CAK | sing | 1.43Å | 1.47Å | |
| 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 | |
| CAU | H5 | sing | 1.08Å | 1.08Å | |
| CAT | H6 | sing | 1.08Å | 1.08Å | |
| CAS | H7 | sing | 1.08Å | 1.08Å | |
| CAH | H8 | sing | 1.08Å | 1.08Å | |
| CAK | H9 | sing | 1.09Å | 1.10Å | |
| CAK | H10 | sing | 1.09Å | 1.10Å | |
| CAK | H11 | sing | 1.09Å | 1.10Å | |
| CAL | H12 | sing | 1.08Å | 1.08Å | |
| CAM | H13 | sing | 1.08Å | 1.08Å | |
| CAP | H14 | sing | 1.09Å | 1.10Å | |
| CAP | H15 | sing | 1.09Å | 1.10Å | |
| CAP | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAP | OAO | CAN | 118.6° | 117.0° |
| OAO | CAP | H14 | 109.5° | 109.5° |
| OAO | CAP | H15 | 109.5° | 109.5° |
| OAO | CAP | H16 | 109.5° | 109.5° |
| OAO | CAN | CAM | 121.5° | 120.1° |
| OAO | CAN | CAG | 116.7° | 120.1° |
| CAN | CAM | CAL | 119.3° | 120.1° |
| CAM | CAN | CAG | 121.0° | 119.9° |
| CAN | CAM | H13 | 120.4° | 120.0° |
| CAM | CAL | CAI | 120.9° | 120.3° |
| CAM | CAL | H12 | 119.6° | 119.9° |
| CAL | CAM | H13 | 120.4° | 119.9° |
| CAN | CAG | CAF | 121.3° | 120.1° |
| CAN | CAG | CAH | 115.7° | 119.7° |
| OAA | CAB | CAC | 115.5° | 120.0° |
| OAA | CAB | CAD | 124.9° | 120.0° |
| CAU | CAT | CAS | 120.8° | 119.3° |
| CAT | CAU | NAV | 116.8° | 119.2° |
| CAT | CAU | H5 | 121.6° | 120.4° |
| CAU | CAT | H6 | 119.6° | 120.3° |
| CAT | CAS | NAR | 119.9° | 120.2° |
| CAS | CAT | H6 | 119.6° | 120.4° |
| CAT | CAS | H7 | 120.0° | 119.9° |
| CAU | NAV | CAQ | 122.9° | 119.8° |
| CAU | NAV | CAD | 127.9° | 131.6° |
| NAV | CAU | H5 | 121.6° | 120.4° |
| CAC | CAB | CAD | 119.3° | 120.0° |
| CAB | CAC | H1 | 109.5° | 109.5° |
| CAB | CAC | H2 | 109.4° | 109.5° |
| CAB | CAC | H3 | 109.5° | 109.4° |
| CAB | CAD | NAV | 126.9° | 125.8° |
| CAB | CAD | CAE | 128.5° | 125.8° |
| CAQ | NAV | CAD | 109.2° | 108.6° |
| NAV | CAQ | NAR | 119.8° | 120.6° |
| NAV | CAQ | CAF | 109.0° | 108.0° |
| NAV | CAD | CAE | 104.5° | 108.3° |
| CAQ | NAR | CAS | 119.5° | 121.0° |
| NAR | CAQ | CAF | 131.2° | 131.5° |
| NAR | CAS | H7 | 120.1° | 119.9° |
| CAQ | CAF | CAE | 106.6° | 107.5° |
| CAQ | CAF | CAG | 126.6° | 126.3° |
| CAD | CAE | CAF | 110.6° | 107.6° |
| CAD | CAE | H4 | 124.7° | 126.2° |
| CAE | CAF | CAG | 126.7° | 126.2° |
| CAF | CAE | H4 | 124.7° | 126.2° |
| CAF | CAG | CAH | 122.9° | 120.2° |
| CAG | CAH | CAI | 123.0° | 119.9° |
| CAG | CAH | H8 | 118.5° | 120.0° |
| CAL | CAI | CAH | 119.7° | 120.1° |
| CAL | CAI | OAJ | 117.2° | 119.9° |
| CAI | CAL | H12 | 119.6° | 119.9° |
| CAH | CAI | OAJ | 123.0° | 119.9° |
| CAI | CAH | H8 | 118.5° | 120.1° |
| CAI | OAJ | CAK | 118.7° | 117.0° |
| OAJ | CAK | H9 | 109.5° | 109.5° |
| OAJ | CAK | H10 | 109.5° | 109.5° |
| OAJ | CAK | H11 | 109.5° | 109.5° |
| H1 | CAC | H2 | 109.5° | 109.5° |
| H1 | CAC | H3 | 109.5° | 109.5° |
| H2 | CAC | H3 | 109.5° | 109.4° |
| H9 | CAK | H10 | 109.5° | 109.4° |
| H9 | CAK | H11 | 109.5° | 109.4° |
| H10 | CAK | H11 | 109.5° | 109.5° |
| H14 | CAP | H15 | 109.5° | 109.5° |
| H14 | CAP | H16 | 109.5° | 109.5° |
| H15 | CAP | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAP | OAO | CAN | CAM | 24.2° | 0.0° |
| CAP | OAO | CAN | CAG | 165.4° | 179.5° |
| OAO | CAP | H14 | H15 | 120.0° | 120.0° |
| OAO | CAP | H14 | H16 | 120.0° | 120.0° |
| OAO | CAP | H15 | H16 | 120.0° | 120.0° |
| OAO | CAN | CAM | CAG | 170.0° | 179.4° |
| OAO | CAN | CAM | CAL | 176.1° | 180.0° |
| OAO | CAN | CAG | CAF | 8.3° | 0.4° |
| OAO | CAN | CAG | CAH | 173.8° | 179.9° |
| OAO | CAN | CAM | H13 | 3.9° | 0.5° |
| CAN | OAO | CAP | H14 | 180.0° | 60.0° |
| CAN | OAO | CAP | H15 | 60.0° | 60.0° |
| CAN | OAO | CAP | H16 | 60.0° | 180.0° |
| CAN | CAM | CAL | H13 | 180.0° | 179.5° |
| CAM | CAN | CAG | CAF | 178.8° | 179.8° |
| CAM | CAN | CAG | CAH | 3.3° | 0.6° |
| CAN | CAM | CAL | CAI | 2.9° | 0.3° |
| CAN | CAM | CAL | H12 | 177.1° | 179.8° |
| CAL | CAM | CAN | CAG | 6.0° | 0.6° |
| CAM | CAL | CAI | H12 | 180.0° | 179.9° |
| CAM | CAL | CAI | CAH | 2.6° | 0.1° |
| CAM | CAL | CAI | OAJ | 178.5° | 179.9° |
| CAN | CAG | CAF | CAQ | 132.7° | 64.8° |
| CAN | CAG | CAF | CAE | 43.0° | 115.3° |
| CAN | CAG | CAF | CAH | 177.8° | 179.6° |
| CAN | CAG | CAH | CAI | 2.3° | 0.4° |
| CAN | CAG | CAH | H8 | 177.7° | 179.7° |
| CAG | CAN | CAM | H13 | 173.9° | 180.0° |
| OAA | CAB | CAC | CAD | 173.8° | 179.9° |
| OAA | CAB | CAD | NAV | 5.7° | 0.4° |
| OAA | CAB | CAD | CAE | 169.5° | 180.0° |
| OAA | CAB | CAC | H1 | 0.0° | 180.0° |
| OAA | CAB | CAC | H2 | 120.0° | 59.9° |
| OAA | CAB | CAC | H3 | 120.0° | 60.0° |
| CAU | CAT | CAS | H6 | 180.0° | 179.9° |
| CAT | CAU | NAV | H5 | 180.0° | 180.0° |
| CAT | CAU | NAV | CAQ | 1.0° | 0.0° |
| CAT | CAU | NAV | CAD | 179.0° | 179.7° |
| CAU | CAT | CAS | NAR | 7.1° | 0.0° |
| CAU | CAT | CAS | H7 | 172.9° | 180.0° |
| CAS | CAT | CAU | NAV | 3.6° | 0.0° |
| CAT | CAS | NAR | CAQ | 5.9° | 0.0° |
| CAT | CAS | NAR | H7 | 180.0° | 180.0° |
| CAS | CAT | CAU | H5 | 176.4° | 180.0° |
| CAU | NAV | CAD | CAB | 1.5° | 0.3° |
| CAU | NAV | CAQ | CAD | 178.4° | 179.8° |
| CAU | NAV | CAQ | NAR | 2.1° | 0.0° |
| CAU | NAV | CAQ | CAF | 179.3° | 180.0° |
| CAU | NAV | CAD | CAE | 177.6° | 180.0° |
| NAV | CAU | CAT | H6 | 176.4° | 179.9° |
| CAC | CAB | CAD | NAV | 178.9° | 179.7° |
| CAC | CAB | CAD | CAE | 3.7° | 0.1° |
| CAB | CAC | H1 | H2 | 120.0° | 120.1° |
| CAB | CAC | H1 | H3 | 120.0° | 120.0° |
| CAB | CAC | H2 | H3 | 120.0° | 119.9° |
| CAB | CAD | NAV | CAQ | 176.8° | 179.9° |
| CAB | CAD | NAV | CAE | 176.2° | 179.7° |
| CAB | CAD | CAE | CAF | 178.1° | 179.9° |
| CAD | CAB | CAC | H1 | 173.9° | 0.1° |
| CAD | CAB | CAC | H2 | 66.2° | 120.0° |
| CAD | CAB | CAC | H3 | 53.8° | 120.1° |
| CAB | CAD | CAE | H4 | 1.9° | 0.0° |
| NAV | CAQ | NAR | CAF | 178.3° | 179.9° |
| NAV | CAQ | NAR | CAS | 1.4° | 0.0° |
| CAQ | NAV | CAD | CAE | 0.7° | 0.3° |
| NAV | CAQ | CAF | CAE | 2.1° | 0.0° |
| NAV | CAQ | CAF | CAG | 178.5° | 179.9° |
| CAQ | NAV | CAU | H5 | 179.0° | 180.0° |
| CAD | NAV | CAQ | NAR | 179.5° | 179.8° |
| CAD | NAV | CAQ | CAF | 0.9° | 0.2° |
| NAV | CAD | CAE | CAF | 2.0° | 0.3° |
| NAV | CAD | CAE | H4 | 178.0° | 179.7° |
| CAD | NAV | CAU | H5 | 1.0° | 0.3° |
| NAR | CAQ | CAF | CAE | 179.5° | 179.9° |
| NAR | CAQ | CAF | CAG | 3.1° | 0.2° |
| CAQ | NAR | CAS | H7 | 174.2° | 180.0° |
| CAS | NAR | CAQ | CAF | 176.9° | 179.9° |
| NAR | CAS | CAT | H6 | 172.9° | 179.9° |
| CAQ | CAF | CAE | CAD | 2.6° | 0.2° |
| CAQ | CAF | CAE | CAG | 176.4° | 179.9° |
| CAQ | CAF | CAG | CAH | 49.5° | 114.8° |
| CAQ | CAF | CAE | H4 | 177.4° | 179.8° |
| CAD | CAE | CAF | H4 | 180.0° | 180.0° |
| CAD | CAE | CAF | CAG | 179.0° | 179.9° |
| CAE | CAF | CAG | CAH | 134.8° | 65.1° |
| CAF | CAG | CAH | CAI | 175.6° | 180.0° |
| CAG | CAF | CAE | H4 | 1.0° | 0.1° |
| CAF | CAG | CAH | H8 | 4.4° | 0.1° |
| CAG | CAH | CAI | CAL | 5.4° | 0.1° |
| CAG | CAH | CAI | H8 | 180.0° | 179.9° |
| CAG | CAH | CAI | OAJ | 178.9° | 180.0° |
| CAL | CAI | CAH | OAJ | 175.7° | 179.9° |
| CAL | CAI | OAJ | CAK | 172.5° | 0.1° |
| CAL | CAI | CAH | H8 | 174.6° | 180.0° |
| CAI | CAL | CAM | H13 | 177.0° | 179.8° |
| CAH | CAI | OAJ | CAK | 11.7° | 180.0° |
| CAH | CAI | CAL | H12 | 177.4° | 180.0° |
| OAJ | CAI | CAH | H8 | 1.1° | 0.1° |
| CAI | OAJ | CAK | H9 | 180.0° | 60.1° |
| CAI | OAJ | CAK | H10 | 60.0° | 59.9° |
| CAI | OAJ | CAK | H11 | 60.0° | 180.0° |
| OAJ | CAI | CAL | H12 | 1.5° | 0.1° |
| OAJ | CAK | H9 | H10 | 120.0° | 120.1° |
| OAJ | CAK | H9 | H11 | 120.0° | 120.0° |
| OAJ | CAK | H10 | H11 | 120.0° | 120.1° |
| H1 | CAC | H2 | H3 | 120.0° | 120.0° |
| H5 | CAU | CAT | H6 | 3.6° | 0.1° |
| H6 | CAT | CAS | H7 | 7.0° | 0.0° |
| H9 | CAK | H10 | H11 | 120.0° | 119.9° |
| H12 | CAL | CAM | H13 | 3.0° | 0.3° |
| H14 | CAP | H15 | H16 | 120.0° | 120.0° |
