18F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAF | CAG | doub | 1.37Å | 1.41Å | Aromatic |
| CAF | CAC | sing | 1.40Å | 1.40Å | Aromatic |
| CAG | CAH | sing | 1.39Å | 1.42Å | Aromatic |
| NAB | CAC | sing | 1.35Å | 1.39Å | Aromatic |
| NAB | CAA | doub | 1.31Å | 1.34Å | Aromatic |
| CAC | CAD | doub | 1.41Å | 1.39Å | Aromatic |
| CAK | CAL | doub | 1.38Å | 1.41Å | Aromatic |
| CAK | CAJ | sing | 1.40Å | 1.40Å | Aromatic |
| CAL | CAM | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | CAI | doub | 1.38Å | 1.41Å | Aromatic |
| CAA | CAJ | sing | 1.48Å | 1.40Å | |
| CAA | NAE | sing | 1.37Å | 1.37Å | Aromatic |
| CAJ | CAO | doub | 1.40Å | 1.39Å | Aromatic |
| CAD | CAI | sing | 1.39Å | 1.41Å | Aromatic |
| CAD | NAE | sing | 1.38Å | 1.35Å | Aromatic |
| CAM | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| NAE | CAP | sing | 1.46Å | 1.50Å | |
| CAO | CAN | sing | 1.38Å | 1.40Å | Aromatic |
| CAP | CAQ | sing | 1.51Å | 1.56Å | |
| CAV | CAU | doub | 1.38Å | 1.41Å | Aromatic |
| CAV | CAQ | sing | 1.38Å | 1.40Å | Aromatic |
| CAU | CAT | sing | 1.38Å | 1.40Å | Aromatic |
| CAQ | CAR | doub | 1.38Å | 1.39Å | Aromatic |
| CAT | CAS | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | CAS | sing | 1.38Å | 1.40Å | Aromatic |
| CAR | H1 | sing | 1.08Å | 1.08Å | |
| CAS | H2 | sing | 1.08Å | 1.08Å | |
| CAT | H3 | sing | 1.08Å | 1.08Å | |
| CAU | H4 | sing | 1.08Å | 1.08Å | |
| CAV | H5 | sing | 1.08Å | 1.08Å | |
| CAP | H6 | sing | 1.09Å | 1.10Å | |
| CAP | H7 | sing | 1.09Å | 1.10Å | |
| CAI | H8 | sing | 1.08Å | 1.08Å | |
| CAH | H9 | sing | 1.08Å | 1.08Å | |
| CAG | H10 | sing | 1.08Å | 1.08Å | |
| CAF | H11 | sing | 1.08Å | 1.08Å | |
| CAK | H12 | sing | 1.08Å | 1.08Å | |
| CAL | H13 | sing | 1.08Å | 1.08Å | |
| CAM | H14 | sing | 1.08Å | 1.08Å | |
| CAN | H15 | sing | 1.08Å | 1.08Å | |
| CAO | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAG | CAF | CAC | 119.2° | 119.9° |
| CAF | CAG | CAH | 121.5° | 120.7° |
| CAF | CAG | H10 | 119.2° | 119.6° |
| CAG | CAF | H11 | 120.4° | 120.0° |
| CAF | CAC | NAB | 131.8° | 133.4° |
| CAF | CAC | CAD | 119.6° | 119.4° |
| CAC | CAF | H11 | 120.4° | 120.1° |
| CAG | CAH | CAI | 118.6° | 120.4° |
| CAG | CAH | H9 | 120.7° | 119.8° |
| CAH | CAG | H10 | 119.2° | 119.7° |
| CAC | NAB | CAA | 107.3° | 109.7° |
| NAB | CAC | CAD | 108.5° | 107.2° |
| NAB | CAA | CAJ | 125.1° | 125.1° |
| NAB | CAA | NAE | 108.6° | 109.7° |
| CAC | CAD | CAI | 122.0° | 119.8° |
| CAC | CAD | NAE | 105.6° | 106.2° |
| CAL | CAK | CAJ | 121.0° | 119.9° |
| CAK | CAL | CAM | 116.6° | 120.1° |
| CAL | CAK | H12 | 119.6° | 120.0° |
| CAK | CAL | H13 | 121.7° | 119.9° |
| CAK | CAJ | CAA | 116.0° | 120.1° |
| CAK | CAJ | CAO | 121.0° | 119.8° |
| CAJ | CAK | H12 | 119.5° | 120.1° |
| CAL | CAM | CAN | 122.6° | 120.3° |
| CAM | CAL | H13 | 121.7° | 120.0° |
| CAL | CAM | H14 | 118.7° | 119.9° |
| CAH | CAI | CAD | 119.0° | 119.7° |
| CAH | CAI | H8 | 120.5° | 120.1° |
| CAI | CAH | H9 | 120.7° | 119.8° |
| CAJ | CAA | NAE | 125.9° | 125.1° |
| CAA | CAJ | CAO | 122.8° | 120.1° |
| CAA | NAE | CAD | 110.0° | 107.2° |
| CAA | NAE | CAP | 127.0° | 126.4° |
| CAJ | CAO | CAN | 118.4° | 119.8° |
| CAJ | CAO | H16 | 120.8° | 120.1° |
| CAI | CAD | NAE | 132.4° | 134.0° |
| CAD | CAI | H8 | 120.5° | 120.2° |
| CAD | NAE | CAP | 123.0° | 126.4° |
| CAM | CAN | CAO | 120.3° | 120.1° |
| CAN | CAM | H14 | 118.7° | 119.8° |
| CAM | CAN | H15 | 119.8° | 119.9° |
| NAE | CAP | CAQ | 112.4° | 109.5° |
| NAE | CAP | H6 | 108.7° | 109.5° |
| NAE | CAP | H7 | 108.7° | 109.5° |
| CAO | CAN | H15 | 119.8° | 119.9° |
| CAN | CAO | H16 | 120.8° | 120.1° |
| CAP | CAQ | CAV | 122.5° | 120.0° |
| CAP | CAQ | CAR | 118.6° | 120.0° |
| CAQ | CAP | H6 | 108.7° | 109.4° |
| CAQ | CAP | H7 | 108.7° | 109.5° |
| CAU | CAV | CAQ | 122.5° | 120.0° |
| CAV | CAU | CAT | 118.2° | 120.0° |
| CAV | CAU | H4 | 120.9° | 120.0° |
| CAU | CAV | H5 | 118.7° | 120.0° |
| CAV | CAQ | CAR | 118.9° | 120.0° |
| CAQ | CAV | H5 | 118.8° | 120.0° |
| CAU | CAT | CAS | 118.9° | 120.0° |
| CAU | CAT | H3 | 120.5° | 120.0° |
| CAT | CAU | H4 | 120.9° | 120.0° |
| CAQ | CAR | CAS | 118.4° | 120.0° |
| CAQ | CAR | H1 | 120.8° | 120.0° |
| CAT | CAS | CAR | 123.0° | 120.0° |
| CAT | CAS | H2 | 118.5° | 120.0° |
| CAS | CAT | H3 | 120.5° | 120.0° |
| CAS | CAR | H1 | 120.8° | 120.0° |
| CAR | CAS | H2 | 118.5° | 120.0° |
| H6 | CAP | H7 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAG | CAF | CAC | H11 | 180.0° | 179.9° |
| CAF | CAG | CAH | H10 | 180.0° | 180.0° |
| CAG | CAF | CAC | NAB | 178.2° | 179.9° |
| CAG | CAF | CAC | CAD | 1.3° | 0.1° |
| CAF | CAG | CAH | CAI | 1.0° | 0.0° |
| CAF | CAG | CAH | H9 | 179.0° | 179.9° |
| CAC | CAF | CAG | CAH | 1.5° | 0.1° |
| CAF | CAC | NAB | CAD | 177.2° | 180.0° |
| CAF | CAC | NAB | CAA | 177.4° | 179.8° |
| CAF | CAC | CAD | CAI | 0.8° | 0.0° |
| CAF | CAC | CAD | NAE | 178.3° | 179.9° |
| CAC | CAF | CAG | H10 | 178.5° | 179.9° |
| CAG | CAH | CAI | H9 | 180.0° | 179.9° |
| CAG | CAH | CAI | CAD | 0.4° | 0.0° |
| CAG | CAH | CAI | H8 | 179.5° | 180.0° |
| CAH | CAG | CAF | H11 | 178.5° | 180.0° |
| CAC | NAB | CAA | CAJ | 173.6° | 180.0° |
| CAC | NAB | CAA | NAE | 0.4° | 0.3° |
| NAB | CAC | CAD | CAI | 178.4° | 180.0° |
| NAB | CAC | CAD | NAE | 0.7° | 0.1° |
| NAB | CAC | CAF | H11 | 1.8° | 0.0° |
| CAA | NAB | CAC | CAD | 0.2° | 0.2° |
| NAB | CAA | CAJ | CAK | 53.5° | 142.9° |
| NAB | CAA | CAJ | NAE | 172.1° | 179.7° |
| NAB | CAA | CAJ | CAO | 131.5° | 36.8° |
| NAB | CAA | NAE | CAD | 0.8° | 0.4° |
| NAB | CAA | NAE | CAP | 178.5° | 179.9° |
| CAC | CAD | CAI | CAH | 0.4° | 0.0° |
| CAC | CAD | NAE | CAA | 0.9° | 0.2° |
| CAC | CAD | CAI | NAE | 178.8° | 179.9° |
| CAC | CAD | NAE | CAP | 178.7° | 180.0° |
| CAC | CAD | CAI | H8 | 179.6° | 180.0° |
| CAD | CAC | CAF | H11 | 178.7° | 180.0° |
| CAL | CAK | CAJ | H12 | 180.0° | 180.0° |
| CAK | CAL | CAM | H13 | 180.0° | 179.9° |
| CAL | CAK | CAJ | CAA | 177.8° | 180.0° |
| CAL | CAK | CAJ | CAO | 2.7° | 0.2° |
| CAK | CAL | CAM | CAN | 2.9° | 0.1° |
| CAK | CAL | CAM | H14 | 177.1° | 180.0° |
| CAJ | CAK | CAL | CAM | 3.2° | 0.1° |
| CAK | CAJ | CAA | CAO | 175.0° | 179.7° |
| CAK | CAJ | CAA | NAE | 118.6° | 36.8° |
| CAK | CAJ | CAO | CAN | 1.8° | 0.5° |
| CAJ | CAK | CAL | H13 | 176.8° | 180.0° |
| CAK | CAJ | CAO | H16 | 178.3° | 179.7° |
| CAL | CAM | CAN | H14 | 180.0° | 179.9° |
| CAL | CAM | CAN | CAO | 2.2° | 0.2° |
| CAM | CAL | CAK | H12 | 176.8° | 179.9° |
| CAL | CAM | CAN | H15 | 177.8° | 180.0° |
| CAH | CAI | CAD | H8 | 180.0° | 180.0° |
| CAH | CAI | CAD | NAE | 178.4° | 180.0° |
| CAI | CAH | CAG | H10 | 179.0° | 180.0° |
| CAJ | CAA | NAE | CAD | 174.0° | 179.9° |
| CAJ | CAA | NAE | CAP | 8.3° | 0.2° |
| CAA | CAJ | CAO | CAN | 176.5° | 179.7° |
| CAA | CAJ | CAK | H12 | 2.2° | 0.1° |
| CAA | CAJ | CAO | H16 | 3.5° | 0.0° |
| NAE | CAA | CAJ | CAO | 56.4° | 143.5° |
| CAA | NAE | CAD | CAI | 178.0° | 179.8° |
| CAA | NAE | CAD | CAP | 177.8° | 179.7° |
| CAA | NAE | CAP | CAQ | 87.9° | 92.6° |
| CAA | NAE | CAP | H6 | 32.6° | 27.4° |
| CAA | NAE | CAP | H7 | 151.7° | 147.4° |
| CAJ | CAO | CAN | CAM | 1.5° | 0.5° |
| CAJ | CAO | CAN | H16 | 180.0° | 179.8° |
| CAO | CAJ | CAK | H12 | 177.3° | 179.8° |
| CAJ | CAO | CAN | H15 | 178.5° | 179.7° |
| CAI | CAD | NAE | CAP | 0.2° | 0.1° |
| CAD | CAI | CAH | H9 | 179.6° | 180.0° |
| CAD | NAE | CAP | CAQ | 89.5° | 87.1° |
| CAD | NAE | CAP | H6 | 150.0° | 152.9° |
| CAD | NAE | CAP | H7 | 30.9° | 32.9° |
| NAE | CAD | CAI | H8 | 1.6° | 0.0° |
| CAM | CAN | CAO | H15 | 180.0° | 179.8° |
| CAN | CAM | CAL | H13 | 177.1° | 180.0° |
| CAM | CAN | CAO | H16 | 178.5° | 179.7° |
| NAE | CAP | CAQ | H6 | 120.5° | 120.0° |
| NAE | CAP | CAQ | H7 | 120.4° | 120.1° |
| NAE | CAP | CAQ | CAV | 4.9° | 85.5° |
| NAE | CAP | CAQ | CAR | 176.5° | 95.1° |
| NAE | CAP | H6 | H7 | 118.7° | 120.0° |
| CAO | CAN | CAM | H14 | 177.8° | 179.7° |
| CAP | CAQ | CAV | CAU | 179.9° | 180.0° |
| CAP | CAQ | CAV | CAR | 178.5° | 179.4° |
| CAP | CAQ | CAR | CAS | 179.6° | 180.0° |
| CAP | CAQ | CAR | H1 | 0.4° | 0.3° |
| CAP | CAQ | CAV | H5 | 0.0° | 0.3° |
| CAQ | CAP | H6 | H7 | 118.7° | 120.0° |
| CAU | CAV | CAQ | H5 | 180.0° | 179.7° |
| CAV | CAU | CAT | H4 | 180.0° | 180.0° |
| CAU | CAV | CAQ | CAR | 1.5° | 0.6° |
| CAV | CAU | CAT | CAS | 1.6° | 0.0° |
| CAV | CAU | CAT | H3 | 178.4° | 179.9° |
| CAQ | CAV | CAU | CAT | 0.2° | 0.3° |
| CAV | CAQ | CAR | CAS | 1.8° | 0.6° |
| CAV | CAQ | CAR | H1 | 178.2° | 179.7° |
| CAQ | CAV | CAU | H4 | 179.8° | 179.7° |
| CAV | CAQ | CAP | H6 | 125.4° | 154.5° |
| CAV | CAQ | CAP | H7 | 115.5° | 34.5° |
| CAU | CAT | CAS | H3 | 180.0° | 179.9° |
| CAU | CAT | CAS | CAR | 1.3° | 0.1° |
| CAU | CAT | CAS | H2 | 178.7° | 180.0° |
| CAT | CAU | CAV | H5 | 179.8° | 180.0° |
| CAQ | CAR | CAS | CAT | 0.5° | 0.2° |
| CAQ | CAR | CAS | H1 | 180.0° | 179.7° |
| CAQ | CAR | CAS | H2 | 179.5° | 179.7° |
| CAR | CAQ | CAV | H5 | 178.5° | 179.7° |
| CAR | CAQ | CAP | H6 | 56.1° | 24.9° |
| CAR | CAQ | CAP | H7 | 63.0° | 144.9° |
| CAT | CAS | CAR | H2 | 180.0° | 179.9° |
| CAT | CAS | CAR | H1 | 179.5° | 180.0° |
| CAS | CAT | CAU | H4 | 178.4° | 180.0° |
| CAR | CAS | CAT | H3 | 178.7° | 180.0° |
| H1 | CAR | CAS | H2 | 0.5° | 0.1° |
| H2 | CAS | CAT | H3 | 1.3° | 0.1° |
| H3 | CAT | CAU | H4 | 1.6° | 0.1° |
| H4 | CAU | CAV | H5 | 0.2° | 0.0° |
| H8 | CAI | CAH | H9 | 0.5° | 0.0° |
| H9 | CAH | CAG | H10 | 1.0° | 0.1° |
| H10 | CAG | CAF | H11 | 1.5° | 0.0° |
| H12 | CAK | CAL | H13 | 3.2° | 0.0° |
| H13 | CAL | CAM | H14 | 2.9° | 0.0° |
| H14 | CAM | CAN | H15 | 2.2° | 0.1° |
| H15 | CAN | CAO | H16 | 1.5° | 0.1° |






