F4T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | OAU | sing | 1.43Å | 1.41Å | |
| OAU | CAW | sing | 1.36Å | 1.38Å | |
| CAW | CAF | doub | 1.39Å | 1.42Å | Aromatic |
| CAW | CAG | sing | 1.39Å | 1.41Å | Aromatic |
| CAF | CAI | sing | 1.38Å | 1.41Å | Aromatic |
| CAG | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAY | doub | 1.38Å | 1.41Å | Aromatic |
| OAD | SBC | doub | 1.42Å | 1.47Å | |
| CAJ | CAY | sing | 1.38Å | 1.42Å | Aromatic |
| CAY | SBC | sing | 1.76Å | 1.66Å | |
| OAE | SBC | doub | 1.42Å | 1.47Å | |
| SBC | NAS | sing | 1.66Å | 1.63Å | |
| NAS | CAZ | sing | 1.40Å | 1.37Å | |
| CAZ | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CAZ | CBA | sing | 1.40Å | 1.41Å | Aromatic |
| OAT | CAA | sing | 1.45Å | 1.43Å | |
| OAT | CAV | sing | 1.35Å | 1.43Å | |
| CAL | CAX | sing | 1.40Å | 1.40Å | Aromatic |
| CAQ | NBB | sing | 1.48Å | 1.49Å | |
| CAQ | CAO | sing | 1.51Å | 1.53Å | |
| NBB | CBA | sing | 1.39Å | 1.42Å | |
| NBB | CAR | sing | 1.40Å | 1.47Å | |
| CBA | CAK | doub | 1.39Å | 1.43Å | Aromatic |
| CAX | CAV | sing | 1.47Å | 1.50Å | |
| CAX | CAH | doub | 1.40Å | 1.39Å | Aromatic |
| CAV | OAC | doub | 1.21Å | 1.23Å | |
| CAO | CAM | sing | 1.54Å | 1.54Å | |
| CAR | CAP | sing | 1.54Å | 1.53Å | |
| CAK | CAH | sing | 1.38Å | 1.41Å | Aromatic |
| CAM | CAN | sing | 1.54Å | 1.51Å | |
| CAP | CAN | sing | 1.51Å | 1.52Å | |
| CAJ | H1 | sing | 1.08Å | 1.08Å | |
| CAG | H2 | sing | 1.08Å | 1.08Å | |
| CAB | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAF | H6 | sing | 1.08Å | 1.08Å | |
| CAI | H7 | sing | 1.08Å | 1.08Å | |
| NAS | H8 | sing | 0.97Å | 1.00Å | |
| CAL | H9 | sing | 1.08Å | 1.08Å | |
| CAA | H10 | sing | 1.09Å | 1.10Å | |
| CAA | H11 | sing | 1.09Å | 1.10Å | |
| CAA | H12 | sing | 1.09Å | 1.10Å | |
| CAH | H13 | sing | 1.08Å | 1.08Å | |
| CAK | H14 | sing | 1.08Å | 1.08Å | |
| CAQ | H15 | sing | 1.09Å | 1.10Å | |
| CAQ | H16 | sing | 1.09Å | 1.10Å | |
| CAR | H17 | sing | 1.09Å | 1.10Å | |
| CAR | H18 | sing | 1.09Å | 1.10Å | |
| CAP | H19 | sing | 1.09Å | 1.10Å | |
| CAP | H20 | sing | 1.09Å | 1.10Å | |
| CAN | H21 | sing | 1.09Å | 1.10Å | |
| CAN | H22 | sing | 1.09Å | 1.10Å | |
| CAM | H23 | sing | 1.09Å | 1.10Å | |
| CAM | H24 | sing | 1.09Å | 1.10Å | |
| CAO | H25 | sing | 1.09Å | 1.10Å | |
| CAO | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | OAU | CAW | 123.4° | 117.0° |
| OAU | CAB | H3 | 109.5° | 109.5° |
| OAU | CAB | H4 | 109.4° | 109.5° |
| OAU | CAB | H5 | 109.5° | 109.5° |
| OAU | CAW | CAF | 122.3° | 120.1° |
| OAU | CAW | CAG | 118.1° | 120.0° |
| CAF | CAW | CAG | 119.5° | 119.9° |
| CAW | CAF | CAI | 119.8° | 119.9° |
| CAW | CAF | H6 | 120.1° | 120.0° |
| CAW | CAG | CAJ | 119.3° | 119.9° |
| CAW | CAG | H2 | 120.3° | 120.1° |
| CAF | CAI | CAY | 122.1° | 120.0° |
| CAI | CAF | H6 | 120.1° | 120.0° |
| CAF | CAI | H7 | 119.0° | 120.0° |
| CAG | CAJ | CAY | 122.9° | 120.1° |
| CAG | CAJ | H1 | 118.5° | 119.9° |
| CAJ | CAG | H2 | 120.4° | 120.0° |
| CAI | CAY | CAJ | 116.4° | 120.1° |
| CAI | CAY | SBC | 122.0° | 119.9° |
| CAY | CAI | H7 | 119.0° | 120.0° |
| OAD | SBC | CAY | 116.7° | 106.4° |
| OAD | SBC | OAE | 113.9° | 123.1° |
| OAD | SBC | NAS | 100.1° | 106.4° |
| CAJ | CAY | SBC | 121.5° | 119.9° |
| CAY | CAJ | H1 | 118.6° | 120.0° |
| CAY | SBC | OAE | 104.5° | 106.4° |
| CAY | SBC | NAS | 110.2° | 107.2° |
| OAE | SBC | NAS | 111.5° | 106.4° |
| SBC | NAS | CAZ | 120.0° | 120.0° |
| SBC | NAS | H8 | 106.8° | 120.1° |
| NAS | CAZ | CAL | 120.4° | 120.0° |
| NAS | CAZ | CBA | 120.2° | 120.0° |
| CAZ | NAS | H8 | 106.8° | 120.0° |
| CAL | CAZ | CBA | 119.0° | 120.0° |
| CAZ | CAL | CAX | 122.5° | 119.9° |
| CAZ | CAL | H9 | 118.8° | 120.1° |
| CAZ | CBA | NBB | 119.4° | 120.0° |
| CAZ | CBA | CAK | 118.0° | 120.1° |
| CAA | OAT | CAV | 120.0° | 117.0° |
| OAT | CAA | H10 | 109.5° | 109.5° |
| OAT | CAA | H11 | 109.5° | 109.5° |
| OAT | CAA | H12 | 109.4° | 109.5° |
| OAT | CAV | CAX | 119.4° | 120.0° |
| OAT | CAV | OAC | 117.6° | 120.0° |
| CAL | CAX | CAV | 118.5° | 120.1° |
| CAL | CAX | CAH | 119.7° | 119.9° |
| CAX | CAL | H9 | 118.8° | 120.0° |
| NBB | CAQ | CAO | 114.2° | 108.1° |
| CAQ | NBB | CBA | 113.1° | 111.0° |
| CAQ | NBB | CAR | 119.6° | 114.8° |
| NBB | CAQ | H15 | 108.3° | 109.8° |
| NBB | CAQ | H16 | 108.3° | 109.7° |
| CAQ | CAO | CAM | 115.5° | 111.6° |
| CAO | CAQ | H15 | 108.3° | 109.8° |
| CAO | CAQ | H16 | 108.3° | 109.7° |
| CAQ | CAO | H25 | 107.9° | 109.1° |
| CAQ | CAO | H26 | 107.9° | 109.1° |
| CBA | NBB | CAR | 119.7° | 111.0° |
| NBB | CBA | CAK | 122.3° | 120.0° |
| NBB | CAR | CAP | 111.2° | 111.7° |
| NBB | CAR | H17 | 109.0° | 109.1° |
| NBB | CAR | H18 | 109.1° | 109.0° |
| CBA | CAK | CAH | 121.9° | 120.2° |
| CBA | CAK | H14 | 119.0° | 119.9° |
| CAV | CAX | CAH | 121.8° | 120.0° |
| CAX | CAV | OAC | 123.0° | 120.0° |
| CAX | CAH | CAK | 118.7° | 120.0° |
| CAX | CAH | H13 | 120.6° | 120.0° |
| CAO | CAM | CAN | 112.4° | 111.9° |
| CAO | CAM | H23 | 108.7° | 109.0° |
| CAO | CAM | H24 | 108.7° | 108.9° |
| CAM | CAO | H25 | 107.9° | 109.0° |
| CAM | CAO | H26 | 108.0° | 109.1° |
| CAR | CAP | CAN | 118.4° | 109.1° |
| CAP | CAR | H17 | 109.0° | 109.0° |
| CAP | CAR | H18 | 109.0° | 109.0° |
| CAR | CAP | H19 | 107.2° | 109.6° |
| CAR | CAP | H20 | 107.2° | 109.5° |
| CAK | CAH | H13 | 120.6° | 120.0° |
| CAH | CAK | H14 | 119.1° | 119.9° |
| CAM | CAN | CAP | 112.4° | 112.6° |
| CAM | CAN | H21 | 108.7° | 108.9° |
| CAM | CAN | H22 | 108.7° | 108.8° |
| CAN | CAM | H23 | 108.7° | 109.0° |
| CAN | CAM | H24 | 108.7° | 109.0° |
| CAN | CAP | H19 | 107.2° | 109.5° |
| CAN | CAP | H20 | 107.2° | 109.5° |
| CAP | CAN | H21 | 108.7° | 108.9° |
| CAP | CAN | H22 | 108.7° | 108.8° |
| H3 | CAB | H4 | 109.4° | 109.4° |
| H3 | CAB | H5 | 109.4° | 109.5° |
| H4 | CAB | H5 | 109.5° | 109.5° |
| H10 | CAA | H11 | 109.5° | 109.4° |
| H10 | CAA | H12 | 109.5° | 109.5° |
| H11 | CAA | H12 | 109.5° | 109.4° |
| H15 | CAQ | H16 | 109.5° | 109.7° |
| H17 | CAR | H18 | 109.5° | 109.0° |
| H19 | CAP | H20 | 109.4° | 109.6° |
| H21 | CAN | H22 | 109.4° | 108.8° |
| H23 | CAM | H24 | 109.5° | 109.0° |
| H25 | CAO | H26 | 109.5° | 109.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | OAU | CAW | CAF | 4.6° | 180.0° |
| CAB | OAU | CAW | CAG | 171.8° | 0.2° |
| OAU | CAB | H3 | H4 | 120.0° | 120.0° |
| OAU | CAB | H3 | H5 | 120.0° | 120.0° |
| OAU | CAB | H4 | H5 | 120.0° | 120.0° |
| OAU | CAW | CAF | CAG | 176.4° | 179.8° |
| OAU | CAW | CAF | CAI | 178.9° | 180.0° |
| OAU | CAW | CAG | CAJ | 177.9° | 179.7° |
| OAU | CAW | CAG | H2 | 2.1° | 0.2° |
| CAW | OAU | CAB | H3 | 180.0° | 60.0° |
| CAW | OAU | CAB | H4 | 60.0° | 60.0° |
| CAW | OAU | CAB | H5 | 60.0° | 180.0° |
| OAU | CAW | CAF | H6 | 1.1° | 0.2° |
| CAW | CAF | CAI | H6 | 180.0° | 179.7° |
| CAF | CAW | CAG | CAJ | 1.4° | 0.0° |
| CAW | CAF | CAI | CAY | 1.3° | 0.5° |
| CAF | CAW | CAG | H2 | 178.6° | 179.9° |
| CAW | CAF | CAI | H7 | 178.8° | 180.0° |
| CAG | CAW | CAF | CAI | 2.5° | 0.3° |
| CAW | CAG | CAJ | H2 | 180.0° | 179.9° |
| CAW | CAG | CAJ | CAY | 1.0° | 0.0° |
| CAW | CAG | CAJ | H1 | 179.0° | 180.0° |
| CAG | CAW | CAF | H6 | 177.5° | 180.0° |
| CAF | CAI | CAY | H7 | 180.0° | 179.5° |
| CAF | CAI | CAY | CAJ | 1.1° | 0.5° |
| CAF | CAI | CAY | SBC | 177.2° | 179.7° |
| CAG | CAJ | CAY | CAI | 2.2° | 0.2° |
| CAG | CAJ | CAY | H1 | 180.0° | 179.9° |
| CAG | CAJ | CAY | SBC | 178.4° | 180.0° |
| CAI | CAY | SBC | OAD | 40.0° | 156.2° |
| CAI | CAY | CAJ | SBC | 176.1° | 179.8° |
| CAI | CAY | SBC | OAE | 166.8° | 23.3° |
| CAI | CAY | SBC | NAS | 73.3° | 90.3° |
| CAI | CAY | CAJ | H1 | 177.8° | 179.7° |
| CAY | CAI | CAF | H6 | 178.8° | 179.7° |
| OAD | SBC | CAY | CAJ | 144.1° | 23.6° |
| OAD | SBC | CAY | OAE | 126.8° | 132.9° |
| OAD | SBC | CAY | NAS | 113.3° | 113.5° |
| OAD | SBC | OAE | NAS | 112.4° | 122.9° |
| OAD | SBC | NAS | CAZ | 167.8° | 174.0° |
| OAD | SBC | NAS | H8 | 70.7° | 6.1° |
| CAJ | CAY | SBC | OAE | 17.4° | 156.5° |
| CAJ | CAY | SBC | NAS | 102.6° | 89.9° |
| CAY | CAJ | CAG | H2 | 179.0° | 179.9° |
| CAJ | CAY | CAI | H7 | 178.9° | 180.0° |
| CAY | SBC | OAE | NAS | 119.1° | 114.1° |
| CAY | SBC | NAS | CAZ | 68.7° | 60.4° |
| SBC | CAY | CAJ | H1 | 1.7° | 0.1° |
| SBC | CAY | CAI | H7 | 2.8° | 0.2° |
| CAY | SBC | NAS | H8 | 52.8° | 119.6° |
| OAE | SBC | NAS | CAZ | 46.9° | 53.2° |
| OAE | SBC | NAS | H8 | 168.4° | 126.8° |
| SBC | NAS | CAZ | H8 | 121.5° | 180.0° |
| SBC | NAS | CAZ | CAL | 69.0° | 35.6° |
| SBC | NAS | CAZ | CBA | 103.3° | 144.7° |
| NAS | CAZ | CAL | CBA | 172.4° | 179.7° |
| NAS | CAZ | CAL | CAX | 176.3° | 180.0° |
| NAS | CAZ | CBA | NBB | 10.8° | 0.0° |
| NAS | CAZ | CBA | CAK | 175.7° | 179.8° |
| NAS | CAZ | CAL | H9 | 3.8° | 0.1° |
| CAZ | CAL | CAX | H9 | 180.0° | 180.0° |
| CAL | CAZ | CBA | NBB | 176.8° | 179.7° |
| CAL | CAZ | CBA | CAK | 3.3° | 0.5° |
| CAZ | CAL | CAX | CAV | 179.0° | 180.0° |
| CAZ | CAL | CAX | CAH | 2.2° | 0.0° |
| CAL | CAZ | NAS | H8 | 52.5° | 144.4° |
| CBA | CAZ | CAL | CAX | 3.9° | 0.3° |
| CAZ | CBA | NBB | CAQ | 47.3° | 111.1° |
| CAZ | CBA | NBB | CAK | 173.2° | 179.8° |
| CAZ | CBA | NBB | CAR | 163.1° | 120.0° |
| CAZ | CBA | CAK | CAH | 1.3° | 0.5° |
| CBA | CAZ | NAS | H8 | 135.2° | 35.3° |
| CBA | CAZ | CAL | H9 | 176.2° | 179.8° |
| CAZ | CBA | CAK | H14 | 178.7° | 179.8° |
| CAA | OAT | CAV | CAX | 170.7° | 180.0° |
| CAA | OAT | CAV | OAC | 9.9° | 0.0° |
| OAT | CAA | H10 | H11 | 120.0° | 120.0° |
| OAT | CAA | H10 | H12 | 120.0° | 120.1° |
| OAT | CAA | H11 | H12 | 120.0° | 119.9° |
| OAT | CAV | CAX | CAL | 6.1° | 180.0° |
| OAT | CAV | CAX | OAC | 179.4° | 180.0° |
| OAT | CAV | CAX | CAH | 172.5° | 0.0° |
| CAV | OAT | CAA | H10 | 180.0° | 180.0° |
| CAV | OAT | CAA | H11 | 60.0° | 60.0° |
| CAV | OAT | CAA | H12 | 60.0° | 59.9° |
| CAL | CAX | CAV | CAH | 178.7° | 180.0° |
| CAL | CAX | CAV | OAC | 174.4° | 0.1° |
| CAL | CAX | CAH | CAK | 0.1° | 0.0° |
| CAL | CAX | CAH | H13 | 179.8° | 179.9° |
| NBB | CAQ | CAO | H15 | 120.7° | 119.7° |
| NBB | CAQ | CAO | H16 | 120.7° | 119.6° |
| CAQ | NBB | CBA | CAR | 149.6° | 128.9° |
| CAQ | NBB | CBA | CAK | 125.9° | 69.1° |
| NBB | CAQ | CAO | CAM | 72.7° | 95.1° |
| CAQ | NBB | CAR | CAP | 65.5° | 62.2° |
| NBB | CAQ | H15 | H16 | 117.8° | 120.7° |
| CAQ | NBB | CAR | H17 | 54.7° | 177.2° |
| CAQ | NBB | CAR | H18 | 174.2° | 58.3° |
| NBB | CAQ | CAO | H25 | 166.4° | 144.4° |
| NBB | CAQ | CAO | H26 | 48.2° | 25.5° |
| CAO | CAQ | NBB | CBA | 156.9° | 150.3° |
| CAO | CAQ | NBB | CAR | 7.3° | 82.8° |
| CAQ | CAO | CAM | H25 | 120.9° | 120.5° |
| CAQ | CAO | CAM | H26 | 120.9° | 120.6° |
| CAQ | CAO | CAM | CAN | 22.3° | 41.0° |
| CAO | CAQ | H15 | H16 | 117.9° | 120.7° |
| CAQ | CAO | CAM | H23 | 98.1° | 161.6° |
| CAQ | CAO | CAM | H24 | 142.7° | 79.7° |
| CAQ | CAO | H25 | H26 | 117.3° | 119.0° |
| CBA | NBB | CAR | CAP | 82.1° | 170.8° |
| NBB | CBA | CAK | CAH | 174.6° | 179.7° |
| NBB | CBA | CAK | H14 | 5.4° | 0.0° |
| CBA | NBB | CAQ | H15 | 36.2° | 90.0° |
| CBA | NBB | CAQ | H16 | 82.4° | 30.7° |
| CBA | NBB | CAR | H17 | 157.7° | 50.3° |
| CBA | NBB | CAR | H18 | 38.2° | 68.6° |
| CAR | NBB | CBA | CAK | 23.7° | 59.8° |
| NBB | CAR | CAP | H17 | 120.2° | 120.7° |
| NBB | CAR | CAP | H18 | 120.3° | 120.6° |
| NBB | CAR | CAP | CAN | 34.1° | 77.4° |
| CAR | NBB | CAQ | H15 | 113.4° | 36.9° |
| CAR | NBB | CAQ | H16 | 128.0° | 157.5° |
| NBB | CAR | H17 | H18 | 119.3° | 118.9° |
| NBB | CAR | CAP | H19 | 155.4° | 42.5° |
| NBB | CAR | CAP | H20 | 87.2° | 162.8° |
| CBA | CAK | CAH | CAX | 0.2° | 0.2° |
| CBA | CAK | CAH | H14 | 180.0° | 179.7° |
| CBA | CAK | CAH | H13 | 179.8° | 179.8° |
| CAV | CAX | CAH | CAK | 178.8° | 180.0° |
| CAV | CAX | CAL | H9 | 1.0° | 0.0° |
| CAV | CAX | CAH | H13 | 1.2° | 0.0° |
| CAH | CAX | CAV | OAC | 6.9° | 180.0° |
| CAX | CAH | CAK | H13 | 180.0° | 180.0° |
| CAH | CAX | CAL | H9 | 177.8° | 179.9° |
| CAX | CAH | CAK | H14 | 179.7° | 180.0° |
| CAO | CAM | CAN | H23 | 120.4° | 120.6° |
| CAO | CAM | CAN | H24 | 120.4° | 120.6° |
| CAO | CAM | CAN | CAP | 63.2° | 41.5° |
| CAM | CAO | CAQ | H15 | 48.0° | 24.6° |
| CAM | CAO | CAQ | H16 | 166.6° | 145.3° |
| CAO | CAM | CAN | H21 | 57.3° | 162.3° |
| CAO | CAM | CAN | H22 | 176.4° | 79.3° |
| CAO | CAM | H23 | H24 | 118.7° | 118.7° |
| CAM | CAO | H25 | H26 | 117.3° | 118.9° |
| CAR | CAP | CAN | CAM | 55.9° | 93.0° |
| CAR | CAP | CAN | H19 | 121.3° | 119.9° |
| CAR | CAP | CAN | H20 | 121.3° | 119.9° |
| CAP | CAR | H17 | H18 | 119.2° | 118.8° |
| CAR | CAP | H19 | H20 | 115.9° | 120.3° |
| CAR | CAP | CAN | H21 | 64.5° | 146.1° |
| CAR | CAP | CAN | H22 | 176.4° | 27.7° |
| CAM | CAN | CAP | H21 | 120.4° | 120.9° |
| CAM | CAN | CAP | H22 | 120.5° | 120.7° |
| CAM | CAN | CAP | H19 | 65.4° | 26.9° |
| CAM | CAN | CAP | H20 | 177.2° | 147.1° |
| CAM | CAN | H21 | H22 | 118.6° | 118.4° |
| CAN | CAM | H23 | H24 | 118.6° | 118.9° |
| CAN | CAM | CAO | H25 | 143.2° | 161.5° |
| CAN | CAM | CAO | H26 | 98.6° | 79.6° |
| CAN | CAP | CAR | H17 | 86.1° | 162.0° |
| CAN | CAP | CAR | H18 | 154.4° | 43.2° |
| CAN | CAP | H19 | H20 | 115.9° | 120.2° |
| CAP | CAN | H21 | H22 | 118.7° | 118.5° |
| CAP | CAN | CAM | H23 | 176.4° | 79.1° |
| CAP | CAN | CAM | H24 | 57.3° | 162.1° |
| H1 | CAJ | CAG | H2 | 1.0° | 0.1° |
| H3 | CAB | H4 | H5 | 120.0° | 120.0° |
| H6 | CAF | CAI | H7 | 1.2° | 0.3° |
| H10 | CAA | H11 | H12 | 120.0° | 120.0° |
| H13 | CAH | CAK | H14 | 0.3° | 0.1° |
| H15 | CAQ | CAO | H25 | 72.9° | 95.9° |
| H15 | CAQ | CAO | H26 | 168.9° | 145.2° |
| H16 | CAQ | CAO | H25 | 45.7° | 24.8° |
| H16 | CAQ | CAO | H26 | 72.5° | 94.2° |
| H17 | CAR | CAP | H19 | 35.2° | 78.2° |
| H17 | CAR | CAP | H20 | 152.5° | 42.1° |
| H18 | CAR | CAP | H19 | 84.3° | 163.0° |
| H18 | CAR | CAP | H20 | 33.1° | 76.7° |
| H19 | CAP | CAN | H21 | 174.1° | 94.0° |
| H19 | CAP | CAN | H22 | 55.1° | 147.6° |
| H20 | CAP | CAN | H21 | 56.8° | 26.3° |
| H20 | CAP | CAN | H22 | 62.3° | 92.2° |
| H21 | CAN | CAM | H23 | 63.2° | 41.8° |
| H21 | CAN | CAM | H24 | 177.7° | 77.1° |
| H22 | CAN | CAM | H23 | 55.9° | 160.2° |
| H22 | CAN | CAM | H24 | 63.2° | 41.3° |
| H23 | CAM | CAO | H25 | 22.7° | 77.9° |
| H23 | CAM | CAO | H26 | 141.0° | 41.0° |
| H24 | CAM | CAO | H25 | 96.4° | 40.9° |
| H24 | CAM | CAO | H26 | 21.9° | 159.8° |
