F1R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CLA | CAI | sing | 1.74Å | 1.77Å | |
| CAN | CAI | doub | 1.36Å | 1.39Å | Aromatic |
| CAN | CAM | sing | 1.41Å | 1.42Å | Aromatic |
| CAI | CAJ | sing | 1.40Å | 1.39Å | Aromatic |
| NAA | CAM | doub | 1.33Å | 1.37Å | Aromatic |
| NAA | CAO | sing | 1.33Å | 1.37Å | Aromatic |
| CAV | CAO | doub | 1.41Å | 1.43Å | Aromatic |
| CAV | CAU | sing | 1.36Å | 1.39Å | Aromatic |
| CAM | CAL | sing | 1.46Å | 1.38Å | Aromatic |
| CAO | CAP | sing | 1.42Å | 1.38Å | Aromatic |
| CAU | CAS | doub | 1.40Å | 1.40Å | Aromatic |
| CAJ | CAK | doub | 1.36Å | 1.38Å | Aromatic |
| CAL | CAK | sing | 1.40Å | 1.42Å | Aromatic |
| CAL | CAQ | doub | 1.41Å | 1.44Å | Aromatic |
| CAP | CAQ | sing | 1.41Å | 1.44Å | Aromatic |
| CAP | CAR | doub | 1.41Å | 1.43Å | Aromatic |
| CAS | CAR | sing | 1.36Å | 1.40Å | Aromatic |
| CAS | OAZ | sing | 1.36Å | 1.40Å | |
| CAQ | NAB | sing | 1.38Å | 1.47Å | |
| NAG | CAY | sing | 1.38Å | 1.45Å | |
| OAZ | CAT | sing | 1.43Å | 1.40Å | |
| NAB | CBB | sing | 1.47Å | 1.47Å | |
| CAY | NAH | doub | 1.33Å | 1.32Å | Aromatic |
| CAY | NAF | sing | 1.33Å | 1.32Å | Aromatic |
| NAH | CAW | sing | 1.33Å | 1.33Å | Aromatic |
| NAF | CAX | doub | 1.33Å | 1.32Å | Aromatic |
| CBB | CBC | sing | 1.53Å | 1.54Å | |
| CAW | NAC | sing | 1.38Å | 1.45Å | |
| CAW | NAD | doub | 1.33Å | 1.32Å | Aromatic |
| CAX | NAD | sing | 1.33Å | 1.32Å | Aromatic |
| CAX | NAE | sing | 1.38Å | 1.45Å | |
| CBC | CBD | sing | 1.53Å | 1.54Å | |
| NAE | CBE | sing | 1.46Å | 1.45Å | |
| CBD | CBE | sing | 1.53Å | 1.53Å | |
| CAJ | H1 | sing | 1.08Å | 1.08Å | |
| CAK | H2 | sing | 1.08Å | 1.08Å | |
| CAN | H3 | sing | 1.08Å | 1.08Å | |
| CAR | H4 | sing | 1.08Å | 1.08Å | |
| CAT | H5 | sing | 1.09Å | 1.10Å | |
| CAT | H6 | sing | 1.09Å | 1.10Å | |
| CAT | H7 | sing | 1.09Å | 1.10Å | |
| CAU | H8 | sing | 1.08Å | 1.08Å | |
| CAV | H9 | sing | 1.08Å | 1.08Å | |
| CBB | H10 | sing | 1.09Å | 1.10Å | |
| CBB | H11 | sing | 1.09Å | 1.10Å | |
| CBC | H12 | sing | 1.09Å | 1.10Å | |
| CBC | H13 | sing | 1.09Å | 1.10Å | |
| CBD | H14 | sing | 1.09Å | 1.10Å | |
| CBD | H15 | sing | 1.09Å | 1.10Å | |
| CBE | H16 | sing | 1.09Å | 1.10Å | |
| CBE | H17 | sing | 1.09Å | 1.10Å | |
| NAB | H18 | sing | 1.01Å | 1.00Å | |
| NAC | H19 | sing | 0.97Å | 1.00Å | |
| NAC | H20 | sing | 0.97Å | 1.00Å | |
| NAE | H21 | sing | 0.97Å | 1.00Å | |
| NAG | H22 | sing | 0.97Å | 1.00Å | |
| NAG | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CLA | CAI | CAN | 120.1° | 119.1° |
| CLA | CAI | CAJ | 118.2° | 119.1° |
| CAI | CAN | CAM | 119.0° | 119.5° |
| CAN | CAI | CAJ | 121.7° | 121.8° |
| CAI | CAN | H3 | 120.5° | 120.2° |
| CAN | CAM | NAA | 119.9° | 121.3° |
| CAN | CAM | CAL | 120.0° | 118.5° |
| CAM | CAN | H3 | 120.5° | 120.2° |
| CAI | CAJ | CAK | 119.0° | 121.5° |
| CAI | CAJ | H1 | 120.5° | 119.3° |
| CAM | NAA | CAO | 120.7° | 121.8° |
| NAA | CAM | CAL | 120.2° | 120.2° |
| NAA | CAO | CAV | 117.1° | 119.8° |
| NAA | CAO | CAP | 122.8° | 121.3° |
| CAO | CAV | CAU | 119.7° | 120.0° |
| CAV | CAO | CAP | 120.1° | 118.9° |
| CAO | CAV | H9 | 120.2° | 120.0° |
| CAV | CAU | CAS | 120.6° | 121.0° |
| CAV | CAU | H8 | 119.7° | 119.5° |
| CAU | CAV | H9 | 120.1° | 120.0° |
| CAM | CAL | CAK | 119.6° | 119.2° |
| CAM | CAL | CAQ | 120.7° | 119.0° |
| CAO | CAP | CAQ | 117.9° | 119.9° |
| CAO | CAP | CAR | 120.2° | 119.7° |
| CAU | CAS | CAR | 120.1° | 120.8° |
| CAU | CAS | OAZ | 119.2° | 119.6° |
| CAS | CAU | H8 | 119.7° | 119.5° |
| CAJ | CAK | CAL | 120.6° | 119.5° |
| CAK | CAJ | H1 | 120.5° | 119.3° |
| CAJ | CAK | H2 | 119.7° | 120.2° |
| CAK | CAL | CAQ | 119.7° | 121.8° |
| CAL | CAK | H2 | 119.7° | 120.3° |
| CAL | CAQ | CAP | 117.8° | 117.7° |
| CAL | CAQ | NAB | 121.8° | 121.2° |
| CAQ | CAP | CAR | 121.9° | 120.4° |
| CAP | CAQ | NAB | 120.5° | 121.1° |
| CAP | CAR | CAS | 119.3° | 119.7° |
| CAP | CAR | H4 | 120.4° | 120.2° |
| CAR | CAS | OAZ | 120.7° | 119.6° |
| CAS | CAR | H4 | 120.4° | 120.1° |
| CAS | OAZ | CAT | 114.7° | 117.0° |
| CAQ | NAB | CBB | 124.7° | 111.0° |
| CAQ | NAB | H18 | 105.6° | 111.0° |
| NAG | CAY | NAH | 120.3° | 120.0° |
| NAG | CAY | NAF | 119.2° | 120.0° |
| CAY | NAG | H22 | 109.5° | 120.0° |
| CAY | NAG | H23 | 109.5° | 120.0° |
| OAZ | CAT | H5 | 109.5° | 109.5° |
| OAZ | CAT | H6 | 109.4° | 109.5° |
| OAZ | CAT | H7 | 109.4° | 109.5° |
| NAB | CBB | CBC | 112.6° | 109.5° |
| NAB | CBB | H10 | 108.7° | 109.5° |
| NAB | CBB | H11 | 108.7° | 109.5° |
| CBB | NAB | H18 | 105.5° | 111.0° |
| NAH | CAY | NAF | 120.5° | 120.0° |
| CAY | NAH | CAW | 120.3° | 120.0° |
| CAY | NAF | CAX | 118.8° | 120.0° |
| NAH | CAW | NAC | 121.4° | 120.0° |
| NAH | CAW | NAD | 119.3° | 120.0° |
| NAF | CAX | NAD | 121.3° | 120.0° |
| NAF | CAX | NAE | 119.8° | 120.0° |
| CBB | CBC | CBD | 113.8° | 109.5° |
| CBC | CBB | H10 | 108.7° | 109.5° |
| CBC | CBB | H11 | 108.7° | 109.5° |
| CBB | CBC | H12 | 108.4° | 109.5° |
| CBB | CBC | H13 | 108.4° | 109.5° |
| NAC | CAW | NAD | 119.2° | 120.0° |
| CAW | NAC | H19 | 109.5° | 120.0° |
| CAW | NAC | H20 | 109.5° | 120.0° |
| CAW | NAD | CAX | 119.8° | 120.0° |
| NAD | CAX | NAE | 118.9° | 120.0° |
| CAX | NAE | CBE | 117.2° | 120.0° |
| CAX | NAE | H21 | 107.5° | 120.0° |
| CBC | CBD | CBE | 112.6° | 109.5° |
| CBD | CBC | H12 | 108.4° | 109.5° |
| CBD | CBC | H13 | 108.4° | 109.5° |
| CBC | CBD | H14 | 108.7° | 109.4° |
| CBC | CBD | H15 | 108.7° | 109.4° |
| NAE | CBE | CBD | 107.4° | 109.5° |
| NAE | CBE | H16 | 110.0° | 109.5° |
| NAE | CBE | H17 | 110.0° | 109.5° |
| CBE | NAE | H21 | 107.5° | 120.0° |
| CBE | CBD | H14 | 108.7° | 109.5° |
| CBE | CBD | H15 | 108.7° | 109.5° |
| CBD | CBE | H16 | 110.0° | 109.5° |
| CBD | CBE | H17 | 110.0° | 109.5° |
| H5 | CAT | H6 | 109.5° | 109.5° |
| H5 | CAT | H7 | 109.5° | 109.4° |
| H6 | CAT | H7 | 109.5° | 109.4° |
| H10 | CBB | H11 | 109.5° | 109.5° |
| H12 | CBC | H13 | 109.5° | 109.4° |
| H14 | CBD | H15 | 109.5° | 109.5° |
| H16 | CBE | H17 | 109.5° | 109.5° |
| H19 | NAC | H20 | 109.4° | 120.1° |
| H22 | NAG | H23 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CLA | CAI | CAN | CAJ | 179.6° | 179.9° |
| CLA | CAI | CAN | CAM | 179.3° | 179.7° |
| CLA | CAI | CAJ | CAK | 178.9° | 179.7° |
| CLA | CAI | CAJ | H1 | 1.1° | 0.2° |
| CLA | CAI | CAN | H3 | 0.7° | 0.2° |
| CAI | CAN | CAM | H3 | 180.0° | 179.9° |
| CAI | CAN | CAM | NAA | 179.9° | 180.0° |
| CAI | CAN | CAM | CAL | 0.3° | 0.1° |
| CAN | CAI | CAJ | CAK | 0.7° | 0.2° |
| CAN | CAI | CAJ | H1 | 179.2° | 179.9° |
| CAM | CAN | CAI | CAJ | 0.3° | 0.1° |
| CAN | CAM | NAA | CAL | 179.8° | 180.0° |
| CAN | CAM | NAA | CAO | 179.5° | 180.0° |
| CAN | CAM | CAL | CAK | 0.8° | 0.0° |
| CAN | CAM | CAL | CAQ | 179.9° | 180.0° |
| CAI | CAJ | CAK | H1 | 180.0° | 179.9° |
| CAI | CAJ | CAK | CAL | 1.2° | 0.1° |
| CAI | CAJ | CAK | H2 | 178.8° | 180.0° |
| CAJ | CAI | CAN | H3 | 179.7° | 180.0° |
| CAM | NAA | CAO | CAV | 179.7° | 180.0° |
| CAM | NAA | CAO | CAP | 0.3° | 0.0° |
| NAA | CAM | CAL | CAK | 179.4° | 180.0° |
| NAA | CAM | CAL | CAQ | 0.3° | 0.0° |
| NAA | CAM | CAN | H3 | 0.1° | 0.1° |
| NAA | CAO | CAV | CAP | 180.0° | 180.0° |
| NAA | CAO | CAV | CAU | 180.0° | 180.0° |
| CAO | NAA | CAM | CAL | 0.7° | 0.0° |
| NAA | CAO | CAP | CAQ | 0.5° | 0.1° |
| NAA | CAO | CAP | CAR | 180.0° | 179.9° |
| NAA | CAO | CAV | H9 | 0.0° | 0.1° |
| CAO | CAV | CAU | H9 | 180.0° | 180.0° |
| CAO | CAV | CAU | CAS | 0.1° | 0.1° |
| CAV | CAO | CAP | CAQ | 179.5° | 180.0° |
| CAV | CAO | CAP | CAR | 0.1° | 0.0° |
| CAO | CAV | CAU | H8 | 179.9° | 180.0° |
| CAU | CAV | CAO | CAP | 0.0° | 0.0° |
| CAV | CAU | CAS | H8 | 180.0° | 180.0° |
| CAV | CAU | CAS | CAR | 0.1° | 0.1° |
| CAV | CAU | CAS | OAZ | 179.7° | 180.0° |
| CAM | CAL | CAK | CAJ | 1.2° | 0.0° |
| CAM | CAL | CAK | CAQ | 179.1° | 180.0° |
| CAM | CAL | CAQ | CAP | 0.4° | 0.0° |
| CAM | CAL | CAQ | NAB | 179.5° | 180.0° |
| CAM | CAL | CAK | H2 | 178.8° | 180.0° |
| CAL | CAM | CAN | H3 | 179.7° | 180.0° |
| CAO | CAP | CAQ | CAL | 0.8° | 0.1° |
| CAO | CAP | CAQ | CAR | 179.6° | 180.0° |
| CAO | CAP | CAR | CAS | 0.0° | 0.0° |
| CAO | CAP | CAQ | NAB | 179.8° | 179.9° |
| CAO | CAP | CAR | H4 | 180.0° | 180.0° |
| CAP | CAO | CAV | H9 | 180.0° | 180.0° |
| CAU | CAS | CAR | CAP | 0.0° | 0.0° |
| CAU | CAS | CAR | OAZ | 179.7° | 179.9° |
| CAU | CAS | OAZ | CAT | 132.8° | 0.1° |
| CAU | CAS | CAR | H4 | 180.0° | 179.9° |
| CAS | CAU | CAV | H9 | 179.9° | 180.0° |
| CAJ | CAK | CAL | H2 | 180.0° | 179.9° |
| CAJ | CAK | CAL | CAQ | 179.7° | 180.0° |
| CAK | CAL | CAQ | CAP | 178.7° | 180.0° |
| CAK | CAL | CAQ | NAB | 0.4° | 0.0° |
| CAL | CAK | CAJ | H1 | 178.8° | 180.0° |
| CAL | CAQ | CAP | NAB | 179.1° | 180.0° |
| CAL | CAQ | CAP | CAR | 179.7° | 179.9° |
| CAL | CAQ | NAB | CBB | 53.1° | 84.7° |
| CAQ | CAL | CAK | H2 | 0.3° | 0.0° |
| CAL | CAQ | NAB | H18 | 175.1° | 39.2° |
| CAQ | CAP | CAR | CAS | 179.5° | 180.0° |
| CAP | CAQ | NAB | CBB | 127.9° | 95.3° |
| CAQ | CAP | CAR | H4 | 0.5° | 0.0° |
| CAP | CAQ | NAB | H18 | 5.8° | 140.8° |
| CAP | CAR | CAS | H4 | 180.0° | 180.0° |
| CAP | CAR | CAS | OAZ | 179.7° | 179.9° |
| CAR | CAP | CAQ | NAB | 0.6° | 0.1° |
| CAR | CAS | OAZ | CAT | 47.5° | 180.0° |
| CAR | CAS | CAU | H8 | 179.9° | 180.0° |
| OAZ | CAS | CAR | H4 | 0.3° | 0.0° |
| CAS | OAZ | CAT | H5 | 180.0° | 180.0° |
| CAS | OAZ | CAT | H6 | 60.0° | 60.0° |
| CAS | OAZ | CAT | H7 | 60.0° | 60.0° |
| OAZ | CAS | CAU | H8 | 0.2° | 0.1° |
| CAQ | NAB | CBB | H18 | 122.1° | 123.9° |
| CAQ | NAB | CBB | CBC | 135.5° | 174.8° |
| CAQ | NAB | CBB | H10 | 104.0° | 65.2° |
| CAQ | NAB | CBB | H11 | 15.1° | 54.9° |
| NAG | CAY | NAH | NAF | 179.2° | 180.0° |
| NAG | CAY | NAH | CAW | 179.3° | 180.0° |
| NAG | CAY | NAF | CAX | 179.8° | 179.7° |
| CAY | NAG | H22 | H23 | 120.0° | 180.0° |
| OAZ | CAT | H5 | H6 | 120.0° | 120.1° |
| OAZ | CAT | H5 | H7 | 120.0° | 120.0° |
| OAZ | CAT | H6 | H7 | 120.0° | 120.0° |
| NAB | CBB | CBC | H10 | 120.5° | 120.1° |
| NAB | CBB | CBC | H11 | 120.5° | 120.0° |
| NAB | CBB | CBC | CBD | 53.8° | 180.0° |
| NAB | CBB | H10 | H11 | 118.6° | 120.0° |
| NAB | CBB | CBC | H12 | 66.8° | 60.0° |
| NAB | CBB | CBC | H13 | 174.5° | 60.0° |
| NAH | CAY | NAF | CAX | 0.5° | 0.3° |
| CAY | NAH | CAW | NAC | 179.1° | 180.0° |
| CAY | NAH | CAW | NAD | 1.7° | 0.3° |
| NAH | CAY | NAG | H22 | 0.0° | 0.0° |
| NAH | CAY | NAG | H23 | 120.0° | 180.0° |
| NAF | CAY | NAH | CAW | 1.5° | 0.0° |
| CAY | NAF | CAX | NAD | 0.2° | 0.3° |
| CAY | NAF | CAX | NAE | 179.6° | 179.7° |
| NAF | CAY | NAG | H22 | 179.3° | 180.0° |
| NAF | CAY | NAG | H23 | 59.2° | 0.0° |
| NAH | CAW | NAC | NAD | 177.4° | 179.7° |
| NAH | CAW | NAD | CAX | 1.0° | 0.3° |
| NAH | CAW | NAC | H19 | 0.0° | 179.7° |
| NAH | CAW | NAC | H20 | 120.0° | 0.3° |
| NAF | CAX | NAD | CAW | 0.1° | 0.0° |
| NAF | CAX | NAD | NAE | 179.5° | 180.0° |
| NAF | CAX | NAE | CBE | 172.8° | 0.0° |
| NAF | CAX | NAE | H21 | 51.7° | 180.0° |
| CBB | CBC | CBD | H12 | 120.7° | 120.0° |
| CBB | CBC | CBD | H13 | 120.6° | 120.1° |
| CBB | CBC | CBD | CBE | 88.9° | 180.0° |
| CBC | CBB | H10 | H11 | 118.6° | 120.0° |
| CBB | CBC | H12 | H13 | 118.0° | 120.0° |
| CBB | CBC | CBD | H14 | 31.5° | 60.0° |
| CBB | CBC | CBD | H15 | 150.6° | 60.0° |
| CBC | CBB | NAB | H18 | 13.5° | 61.3° |
| NAC | CAW | NAD | CAX | 178.4° | 180.0° |
| CAW | NAC | H19 | H20 | 120.0° | 180.0° |
| CAW | NAD | CAX | NAE | 179.4° | 180.0° |
| NAD | CAW | NAC | H19 | 177.4° | 0.0° |
| NAD | CAW | NAC | H20 | 62.6° | 180.0° |
| NAD | CAX | NAE | CBE | 6.7° | 180.0° |
| NAD | CAX | NAE | H21 | 127.8° | 0.1° |
| CAX | NAE | CBE | H21 | 121.1° | 179.9° |
| CAX | NAE | CBE | CBD | 84.8° | 180.0° |
| CAX | NAE | CBE | H16 | 155.5° | 60.0° |
| CAX | NAE | CBE | H17 | 34.9° | 60.0° |
| CBC | CBD | CBE | NAE | 73.2° | 180.0° |
| CBC | CBD | CBE | H14 | 120.5° | 120.0° |
| CBC | CBD | CBE | H15 | 120.5° | 120.0° |
| CBD | CBC | CBB | H10 | 174.3° | 60.0° |
| CBD | CBC | CBB | H11 | 66.6° | 60.0° |
| CBD | CBC | H12 | H13 | 118.1° | 120.0° |
| CBC | CBD | H14 | H15 | 118.6° | 119.9° |
| CBC | CBD | CBE | H16 | 46.5° | 60.0° |
| CBC | CBD | CBE | H17 | 167.1° | 60.0° |
| NAE | CBE | CBD | H16 | 119.7° | 120.0° |
| NAE | CBE | CBD | H17 | 119.7° | 120.0° |
| NAE | CBE | CBD | H14 | 47.3° | 60.0° |
| NAE | CBE | CBD | H15 | 166.3° | 60.0° |
| NAE | CBE | H16 | H17 | 121.0° | 120.0° |
| CBE | CBD | CBC | H12 | 150.4° | 60.0° |
| CBE | CBD | CBC | H13 | 31.7° | 59.9° |
| CBE | CBD | H14 | H15 | 118.6° | 120.0° |
| CBD | CBE | H16 | H17 | 121.0° | 120.0° |
| CBD | CBE | NAE | H21 | 36.3° | 0.0° |
| H1 | CAJ | CAK | H2 | 1.2° | 0.1° |
| H5 | CAT | H6 | H7 | 120.0° | 119.9° |
| H8 | CAU | CAV | H9 | 0.1° | 0.0° |
| H10 | CBB | CBC | H12 | 53.7° | 60.0° |
| H10 | CBB | CBC | H13 | 65.1° | 180.0° |
| H10 | CBB | NAB | H18 | 133.9° | 58.7° |
| H11 | CBB | CBC | H12 | 172.7° | NaN° |
| H11 | CBB | CBC | H13 | 54.0° | 60.0° |
| H11 | CBB | NAB | H18 | 107.0° | 178.8° |
| H12 | CBC | CBD | H14 | 89.1° | 180.0° |
| H12 | CBC | CBD | H15 | 29.9° | 60.0° |
| H13 | CBC | CBD | H14 | 152.1° | 60.1° |
| H13 | CBC | CBD | H15 | 88.8° | 180.0° |
| H14 | CBD | CBE | H16 | 167.0° | 180.0° |
| H14 | CBD | CBE | H17 | 72.4° | 60.0° |
| H15 | CBD | CBE | H16 | 74.0° | 60.0° |
| H15 | CBD | CBE | H17 | 46.7° | 180.0° |
| H16 | CBE | NAE | H21 | 83.4° | 120.0° |
| H17 | CBE | NAE | H21 | 156.0° | 120.0° |
