FI4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FAD | CAU | sing | 1.35Å | 1.35Å | |
| CAU | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CAU | CAX | sing | 1.39Å | 1.40Å | Aromatic |
| CAL | CAT | sing | 1.38Å | 1.40Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAT | FAC | sing | 1.35Å | 1.34Å | |
| CAT | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAK | CAX | doub | 1.39Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAX | OAS | sing | 1.36Å | 1.37Å | |
| OAS | CAW | sing | 1.35Å | 1.37Å | |
| CAW | NAP | doub | 1.32Å | 1.35Å | Aromatic |
| CAW | NAO | sing | 1.33Å | 1.35Å | Aromatic |
| NAP | CBB | sing | 1.33Å | 1.35Å | Aromatic |
| NAO | CAZ | doub | 1.33Å | 1.36Å | Aromatic |
| CAZ | NAQ | sing | 1.38Å | 1.36Å | |
| CAZ | CBC | sing | 1.41Å | 1.41Å | Aromatic |
| NAQ | CAM | sing | 1.46Å | 1.47Å | |
| NAQ | HNAQ | sing | 0.97Å | 1.00Å | |
| CAM | CBD | sing | 1.53Å | 1.55Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| CBD | OAB | sing | 1.43Å | 1.44Å | |
| CBD | CAA | sing | 1.53Å | 1.53Å | |
| CBD | HBD | sing | 1.09Å | 1.10Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CBC | CBB | doub | 1.41Å | 1.39Å | Aromatic |
| CBC | CBA | sing | 1.46Å | 1.41Å | Aromatic |
| CBB | NAR | sing | 1.36Å | 1.34Å | Aromatic |
| NAR | NAN | sing | 1.40Å | 1.40Å | Aromatic |
| NAN | CBA | doub | 1.31Å | 1.36Å | Aromatic |
| CBA | CAY | sing | 1.48Å | 1.40Å | Aromatic |
| CAY | CAV | doub | 1.40Å | 1.38Å | Aromatic |
| CAY | CAJ | sing | 1.39Å | 1.40Å | Aromatic |
| CAV | CLAE | sing | 1.74Å | 1.78Å | |
| CAV | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAG | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAF | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| NAR | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FAD | CAU | CAL | 119.7° | 120.1° |
| FAD | CAU | CAX | 120.4° | 120.0° |
| CAL | CAU | CAX | 119.9° | 119.9° |
| CAU | CAL | CAT | 119.5° | 120.0° |
| CAU | CAL | HAL | 120.3° | 120.0° |
| CAU | CAX | CAK | 120.4° | 119.9° |
| CAU | CAX | OAS | 121.1° | 120.0° |
| CAT | CAL | HAL | 120.3° | 120.0° |
| CAL | CAT | FAC | 120.5° | 120.0° |
| CAL | CAT | CAH | 120.3° | 120.1° |
| FAC | CAT | CAH | 119.2° | 120.0° |
| CAT | CAH | CAK | 120.3° | 120.1° |
| CAT | CAH | HAH | 119.9° | 120.0° |
| CAK | CAH | HAH | 119.9° | 120.0° |
| CAH | CAK | CAX | 119.6° | 120.0° |
| CAH | CAK | HAK | 120.2° | 120.0° |
| CAX | CAK | HAK | 120.2° | 120.0° |
| CAK | CAX | OAS | 118.5° | 120.1° |
| CAX | OAS | CAW | 121.2° | 118.0° |
| OAS | CAW | NAP | 121.6° | 118.8° |
| OAS | CAW | NAO | 118.6° | 118.7° |
| NAP | CAW | NAO | 119.8° | 122.5° |
| CAW | NAP | CBB | 118.8° | 120.7° |
| CAW | NAO | CAZ | 123.0° | 121.1° |
| NAP | CBB | CBC | 123.5° | 118.7° |
| NAP | CBB | NAR | 125.3° | 134.4° |
| NAO | CAZ | NAQ | 117.6° | 120.8° |
| NAO | CAZ | CBC | 118.6° | 118.4° |
| NAQ | CAZ | CBC | 123.8° | 120.8° |
| CAZ | NAQ | CAM | 121.1° | 120.0° |
| CAZ | NAQ | HNAQ | 105.8° | 120.0° |
| CAZ | CBC | CBB | 116.4° | 118.6° |
| CAZ | CBC | CBA | 138.2° | 134.9° |
| CAM | NAQ | HNAQ | 105.7° | 120.0° |
| NAQ | CAM | CBD | 106.9° | 109.5° |
| NAQ | CAM | HAM | 110.4° | 109.5° |
| NAQ | CAM | HAMA | 110.9° | 109.5° |
| CBD | CAM | HAM | 110.4° | 109.5° |
| CBD | CAM | HAMA | 110.9° | 109.4° |
| CAM | CBD | OAB | 112.8° | 109.5° |
| CAM | CBD | CAA | 114.0° | 109.5° |
| CAM | CBD | HBD | 103.3° | 109.5° |
| HAM | CAM | HAMA | 107.4° | 109.5° |
| OAB | CBD | CAA | 107.7° | 109.5° |
| OAB | CBD | HBD | 110.1° | 109.5° |
| CBD | OAB | HOAB | 109.5° | 114.0° |
| CAA | CBD | HBD | 108.8° | 109.5° |
| CBD | CAA | HAA | 109.5° | 109.5° |
| CBD | CAA | HAAA | 109.5° | 109.4° |
| CBD | CAA | HAAB | 109.5° | 109.5° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| CBB | CBC | CBA | 105.4° | 106.5° |
| CBC | CBB | NAR | 111.2° | 106.9° |
| CBC | CBA | NAN | 107.6° | 107.4° |
| CBC | CBA | CAY | 130.4° | 126.3° |
| CBB | NAR | NAN | 106.2° | 109.4° |
| CBB | NAR | H16 | 127.0° | 125.3° |
| NAR | NAN | CBA | 109.6° | 109.9° |
| NAN | NAR | H16 | 126.9° | 125.2° |
| NAN | CBA | CAY | 122.0° | 126.3° |
| CBA | CAY | CAV | 122.8° | 120.1° |
| CBA | CAY | CAJ | 118.2° | 120.1° |
| CAV | CAY | CAJ | 119.0° | 119.8° |
| CAY | CAV | CLAE | 119.2° | 120.1° |
| CAY | CAV | CAI | 121.1° | 119.8° |
| CAY | CAJ | CAG | 120.6° | 119.9° |
| CAY | CAJ | HAJ | 119.7° | 120.1° |
| CLAE | CAV | CAI | 119.7° | 120.1° |
| CAV | CAI | CAF | 119.8° | 120.2° |
| CAV | CAI | HAI | 120.1° | 119.9° |
| CAG | CAJ | HAJ | 119.7° | 120.1° |
| CAJ | CAG | CAF | 120.0° | 120.2° |
| CAJ | CAG | HAG | 120.0° | 119.9° |
| CAF | CAG | HAG | 120.0° | 119.9° |
| CAG | CAF | CAI | 119.5° | 120.3° |
| CAG | CAF | HAF | 120.2° | 119.9° |
| CAI | CAF | HAF | 120.3° | 119.9° |
| CAF | CAI | HAI | 120.1° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FAD | CAU | CAL | CAX | 179.9° | 179.7° |
| FAD | CAU | CAL | CAT | 179.9° | 180.0° |
| FAD | CAU | CAL | HAL | 0.1° | 0.1° |
| FAD | CAU | CAX | CAK | 179.9° | 179.8° |
| FAD | CAU | CAX | OAS | 0.1° | 0.0° |
| CAU | CAL | CAT | HAL | 180.0° | 179.9° |
| CAU | CAL | CAT | FAC | 179.4° | 180.0° |
| CAU | CAL | CAT | CAH | 0.2° | 0.0° |
| CAL | CAU | CAX | CAK | 0.0° | 0.5° |
| CAL | CAU | CAX | OAS | 179.8° | 179.7° |
| CAX | CAU | CAL | CAT | 0.2° | 0.3° |
| CAX | CAU | CAL | HAL | 179.8° | 179.7° |
| CAU | CAX | CAK | CAH | 0.1° | 0.4° |
| CAU | CAX | CAK | OAS | 179.8° | 179.8° |
| CAU | CAX | CAK | HAK | 179.9° | 179.7° |
| CAU | CAX | OAS | CAW | 73.7° | 86.1° |
| CAL | CAT | FAC | CAH | 179.7° | 180.0° |
| CAL | CAT | CAH | CAK | 0.1° | 0.1° |
| CAL | CAT | CAH | HAH | 179.9° | 180.0° |
| HAL | CAL | CAT | FAC | 0.6° | 0.1° |
| HAL | CAL | CAT | CAH | 179.8° | 179.9° |
| FAC | CAT | CAH | CAK | 179.6° | 179.9° |
| FAC | CAT | CAH | HAH | 0.4° | 0.0° |
| CAT | CAH | CAK | HAH | 180.0° | 180.0° |
| CAT | CAH | CAK | CAX | 0.1° | 0.2° |
| CAT | CAH | CAK | HAK | 179.9° | 180.0° |
| CAH | CAK | CAX | HAK | 180.0° | 179.8° |
| CAH | CAK | CAX | OAS | 179.9° | 179.8° |
| HAH | CAH | CAK | CAX | 179.9° | 179.8° |
| HAH | CAH | CAK | HAK | 0.1° | 0.1° |
| CAK | CAX | OAS | CAW | 106.5° | 93.7° |
| HAK | CAK | CAX | OAS | 0.1° | 0.0° |
| CAX | OAS | CAW | NAP | 0.5° | 1.9° |
| CAX | OAS | CAW | NAO | 179.1° | 177.7° |
| OAS | CAW | NAP | NAO | 179.6° | 179.7° |
| OAS | CAW | NAP | CBB | 179.7° | 180.0° |
| OAS | CAW | NAO | CAZ | 179.9° | 180.0° |
| NAP | CAW | NAO | CAZ | 0.2° | 0.3° |
| CAW | NAP | CBB | CBC | 0.1° | 0.1° |
| CAW | NAP | CBB | NAR | 179.9° | 180.0° |
| NAO | CAW | NAP | CBB | 0.0° | 0.3° |
| CAW | NAO | CAZ | NAQ | 179.5° | 180.0° |
| CAW | NAO | CAZ | CBC | 0.4° | 0.0° |
| NAP | CBB | CBC | CAZ | 0.1° | 0.2° |
| NAP | CBB | CBC | NAR | 179.9° | 179.9° |
| NAP | CBB | CBC | CBA | 179.6° | 180.0° |
| NAP | CBB | NAR | NAN | 180.0° | 179.9° |
| NAP | CBB | NAR | H16 | 0.0° | 0.1° |
| NAO | CAZ | NAQ | CBC | 179.8° | 180.0° |
| NAO | CAZ | NAQ | CAM | 0.8° | 4.5° |
| NAO | CAZ | NAQ | HNAQ | 119.2° | 175.5° |
| NAO | CAZ | CBC | CBB | 0.3° | 0.2° |
| NAO | CAZ | CBC | CBA | 179.6° | 180.0° |
| CAZ | NAQ | CAM | HNAQ | 120.0° | 180.0° |
| CAZ | NAQ | CAM | CBD | 71.8° | 180.0° |
| CAZ | NAQ | CAM | HAM | 48.2° | 60.0° |
| CAZ | NAQ | CAM | HAMA | 167.2° | 60.0° |
| NAQ | CAZ | CBC | CBB | 179.6° | 179.8° |
| NAQ | CAZ | CBC | CBA | 0.2° | 0.1° |
| CBC | CAZ | NAQ | CAM | 179.1° | 175.5° |
| CBC | CAZ | NAQ | HNAQ | 60.9° | 4.5° |
| CAZ | CBC | CBB | CBA | 179.5° | 179.9° |
| CAZ | CBC | CBB | NAR | 179.8° | 179.7° |
| CAZ | CBC | CBA | NAN | 179.9° | 179.7° |
| CAZ | CBC | CBA | CAY | 1.7° | 0.1° |
| NAQ | CAM | CBD | HAM | 120.0° | 120.1° |
| NAQ | CAM | CBD | HAMA | 121.0° | 120.0° |
| NAQ | CAM | HAM | HAMA | 121.0° | 120.0° |
| NAQ | CAM | CBD | OAB | 171.5° | 65.0° |
| NAQ | CAM | CBD | CAA | 65.2° | 175.0° |
| NAQ | CAM | CBD | HBD | 52.7° | 55.0° |
| HNAQ | NAQ | CAM | CBD | 168.2° | 0.0° |
| HNAQ | NAQ | CAM | HAM | 71.8° | 120.0° |
| HNAQ | NAQ | CAM | HAMA | 47.2° | 120.0° |
| CBD | CAM | HAM | HAMA | 121.1° | 119.9° |
| CAM | CBD | OAB | CAA | 126.7° | 120.0° |
| CAM | CBD | OAB | HBD | 114.8° | 120.0° |
| CAM | CBD | CAA | HBD | 114.6° | 120.0° |
| CAM | CBD | OAB | HOAB | 12.4° | 180.0° |
| CAM | CBD | CAA | HAA | 145.6° | 60.0° |
| CAM | CBD | CAA | HAAA | 94.4° | 60.0° |
| CAM | CBD | CAA | HAAB | 25.6° | 180.0° |
| HAM | CAM | CBD | OAB | 51.5° | 55.1° |
| HAM | CAM | CBD | CAA | 174.7° | 64.9° |
| HAM | CAM | CBD | HBD | 67.3° | 175.1° |
| HAMA | CAM | CBD | OAB | 67.5° | 175.0° |
| HAMA | CAM | CBD | CAA | 55.8° | 55.0° |
| HAMA | CAM | CBD | HBD | 173.7° | 65.0° |
| OAB | CBD | CAA | HBD | 119.4° | 120.0° |
| OAB | CBD | CAA | HAA | 88.4° | 60.0° |
| OAB | CBD | CAA | HAAA | 31.6° | 180.0° |
| OAB | CBD | CAA | HAAB | 151.6° | 60.0° |
| CAA | CBD | OAB | HOAB | 139.1° | 60.0° |
| CBD | CAA | HAA | HAAA | 120.0° | 120.0° |
| CBD | CAA | HAA | HAAB | 120.0° | 120.0° |
| CBD | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HBD | CBD | OAB | HOAB | 102.4° | 60.0° |
| HBD | CBD | CAA | HAA | 30.9° | 180.0° |
| HBD | CBD | CAA | HAAA | 151.0° | 60.0° |
| HBD | CBD | CAA | HAAB | 89.0° | 60.0° |
| HAA | CAA | HAAA | HAAB | 119.9° | 120.0° |
| CBC | CBB | NAR | NAN | 0.1° | 0.1° |
| CBB | CBC | CBA | NAN | 0.6° | 0.2° |
| CBB | CBC | CBA | CAY | 178.9° | 179.8° |
| CBC | CBB | NAR | H16 | 179.9° | 180.0° |
| CBA | CBC | CBB | NAR | 0.3° | 0.1° |
| CBC | CBA | NAN | NAR | 0.6° | 0.1° |
| CBC | CBA | NAN | CAY | 178.5° | 179.6° |
| CBC | CBA | CAY | CAV | 67.6° | 123.5° |
| CBC | CBA | CAY | CAJ | 113.9° | 56.8° |
| CBB | NAR | NAN | H16 | 180.0° | 179.9° |
| CBB | NAR | NAN | CBA | 0.5° | 0.1° |
| NAR | NAN | CBA | CAY | 179.2° | 179.7° |
| NAN | CBA | CAY | CAV | 114.2° | 57.0° |
| NAN | CBA | CAY | CAJ | 64.3° | 122.8° |
| CBA | NAN | NAR | H16 | 179.5° | 179.8° |
| CBA | CAY | CAV | CAJ | 178.5° | 179.7° |
| CBA | CAY | CAV | CLAE | 1.3° | 0.0° |
| CBA | CAY | CAV | CAI | 179.4° | 180.0° |
| CBA | CAY | CAJ | CAG | 179.5° | 180.0° |
| CBA | CAY | CAJ | HAJ | 0.5° | 0.0° |
| CAY | CAV | CLAE | CAI | 179.4° | 180.0° |
| CAV | CAY | CAJ | CAG | 1.0° | 0.3° |
| CAV | CAY | CAJ | HAJ | 179.0° | 179.7° |
| CAY | CAV | CAI | CAF | 0.4° | 0.0° |
| CAY | CAV | CAI | HAI | 179.6° | 179.9° |
| CAJ | CAY | CAV | CLAE | 179.7° | 179.7° |
| CAJ | CAY | CAV | CAI | 0.9° | 0.3° |
| CAY | CAJ | CAG | HAJ | 180.0° | 180.0° |
| CAY | CAJ | CAG | CAF | 0.6° | 0.0° |
| CAY | CAJ | CAG | HAG | 179.4° | 180.0° |
| CLAE | CAV | CAI | CAF | 179.8° | 180.0° |
| CLAE | CAV | CAI | HAI | 0.2° | 0.1° |
| CAV | CAI | CAF | CAG | 0.0° | 0.3° |
| CAV | CAI | CAF | HAI | 180.0° | 180.0° |
| CAV | CAI | CAF | HAF | 180.0° | 179.9° |
| CAJ | CAG | CAF | HAG | 180.0° | 180.0° |
| CAJ | CAG | CAF | CAI | 0.1° | 0.3° |
| CAJ | CAG | CAF | HAF | 179.9° | 179.9° |
| HAJ | CAJ | CAG | CAF | 179.4° | 180.0° |
| HAJ | CAJ | CAG | HAG | 0.6° | 0.0° |
| CAG | CAF | CAI | HAF | 180.0° | 179.7° |
| CAG | CAF | CAI | HAI | 180.0° | 179.8° |
| HAG | CAG | CAF | CAI | 179.9° | 179.7° |
| HAG | CAG | CAF | HAF | 0.1° | 0.1° |
| HAF | CAF | CAI | HAI | 0.0° | 0.1° |
