A3F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | OAO | sing | 1.43Å | 1.47Å | |
| CAB | OAP | sing | 1.43Å | 1.43Å | |
| CAC | OAQ | sing | 1.43Å | 1.42Å | |
| NAD | CAS | sing | 1.39Å | 1.33Å | |
| OAE | CAR | sing | 1.36Å | 1.36Å | |
| CAF | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | CAR | sing | 1.39Å | 1.39Å | Aromatic |
| CAH | CAT | doub | 1.39Å | 1.39Å | Aromatic |
| CAI | NAN | doub | 1.32Å | 1.31Å | Aromatic |
| CAI | CAU | sing | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAR | doub | 1.39Å | 1.38Å | Aromatic |
| CAJ | CAT | sing | 1.39Å | 1.38Å | Aromatic |
| CAK | CAV | doub | 1.39Å | 1.40Å | Aromatic |
| CAK | CAW | sing | 1.38Å | 1.40Å | Aromatic |
| CAL | CAV | sing | 1.39Å | 1.39Å | Aromatic |
| CAL | CAX | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | CAU | doub | 1.40Å | 1.40Å | Aromatic |
| CAM | CAY | sing | 1.39Å | 1.40Å | Aromatic |
| NAN | CAS | sing | 1.32Å | 1.34Å | Aromatic |
| OAO | CAW | sing | 1.36Å | 1.40Å | |
| OAP | CAX | sing | 1.36Å | 1.36Å | |
| OAQ | CAZ | sing | 1.36Å | 1.36Å | |
| CAS | CAY | doub | 1.40Å | 1.38Å | Aromatic |
| CAT | CAU | sing | 1.48Å | 1.41Å | Aromatic |
| CAV | CAY | sing | 1.48Å | 1.42Å | Aromatic |
| CAW | CAZ | doub | 1.39Å | 1.39Å | Aromatic |
| CAX | CAZ | sing | 1.39Å | 1.39Å | Aromatic |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAC | HACB | sing | 1.09Å | 1.10Å | |
| NAD | HNAD | sing | 0.97Å | 1.00Å | |
| NAD | HNAA | sing | 0.97Å | 1.00Å | |
| OAE | HOAE | sing | 0.97Å | 0.95Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | OAO | CAW | 120.0° | 117.0° |
| OAO | CAA | HAA | 109.5° | 109.5° |
| OAO | CAA | HAAA | 109.5° | 109.5° |
| OAO | CAA | HAAB | 109.4° | 109.5° |
| CAB | OAP | CAX | 116.1° | 117.0° |
| OAP | CAB | HAB | 109.5° | 109.5° |
| OAP | CAB | HABA | 109.5° | 109.5° |
| OAP | CAB | HABB | 109.5° | 109.4° |
| CAC | OAQ | CAZ | 111.4° | 117.0° |
| OAQ | CAC | HAC | 109.5° | 109.5° |
| OAQ | CAC | HACA | 109.5° | 109.5° |
| OAQ | CAC | HACB | 109.5° | 109.5° |
| NAD | CAS | NAN | 120.6° | 119.6° |
| NAD | CAS | CAY | 118.7° | 119.7° |
| CAS | NAD | HNAD | 109.5° | 120.0° |
| CAS | NAD | HNAA | 109.4° | 119.9° |
| OAE | CAR | CAG | 120.5° | 120.0° |
| OAE | CAR | CAJ | 118.3° | 120.0° |
| CAR | OAE | HOAE | 109.5° | 114.0° |
| CAG | CAF | CAH | 121.1° | 120.1° |
| CAF | CAG | CAR | 117.8° | 120.2° |
| CAG | CAF | HAF | 119.4° | 120.0° |
| CAF | CAG | HAG | 121.1° | 119.8° |
| CAF | CAH | CAT | 119.9° | 120.0° |
| CAH | CAF | HAF | 119.4° | 119.9° |
| CAF | CAH | HAH | 120.1° | 120.0° |
| CAG | CAR | CAJ | 121.2° | 120.0° |
| CAR | CAG | HAG | 121.1° | 119.9° |
| CAH | CAT | CAJ | 118.8° | 119.8° |
| CAH | CAT | CAU | 122.8° | 120.1° |
| CAT | CAH | HAH | 120.0° | 120.0° |
| NAN | CAI | CAU | 119.2° | 121.0° |
| CAI | NAN | CAS | 123.9° | 121.9° |
| NAN | CAI | HAI | 120.4° | 119.5° |
| CAI | CAU | CAM | 118.5° | 119.2° |
| CAI | CAU | CAT | 119.3° | 120.4° |
| CAU | CAI | HAI | 120.4° | 119.5° |
| CAR | CAJ | CAT | 121.0° | 119.8° |
| CAR | CAJ | HAJ | 119.5° | 120.1° |
| CAJ | CAT | CAU | 118.1° | 120.1° |
| CAT | CAJ | HAJ | 119.5° | 120.1° |
| CAV | CAK | CAW | 122.1° | 120.0° |
| CAK | CAV | CAL | 118.3° | 119.9° |
| CAK | CAV | CAY | 121.0° | 120.0° |
| CAV | CAK | HAK | 119.0° | 120.0° |
| CAK | CAW | OAO | 122.9° | 120.0° |
| CAK | CAW | CAZ | 118.1° | 120.0° |
| CAW | CAK | HAK | 118.9° | 120.0° |
| CAV | CAL | CAX | 120.5° | 120.0° |
| CAL | CAV | CAY | 120.5° | 120.0° |
| CAV | CAL | HAL | 119.8° | 120.0° |
| CAL | CAX | OAP | 123.1° | 120.0° |
| CAL | CAX | CAZ | 120.2° | 120.0° |
| CAX | CAL | HAL | 119.8° | 120.0° |
| CAU | CAM | CAY | 120.6° | 118.3° |
| CAM | CAU | CAT | 121.7° | 120.4° |
| CAU | CAM | HAM | 119.7° | 120.8° |
| CAM | CAY | CAS | 117.0° | 119.0° |
| CAM | CAY | CAV | 120.7° | 120.5° |
| CAY | CAM | HAM | 119.7° | 120.9° |
| NAN | CAS | CAY | 120.5° | 120.7° |
| OAO | CAW | CAZ | 118.9° | 120.0° |
| OAP | CAX | CAZ | 116.8° | 120.0° |
| OAQ | CAZ | CAW | 121.0° | 120.0° |
| OAQ | CAZ | CAX | 118.2° | 119.9° |
| CAS | CAY | CAV | 122.3° | 120.5° |
| CAW | CAZ | CAX | 120.8° | 120.1° |
| HAA | CAA | HAAA | 109.5° | 109.4° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.4° |
| HAB | CAB | HABA | 109.5° | 109.5° |
| HAB | CAB | HABB | 109.4° | 109.4° |
| HABA | CAB | HABB | 109.5° | 109.4° |
| HAC | CAC | HACA | 109.5° | 109.4° |
| HAC | CAC | HACB | 109.5° | 109.4° |
| HACA | CAC | HACB | 109.5° | 109.5° |
| HNAD | NAD | HNAA | 109.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | OAO | CAW | CAK | 15.1° | 0.0° |
| CAA | OAO | CAW | CAZ | 165.1° | 180.0° |
| OAO | CAA | HAA | HAAA | 120.0° | 120.0° |
| OAO | CAA | HAA | HAAB | 120.0° | 120.0° |
| OAO | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAB | OAP | CAX | CAL | 5.1° | 0.1° |
| CAB | OAP | CAX | CAZ | 174.5° | 179.9° |
| OAP | CAB | HAB | HABA | 120.0° | 120.1° |
| OAP | CAB | HAB | HABB | 120.0° | 120.0° |
| OAP | CAB | HABA | HABB | 120.0° | 119.9° |
| CAC | OAQ | CAZ | CAW | 90.5° | 90.0° |
| CAC | OAQ | CAZ | CAX | 89.0° | 90.0° |
| OAQ | CAC | HAC | HACA | 120.0° | 120.0° |
| OAQ | CAC | HAC | HACB | 120.0° | 120.0° |
| OAQ | CAC | HACA | HACB | 120.0° | 120.1° |
| NAD | CAS | NAN | CAI | 174.6° | 180.0° |
| NAD | CAS | CAY | CAM | 176.3° | 180.0° |
| NAD | CAS | NAN | CAY | 174.0° | 180.0° |
| NAD | CAS | CAY | CAV | 5.0° | 0.0° |
| CAS | NAD | HNAD | HNAA | 120.0° | 179.9° |
| OAE | CAR | CAG | CAF | 177.4° | 180.0° |
| OAE | CAR | CAG | CAJ | 177.9° | 180.0° |
| OAE | CAR | CAJ | CAT | 179.4° | 180.0° |
| OAE | CAR | CAG | HAG | 2.7° | 0.0° |
| OAE | CAR | CAJ | HAJ | 0.6° | 0.1° |
| CAG | CAF | CAH | HAF | 180.0° | 179.8° |
| CAF | CAG | CAR | HAG | 180.0° | 180.0° |
| CAG | CAF | CAH | CAT | 2.1° | 0.1° |
| CAF | CAG | CAR | CAJ | 0.5° | 0.0° |
| CAG | CAF | CAH | HAH | 177.9° | 180.0° |
| CAH | CAF | CAG | CAR | 0.2° | 0.1° |
| CAF | CAH | CAT | HAH | 180.0° | 179.9° |
| CAF | CAH | CAT | CAJ | 4.1° | 0.0° |
| CAF | CAH | CAT | CAU | 177.0° | 180.0° |
| CAH | CAF | CAG | HAG | 179.8° | 179.9° |
| CAG | CAR | CAJ | CAT | 1.5° | 0.0° |
| CAG | CAR | OAE | HOAE | 180.0° | 90.0° |
| CAR | CAG | CAF | HAF | 179.8° | 179.7° |
| CAG | CAR | CAJ | HAJ | 178.5° | 180.0° |
| CAH | CAT | CAU | CAI | 38.5° | 180.0° |
| CAH | CAT | CAJ | CAR | 3.8° | 0.0° |
| CAH | CAT | CAJ | CAU | 173.3° | 180.0° |
| CAH | CAT | CAU | CAM | 149.0° | 0.1° |
| CAT | CAH | CAF | HAF | 177.8° | 179.7° |
| CAH | CAT | CAJ | HAJ | 176.2° | 180.0° |
| NAN | CAI | CAU | HAI | 180.0° | 179.8° |
| NAN | CAI | CAU | CAM | 6.0° | 0.0° |
| CAI | NAN | CAS | CAY | 0.6° | 0.0° |
| NAN | CAI | CAU | CAT | 178.7° | 180.0° |
| CAI | CAU | CAT | CAJ | 134.5° | 0.0° |
| CAI | CAU | CAM | CAT | 172.5° | 179.9° |
| CAI | CAU | CAM | CAY | 4.4° | 0.0° |
| CAU | CAI | NAN | CAS | 3.6° | 0.0° |
| CAI | CAU | CAM | HAM | 175.6° | 180.0° |
| CAR | CAJ | CAT | HAJ | 180.0° | 180.0° |
| CAR | CAJ | CAT | CAU | 177.1° | 180.0° |
| CAJ | CAR | OAE | HOAE | 2.1° | 90.0° |
| CAJ | CAR | CAG | HAG | 179.5° | 180.0° |
| CAJ | CAT | CAU | CAM | 38.0° | 180.0° |
| CAJ | CAT | CAH | HAH | 175.9° | 180.0° |
| CAV | CAK | CAW | HAK | 180.0° | 179.8° |
| CAK | CAV | CAL | CAY | 175.4° | 179.9° |
| CAK | CAV | CAL | CAX | 1.9° | 0.0° |
| CAK | CAV | CAY | CAM | 125.4° | 130.0° |
| CAV | CAK | CAW | OAO | 178.8° | 179.9° |
| CAK | CAV | CAY | CAS | 53.2° | 50.1° |
| CAV | CAK | CAW | CAZ | 1.1° | 0.1° |
| CAK | CAV | CAL | HAL | 178.2° | 180.0° |
| CAW | CAK | CAV | CAL | 1.2° | 0.1° |
| CAK | CAW | OAO | CAZ | 179.8° | 180.0° |
| CAK | CAW | CAZ | OAQ | 179.0° | 180.0° |
| CAW | CAK | CAV | CAY | 176.6° | 180.0° |
| CAK | CAW | CAZ | CAX | 1.6° | 0.0° |
| CAV | CAL | CAX | HAL | 180.0° | 180.0° |
| CAL | CAV | CAY | CAM | 49.9° | 50.0° |
| CAV | CAL | CAX | OAP | 177.9° | 180.0° |
| CAL | CAV | CAY | CAS | 131.5° | 130.0° |
| CAV | CAL | CAX | CAZ | 2.4° | 0.0° |
| CAL | CAV | CAK | HAK | 178.8° | 179.7° |
| CAL | CAX | OAP | CAZ | 179.7° | 180.0° |
| CAL | CAX | CAZ | OAQ | 178.3° | 180.0° |
| CAX | CAL | CAV | CAY | 177.3° | 180.0° |
| CAL | CAX | CAZ | CAW | 2.2° | 0.0° |
| CAU | CAM | CAY | HAM | 180.0° | 180.0° |
| CAU | CAM | CAY | CAS | 0.3° | 0.0° |
| CAU | CAM | CAY | CAV | 178.4° | 180.0° |
| CAM | CAU | CAI | HAI | 174.0° | 179.8° |
| CAM | CAY | CAS | NAN | 2.2° | 0.0° |
| CAM | CAY | CAS | CAV | 178.7° | 180.0° |
| CAY | CAM | CAU | CAT | 176.9° | 180.0° |
| NAN | CAS | CAY | CAV | 179.1° | 180.0° |
| NAN | CAS | NAD | HNAD | 0.0° | 0.1° |
| NAN | CAS | NAD | HNAA | 120.0° | 180.0° |
| CAS | NAN | CAI | HAI | 176.4° | 179.8° |
| OAO | CAW | CAZ | OAQ | 1.2° | 0.0° |
| OAO | CAW | CAZ | CAX | 178.3° | 180.0° |
| CAW | OAO | CAA | HAA | 180.0° | 180.0° |
| CAW | OAO | CAA | HAAA | 60.0° | 60.0° |
| CAW | OAO | CAA | HAAB | 60.0° | 60.0° |
| OAO | CAW | CAK | HAK | 1.2° | 0.2° |
| OAP | CAX | CAZ | OAQ | 1.4° | 0.0° |
| OAP | CAX | CAZ | CAW | 178.1° | 180.0° |
| CAX | OAP | CAB | HAB | 180.0° | 180.0° |
| CAX | OAP | CAB | HABA | 60.0° | 59.9° |
| CAX | OAP | CAB | HABB | 60.0° | 60.0° |
| OAP | CAX | CAL | HAL | 2.1° | 0.0° |
| OAQ | CAZ | CAW | CAX | 179.4° | 180.0° |
| CAZ | OAQ | CAC | HAC | 180.0° | 180.0° |
| CAZ | OAQ | CAC | HACA | 60.0° | 60.0° |
| CAZ | OAQ | CAC | HACB | 60.0° | 60.0° |
| CAY | CAS | NAD | HNAD | 174.1° | 180.0° |
| CAY | CAS | NAD | HNAA | 65.9° | 0.1° |
| CAS | CAY | CAM | HAM | 179.7° | 180.0° |
| CAU | CAT | CAH | HAH | 3.0° | 0.0° |
| CAT | CAU | CAI | HAI | 1.3° | 0.2° |
| CAU | CAT | CAJ | HAJ | 2.9° | 0.0° |
| CAT | CAU | CAM | HAM | 3.1° | 0.0° |
| CAY | CAV | CAK | HAK | 3.4° | 0.2° |
| CAY | CAV | CAL | HAL | 2.8° | 0.0° |
| CAV | CAY | CAM | HAM | 1.6° | 0.0° |
| CAZ | CAW | CAK | HAK | 178.9° | 179.7° |
| CAZ | CAX | CAL | HAL | 177.6° | 180.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAB | CAB | HABA | HABB | 119.9° | 120.0° |
| HAC | CAC | HACA | HACB | 120.0° | 120.0° |
| HAF | CAF | CAG | HAG | 0.2° | 0.3° |
| HAF | CAF | CAH | HAH | 2.1° | 0.2° |
