SF1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAU | doub | 1.38Å | 1.41Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAF | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAD | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAG | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAK | CAU | sing | 1.38Å | 1.40Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAU | CAQ | sing | 1.51Å | 1.57Å | |
| CAQ | NBA | sing | 1.46Å | 1.48Å | |
| CAQ | HAQ1 | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ2 | sing | 1.09Å | 1.10Å | |
| NBA | CAZ | sing | 1.38Å | 1.35Å | Aromatic |
| NBA | CAX | sing | 1.39Å | 1.32Å | Aromatic |
| CAX | CAS | sing | 1.42Å | 1.50Å | |
| CAX | CAW | doub | 1.38Å | 1.37Å | Aromatic |
| CAS | OAA | doub | 1.22Å | 1.24Å | |
| CAS | OAB | sing | 1.35Å | 1.24Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| CAZ | CAO | sing | 1.39Å | 1.39Å | Aromatic |
| CAZ | CAY | doub | 1.41Å | 1.40Å | Aromatic |
| CAO | CAN | doub | 1.38Å | 1.40Å | Aromatic |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAN | CAT | sing | 1.39Å | 1.40Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAT | CLAC | sing | 1.74Å | 1.74Å | |
| CAT | CAP | doub | 1.37Å | 1.39Å | Aromatic |
| CAP | CAY | sing | 1.40Å | 1.39Å | Aromatic |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAY | CAW | sing | 1.47Å | 1.39Å | Aromatic |
| CAW | SAR | sing | 1.76Å | 1.75Å | |
| SAR | CAV | sing | 1.76Å | 1.78Å | |
| CAV | CAM | doub | 1.39Å | 1.40Å | Aromatic |
| CAV | CAL | sing | 1.39Å | 1.40Å | Aromatic |
| CAL | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAH | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAE | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAI | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | HAI | 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) |
| CAF | CAJ | CAU | 121.7° | 120.0° |
| CAF | CAJ | HAJ | 119.2° | 120.0° |
| CAJ | CAF | CAD | 119.1° | 120.0° |
| CAJ | CAF | HAF | 120.5° | 120.0° |
| CAU | CAJ | HAJ | 119.2° | 120.0° |
| CAJ | CAU | CAK | 118.5° | 120.0° |
| CAJ | CAU | CAQ | 121.3° | 120.0° |
| CAD | CAF | HAF | 120.4° | 120.0° |
| CAF | CAD | CAG | 119.8° | 120.0° |
| CAF | CAD | HAD | 120.1° | 120.0° |
| CAG | CAD | HAD | 120.1° | 120.0° |
| CAD | CAG | CAK | 121.0° | 120.0° |
| CAD | CAG | HAG | 119.5° | 120.0° |
| CAK | CAG | HAG | 119.5° | 120.0° |
| CAG | CAK | CAU | 119.9° | 119.9° |
| CAG | CAK | HAK | 120.0° | 120.0° |
| CAU | CAK | HAK | 120.0° | 120.0° |
| CAK | CAU | CAQ | 120.2° | 120.0° |
| CAU | CAQ | NBA | 107.9° | 109.5° |
| CAU | CAQ | HAQ1 | 110.0° | 109.5° |
| CAU | CAQ | HAQ2 | 110.4° | 109.5° |
| NBA | CAQ | HAQ1 | 110.0° | 109.5° |
| NBA | CAQ | HAQ2 | 110.3° | 109.5° |
| CAQ | NBA | CAZ | 126.1° | 125.0° |
| CAQ | NBA | CAX | 124.1° | 125.1° |
| HAQ1 | CAQ | HAQ2 | 108.2° | 109.5° |
| CAZ | NBA | CAX | 109.8° | 109.9° |
| NBA | CAZ | CAO | 132.5° | 132.8° |
| NBA | CAZ | CAY | 108.2° | 108.0° |
| NBA | CAX | CAS | 127.3° | 125.5° |
| NBA | CAX | CAW | 108.4° | 108.8° |
| CAS | CAX | CAW | 124.2° | 125.6° |
| CAX | CAS | OAA | 117.6° | 119.9° |
| CAX | CAS | OAB | 118.8° | 120.0° |
| CAX | CAW | CAY | 108.3° | 106.6° |
| CAX | CAW | SAR | 122.7° | 126.6° |
| OAA | CAS | OAB | 123.5° | 120.0° |
| CAS | OAB | HOAB | 109.5° | 114.0° |
| CAO | CAZ | CAY | 119.3° | 119.2° |
| CAZ | CAO | CAN | 119.9° | 119.9° |
| CAZ | CAO | HAO | 120.1° | 120.0° |
| CAZ | CAY | CAP | 121.1° | 120.0° |
| CAZ | CAY | CAW | 105.3° | 106.6° |
| CAN | CAO | HAO | 120.0° | 120.1° |
| CAO | CAN | CAT | 120.2° | 120.6° |
| CAO | CAN | HAN | 119.9° | 119.7° |
| CAT | CAN | HAN | 119.9° | 119.7° |
| CAN | CAT | CLAC | 119.4° | 119.7° |
| CAN | CAT | CAP | 120.2° | 120.5° |
| CLAC | CAT | CAP | 120.5° | 119.7° |
| CAT | CAP | CAY | 119.3° | 119.8° |
| CAT | CAP | HAP | 120.3° | 120.1° |
| CAY | CAP | HAP | 120.4° | 120.1° |
| CAP | CAY | CAW | 133.6° | 133.4° |
| CAY | CAW | SAR | 129.0° | 126.7° |
| CAW | SAR | CAV | 105.1° | 100.0° |
| SAR | CAV | CAM | 118.5° | 120.1° |
| SAR | CAV | CAL | 121.8° | 120.1° |
| CAM | CAV | CAL | 119.8° | 119.8° |
| CAV | CAM | CAI | 121.2° | 119.9° |
| CAV | CAM | HAM | 119.4° | 120.0° |
| CAV | CAL | CAH | 118.9° | 119.9° |
| CAV | CAL | HAL | 120.5° | 120.0° |
| CAH | CAL | HAL | 120.5° | 120.0° |
| CAL | CAH | CAE | 121.1° | 120.1° |
| CAL | CAH | HAH | 119.5° | 120.0° |
| CAE | CAH | HAH | 119.4° | 119.9° |
| CAH | CAE | CAI | 119.8° | 120.2° |
| CAH | CAE | HAE | 120.1° | 119.9° |
| CAI | CAE | HAE | 120.1° | 119.9° |
| CAE | CAI | CAM | 119.2° | 120.1° |
| CAE | CAI | HAI | 120.4° | 119.9° |
| CAM | CAI | HAI | 120.4° | 120.0° |
| CAI | CAM | HAM | 119.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAJ | CAU | HAJ | 180.0° | 179.7° |
| CAJ | CAF | CAD | HAF | 180.0° | 180.0° |
| CAJ | CAF | CAD | CAG | 0.1° | 0.0° |
| CAJ | CAF | CAD | HAD | 179.9° | 180.0° |
| CAF | CAJ | CAU | CAK | 0.7° | 0.0° |
| CAF | CAJ | CAU | CAQ | 179.6° | 180.0° |
| CAU | CAJ | CAF | CAD | 0.2° | 0.0° |
| CAU | CAJ | CAF | HAF | 179.9° | 180.0° |
| CAJ | CAU | CAK | CAG | 1.0° | 0.1° |
| CAJ | CAU | CAK | CAQ | 178.9° | 180.0° |
| CAJ | CAU | CAK | HAK | 179.0° | 179.9° |
| CAJ | CAU | CAQ | NBA | 12.2° | 89.9° |
| CAJ | CAU | CAQ | HAQ1 | 107.8° | 150.1° |
| CAJ | CAU | CAQ | HAQ2 | 132.8° | 30.1° |
| HAJ | CAJ | CAF | CAD | 179.8° | 179.7° |
| HAJ | CAJ | CAF | HAF | 0.1° | 0.3° |
| HAJ | CAJ | CAU | CAK | 179.3° | 179.6° |
| HAJ | CAJ | CAU | CAQ | 0.4° | 0.3° |
| CAF | CAD | CAG | HAD | 180.0° | 180.0° |
| CAF | CAD | CAG | CAK | 0.2° | 0.0° |
| CAF | CAD | CAG | HAG | 179.7° | 179.9° |
| HAF | CAF | CAD | CAG | 179.9° | 180.0° |
| HAF | CAF | CAD | HAD | 0.1° | 0.1° |
| CAD | CAG | CAK | HAG | 180.0° | 180.0° |
| CAD | CAG | CAK | CAU | 0.8° | 0.1° |
| CAD | CAG | CAK | HAK | 179.2° | 179.9° |
| HAD | CAD | CAG | CAK | 179.8° | 180.0° |
| HAD | CAD | CAG | HAG | 0.2° | 0.0° |
| CAG | CAK | CAU | HAK | 180.0° | 179.8° |
| CAG | CAK | CAU | CAQ | 179.9° | 179.9° |
| HAG | CAG | CAK | CAU | 179.2° | 179.9° |
| HAG | CAG | CAK | HAK | 0.8° | 0.0° |
| CAK | CAU | CAQ | NBA | 168.9° | 90.1° |
| CAK | CAU | CAQ | HAQ1 | 71.0° | 29.9° |
| CAK | CAU | CAQ | HAQ2 | 48.3° | 149.9° |
| HAK | CAK | CAU | CAQ | 0.1° | 0.1° |
| CAU | CAQ | NBA | HAQ1 | 120.0° | 120.0° |
| CAU | CAQ | NBA | HAQ2 | 120.6° | 120.0° |
| CAU | CAQ | HAQ1 | HAQ2 | 120.7° | 120.0° |
| CAU | CAQ | NBA | CAZ | 83.5° | 90.0° |
| CAU | CAQ | NBA | CAX | 93.8° | 89.7° |
| NBA | CAQ | HAQ1 | HAQ2 | 120.6° | 120.0° |
| CAQ | NBA | CAZ | CAX | 177.6° | 179.8° |
| CAQ | NBA | CAX | CAS | 2.6° | 0.1° |
| CAQ | NBA | CAX | CAW | 178.7° | 180.0° |
| CAQ | NBA | CAZ | CAO | 2.3° | 0.0° |
| CAQ | NBA | CAZ | CAY | 178.3° | 180.0° |
| HAQ1 | CAQ | NBA | CAZ | 36.5° | 30.0° |
| HAQ1 | CAQ | NBA | CAX | 146.2° | 150.3° |
| HAQ2 | CAQ | NBA | CAZ | 155.8° | 150.0° |
| HAQ2 | CAQ | NBA | CAX | 26.9° | 30.3° |
| CAZ | NBA | CAX | CAS | 179.7° | 179.7° |
| CAZ | NBA | CAX | CAW | 1.0° | 0.2° |
| NBA | CAZ | CAO | CAY | 179.3° | 179.9° |
| NBA | CAZ | CAO | CAN | 179.4° | 180.0° |
| NBA | CAZ | CAO | HAO | 0.6° | 0.0° |
| NBA | CAZ | CAY | CAP | 179.1° | 180.0° |
| NBA | CAZ | CAY | CAW | 0.0° | 0.1° |
| NBA | CAX | CAS | CAW | 178.5° | 179.9° |
| NBA | CAX | CAS | OAA | 164.1° | 180.0° |
| NBA | CAX | CAS | OAB | 17.1° | 0.1° |
| CAX | NBA | CAZ | CAO | 180.0° | 179.7° |
| CAX | NBA | CAZ | CAY | 0.6° | 0.2° |
| NBA | CAX | CAW | CAY | 1.0° | 0.1° |
| NBA | CAX | CAW | SAR | 179.5° | 180.0° |
| CAX | CAS | OAA | OAB | 178.7° | 180.0° |
| CAX | CAS | OAB | HOAB | 178.7° | 180.0° |
| CAS | CAX | CAW | CAY | 179.8° | 179.8° |
| CAS | CAX | CAW | SAR | 1.8° | 0.2° |
| CAW | CAX | CAS | OAA | 17.4° | 0.1° |
| CAW | CAX | CAS | OAB | 161.4° | 179.9° |
| CAX | CAW | CAY | CAZ | 0.6° | 0.0° |
| CAX | CAW | CAY | CAP | 179.6° | 179.8° |
| CAX | CAW | CAY | SAR | 178.3° | 179.9° |
| CAX | CAW | SAR | CAV | 120.1° | 90.1° |
| OAA | CAS | OAB | HOAB | 0.0° | 0.0° |
| CAZ | CAO | CAN | HAO | 180.0° | 180.0° |
| CAZ | CAO | CAN | CAT | 0.5° | 0.0° |
| CAZ | CAO | CAN | HAN | 179.5° | 180.0° |
| CAO | CAZ | CAY | CAP | 0.3° | 0.0° |
| CAO | CAZ | CAY | CAW | 179.5° | 179.8° |
| CAY | CAZ | CAO | CAN | 0.1° | 0.0° |
| CAY | CAZ | CAO | HAO | 180.0° | 180.0° |
| CAZ | CAY | CAP | CAT | 0.3° | 0.0° |
| CAZ | CAY | CAP | CAW | 178.8° | 179.7° |
| CAZ | CAY | CAP | HAP | 179.7° | 180.0° |
| CAZ | CAY | CAW | SAR | 178.9° | 179.9° |
| CAO | CAN | CAT | HAN | 180.0° | 180.0° |
| CAO | CAN | CAT | CLAC | 178.8° | 180.0° |
| CAO | CAN | CAT | CAP | 0.6° | 0.0° |
| HAO | CAO | CAN | CAT | 179.5° | 180.0° |
| HAO | CAO | CAN | HAN | 0.5° | 0.0° |
| CAN | CAT | CLAC | CAP | 178.2° | 180.0° |
| CAN | CAT | CAP | CAY | 0.2° | 0.0° |
| CAN | CAT | CAP | HAP | 179.8° | 180.0° |
| HAN | CAN | CAT | CLAC | 1.2° | 0.0° |
| HAN | CAN | CAT | CAP | 179.4° | 180.0° |
| CLAC | CAT | CAP | CAY | 178.4° | 180.0° |
| CLAC | CAT | CAP | HAP | 1.7° | 0.0° |
| CAT | CAP | CAY | HAP | 180.0° | 180.0° |
| CAT | CAP | CAY | CAW | 179.1° | 179.8° |
| CAP | CAY | CAW | SAR | 2.1° | 0.1° |
| HAP | CAP | CAY | CAW | 0.9° | 0.2° |
| CAY | CAW | SAR | CAV | 61.9° | 89.8° |
| CAW | SAR | CAV | CAM | 163.5° | 180.0° |
| CAW | SAR | CAV | CAL | 17.0° | 0.3° |
| SAR | CAV | CAM | CAL | 179.6° | 179.7° |
| SAR | CAV | CAL | CAH | 179.9° | 179.9° |
| SAR | CAV | CAL | HAL | 0.1° | 0.0° |
| SAR | CAV | CAM | CAI | 179.9° | 179.7° |
| SAR | CAV | CAM | HAM | 0.1° | 0.1° |
| CAM | CAV | CAL | CAH | 0.5° | 0.3° |
| CAM | CAV | CAL | HAL | 179.4° | 179.8° |
| CAV | CAM | CAI | CAE | 0.1° | 0.6° |
| CAV | CAM | CAI | HAM | 180.0° | 179.8° |
| CAV | CAM | CAI | HAI | 179.8° | 179.7° |
| CAV | CAL | CAH | HAL | 180.0° | 179.9° |
| CAV | CAL | CAH | CAE | 0.5° | 0.1° |
| CAV | CAL | CAH | HAH | 179.5° | 180.0° |
| CAL | CAV | CAM | CAI | 0.4° | 0.6° |
| CAL | CAV | CAM | HAM | 179.6° | 179.6° |
| CAL | CAH | CAE | HAH | 180.0° | 179.9° |
| CAL | CAH | CAE | CAI | 0.2° | 0.1° |
| CAL | CAH | CAE | HAE | 179.8° | 180.0° |
| HAL | CAL | CAH | CAE | 179.5° | 180.0° |
| HAL | CAL | CAH | HAH | 0.5° | 0.1° |
| CAH | CAE | CAI | HAE | 180.0° | 179.9° |
| CAH | CAE | CAI | CAM | 0.1° | 0.4° |
| CAH | CAE | CAI | HAI | 179.9° | 179.9° |
| HAH | CAH | CAE | CAI | 179.8° | 180.0° |
| HAH | CAH | CAE | HAE | 0.2° | 0.1° |
| CAE | CAI | CAM | HAI | 180.0° | 179.8° |
| CAE | CAI | CAM | HAM | 179.8° | 179.6° |
| HAE | CAE | CAI | CAM | 179.9° | 179.7° |
| HAE | CAE | CAI | HAI | 0.1° | 0.0° |
| HAI | CAI | CAM | HAM | 0.2° | 0.1° |
