BSF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | SAP | doub | 1.42Å | 1.60Å | |
| OAB | SAP | doub | 1.42Å | 1.60Å | |
| OAC | BOR | sing | 1.42Å | 1.53Å | |
| OAD | BOR | sing | 1.42Å | 1.53Å | |
| CAF | CAG | doub | 1.38Å | 1.41Å | Aromatic |
| CAF | CAH | sing | 1.38Å | 1.41Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | CAI | sing | 1.38Å | 1.41Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAJ | doub | 1.38Å | 1.41Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAN | doub | 1.38Å | 1.42Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAN | sing | 1.38Å | 1.42Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | NAM | sing | 1.47Å | 1.48Å | |
| CAK | BOR | sing | 1.57Å | 1.64Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| CAL | CAN | sing | 1.51Å | 1.48Å | |
| CAL | SAP | sing | 1.81Å | 1.84Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| NAM | SAP | sing | 1.66Å | 1.77Å | |
| NAM | HNAM | sing | 0.97Å | 1.00Å | |
| OAC | H11 | sing | 0.97Å | 0.95Å | |
| OAD | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | SAP | OAB | 108.4° | 121.1° |
| OAA | SAP | CAL | 108.8° | 110.5° |
| OAA | SAP | NAM | 107.7° | 104.3° |
| OAB | SAP | CAL | 111.0° | 110.5° |
| OAB | SAP | NAM | 109.0° | 104.3° |
| OAC | BOR | OAD | 118.9° | 120.0° |
| OAC | BOR | CAK | 119.9° | 120.0° |
| BOR | OAC | H11 | 109.5° | 114.0° |
| OAD | BOR | CAK | 119.2° | 120.0° |
| BOR | OAD | H12 | 109.5° | 114.0° |
| CAG | CAF | CAH | 119.8° | 120.0° |
| CAG | CAF | HAF | 120.1° | 120.0° |
| CAF | CAG | CAI | 120.1° | 120.1° |
| CAF | CAG | HAG | 119.9° | 120.0° |
| CAH | CAF | HAF | 120.1° | 120.0° |
| CAF | CAH | CAJ | 120.2° | 120.0° |
| CAF | CAH | HAH | 119.9° | 120.0° |
| CAI | CAG | HAG | 119.9° | 120.0° |
| CAG | CAI | CAN | 120.6° | 120.0° |
| CAG | CAI | HAI | 119.7° | 120.0° |
| CAJ | CAH | HAH | 119.9° | 120.0° |
| CAH | CAJ | CAN | 120.6° | 120.0° |
| CAH | CAJ | HAJ | 119.7° | 120.0° |
| CAN | CAI | HAI | 119.7° | 120.0° |
| CAI | CAN | CAJ | 118.7° | 120.0° |
| CAI | CAN | CAL | 120.7° | 119.9° |
| CAN | CAJ | HAJ | 119.7° | 120.0° |
| CAJ | CAN | CAL | 120.7° | 120.1° |
| NAM | CAK | BOR | 111.0° | 109.5° |
| NAM | CAK | HAK | 109.0° | 109.5° |
| NAM | CAK | HAKA | 109.0° | 109.4° |
| CAK | NAM | SAP | 112.9° | 120.0° |
| CAK | NAM | HNAM | 108.4° | 120.0° |
| BOR | CAK | HAK | 109.0° | 109.5° |
| BOR | CAK | HAKA | 108.9° | 109.5° |
| HAK | CAK | HAKA | 109.9° | 109.5° |
| CAN | CAL | SAP | 111.6° | 109.4° |
| CAN | CAL | HAL | 108.7° | 109.4° |
| CAN | CAL | HALA | 108.8° | 109.5° |
| SAP | CAL | HAL | 108.8° | 109.5° |
| SAP | CAL | HALA | 108.8° | 109.5° |
| CAL | SAP | NAM | 111.8° | 104.4° |
| HAL | CAL | HALA | 110.2° | 109.5° |
| SAP | NAM | HNAM | 108.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | SAP | OAB | CAL | 119.5° | 131.5° |
| OAA | SAP | OAB | NAM | 117.0° | 116.8° |
| OAA | SAP | NAM | CAK | 174.1° | 51.0° |
| OAA | SAP | CAL | CAN | 96.4° | 68.4° |
| OAA | SAP | CAL | NAM | 118.9° | 111.6° |
| OAA | SAP | CAL | HAL | 23.6° | 171.7° |
| OAA | SAP | CAL | HALA | 143.6° | 51.6° |
| OAA | SAP | NAM | HNAM | 65.8° | 128.9° |
| OAB | SAP | NAM | CAK | 56.8° | 178.9° |
| OAB | SAP | CAL | CAN | 22.8° | 68.3° |
| OAB | SAP | CAL | NAM | 121.9° | 111.6° |
| OAB | SAP | CAL | HAL | 142.8° | 51.6° |
| OAB | SAP | CAL | HALA | 97.2° | 171.7° |
| OAB | SAP | NAM | HNAM | 176.8° | 1.0° |
| OAC | BOR | OAD | CAK | 164.0° | 180.0° |
| OAC | BOR | CAK | NAM | 41.8° | 94.9° |
| OAC | BOR | CAK | HAK | 161.8° | 25.1° |
| OAC | BOR | CAK | HAKA | 78.2° | 145.1° |
| OAC | BOR | OAD | H12 | 180.0° | 0.0° |
| OAD | BOR | CAK | NAM | 154.4° | 85.1° |
| OAD | BOR | CAK | HAK | 34.4° | 154.9° |
| OAD | BOR | CAK | HAKA | 85.5° | 34.9° |
| OAD | BOR | OAC | H11 | 180.0° | 174.9° |
| CAG | CAF | CAH | HAF | 180.0° | 179.6° |
| CAF | CAG | CAI | HAG | 180.0° | 179.9° |
| CAG | CAF | CAH | CAJ | 0.9° | 0.1° |
| CAG | CAF | CAH | HAH | 179.0° | 180.0° |
| CAF | CAG | CAI | CAN | 0.2° | 0.0° |
| CAF | CAG | CAI | HAI | 179.7° | 180.0° |
| CAH | CAF | CAG | CAI | 0.8° | 0.1° |
| CAH | CAF | CAG | HAG | 179.1° | 180.0° |
| CAF | CAH | CAJ | HAH | 180.0° | 179.8° |
| CAF | CAH | CAJ | CAN | 0.0° | 0.1° |
| CAF | CAH | CAJ | HAJ | 179.9° | 180.0° |
| HAF | CAF | CAG | CAI | 179.1° | 179.7° |
| HAF | CAF | CAG | HAG | 0.9° | 0.4° |
| HAF | CAF | CAH | CAJ | 179.1° | 179.8° |
| HAF | CAF | CAH | HAH | 1.0° | 0.4° |
| CAG | CAI | CAN | HAI | 180.0° | 180.0° |
| CAG | CAI | CAN | CAJ | 1.2° | 0.0° |
| CAG | CAI | CAN | CAL | 178.7° | 179.9° |
| HAG | CAG | CAI | CAN | 179.8° | 180.0° |
| HAG | CAG | CAI | HAI | 0.2° | 0.0° |
| CAH | CAJ | CAN | CAI | 1.1° | 0.1° |
| CAH | CAJ | CAN | HAJ | 180.0° | 179.9° |
| CAH | CAJ | CAN | CAL | 178.7° | 180.0° |
| HAH | CAH | CAJ | CAN | 180.0° | 180.0° |
| HAH | CAH | CAJ | HAJ | 0.0° | 0.1° |
| CAI | CAN | CAJ | CAL | 179.9° | 179.9° |
| CAI | CAN | CAJ | HAJ | 178.9° | 180.0° |
| CAI | CAN | CAL | SAP | 65.5° | 90.1° |
| CAI | CAN | CAL | HAL | 54.5° | 150.0° |
| CAI | CAN | CAL | HALA | 174.5° | 30.0° |
| HAI | CAI | CAN | CAJ | 178.8° | 180.0° |
| HAI | CAI | CAN | CAL | 1.4° | 0.1° |
| CAJ | CAN | CAL | SAP | 114.4° | 90.0° |
| CAJ | CAN | CAL | HAL | 125.6° | 29.9° |
| CAJ | CAN | CAL | HALA | 5.6° | 149.9° |
| HAJ | CAJ | CAN | CAL | 1.3° | 0.1° |
| NAM | CAK | BOR | HAK | 120.0° | 120.0° |
| NAM | CAK | BOR | HAKA | 120.0° | 120.0° |
| NAM | CAK | HAK | HAKA | 119.4° | 120.0° |
| CAK | NAM | SAP | CAL | 66.4° | 65.0° |
| CAK | NAM | SAP | HNAM | 120.0° | 180.0° |
| BOR | CAK | HAK | HAKA | 119.4° | 120.0° |
| BOR | CAK | NAM | SAP | 173.0° | 175.1° |
| BOR | CAK | NAM | HNAM | 67.0° | 4.9° |
| CAK | BOR | OAC | H11 | 16.2° | 5.0° |
| CAK | BOR | OAD | H12 | 16.0° | 180.0° |
| HAK | CAK | NAM | SAP | 67.0° | 55.1° |
| HAK | CAK | NAM | HNAM | 53.0° | 124.9° |
| HAKA | CAK | NAM | SAP | 53.0° | 64.8° |
| HAKA | CAK | NAM | HNAM | 173.0° | 115.1° |
| CAN | CAL | SAP | HAL | 120.0° | 119.9° |
| CAN | CAL | SAP | HALA | 120.0° | 120.0° |
| CAN | CAL | HAL | HALA | 119.1° | 120.0° |
| CAN | CAL | SAP | NAM | 144.7° | 179.9° |
| SAP | CAL | HAL | HALA | 119.1° | 120.1° |
| CAL | SAP | NAM | HNAM | 53.7° | 115.0° |
| HAL | CAL | SAP | NAM | 95.3° | 60.0° |
| HALA | CAL | SAP | NAM | 24.7° | 60.1° |
